smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(OC(F)F)c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000756897380 722971478 /nfs/dbraw/zinc/97/14/78/722971478.db2.gz ZGSMKFDDZFOJFR-OAHLLOKOSA-N 0 3 352.337 3.328 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000735490777 722516740 /nfs/dbraw/zinc/51/67/40/722516740.db2.gz QNJBKRTXXMVNTF-UHFFFAOYSA-N 0 3 367.877 3.183 20 5 FGBDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791579538 723260639 /nfs/dbraw/zinc/26/06/39/723260639.db2.gz RBUHTOCVEAZZSA-GXSJLCMTSA-N 0 3 363.311 3.335 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)C(C)(C)C ZINC000772979063 723773711 /nfs/dbraw/zinc/77/37/11/723773711.db2.gz KKKWFJWMRMIIER-CYBMUJFWSA-N 0 3 374.528 3.268 20 5 FGBDHN C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000777945149 724273869 /nfs/dbraw/zinc/27/38/69/724273869.db2.gz XWCBUEZMFZWOTI-CHWSQXEVSA-N 0 3 355.385 3.066 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000811812435 725381239 /nfs/dbraw/zinc/38/12/39/725381239.db2.gz RLESRJAMJHHMJG-ZJUUUORDSA-N 0 3 353.806 3.072 20 5 FGBDHN CC(COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)[N+](=O)[O-] ZINC000813100135 726838591 /nfs/dbraw/zinc/83/85/91/726838591.db2.gz NLWNNVWVRUEVBO-MRVPVSSYSA-N 0 3 372.164 3.398 20 5 FGBDHN Cc1ccccc1-n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C(F)(F)F ZINC000813112998 726840181 /nfs/dbraw/zinc/84/01/81/726840181.db2.gz NMHDRSULNXPQCH-JTQLQIEISA-N 0 3 357.288 3.022 20 5 FGBDHN Cc1cc(Cl)c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000825594877 729388828 /nfs/dbraw/zinc/38/88/28/729388828.db2.gz IIOJFCZQKOPKFJ-CYBMUJFWSA-N 0 3 353.850 3.407 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[S@@](=O)CC(F)(F)F)CCCC2 ZINC000850493788 731363589 /nfs/dbraw/zinc/36/35/89/731363589.db2.gz KNMVZCXIFGCDIH-JBEBIEQOSA-N 0 3 364.389 3.263 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCC2)cc1Cl ZINC000863031716 732906773 /nfs/dbraw/zinc/90/67/73/732906773.db2.gz ITDMODUGSTYJJH-CYBMUJFWSA-N 0 3 351.834 3.303 20 5 FGBDHN CN1CCN(C2CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866211525 733324734 /nfs/dbraw/zinc/32/47/34/733324734.db2.gz JDVPJJIPUPHLLU-UHFFFAOYSA-N 0 3 373.284 3.118 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CS(C)(=O)=O)CCC1 ZINC000872078268 735585918 /nfs/dbraw/zinc/58/59/18/735585918.db2.gz AXXAHZGSANQBTL-LBPRGKRZSA-N 0 3 372.512 3.182 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000872217234 735603911 /nfs/dbraw/zinc/60/39/11/735603911.db2.gz QQVPFEQCPLHJOE-SJORKVTESA-N 0 3 368.792 3.134 20 5 FGBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000872249236 735609119 /nfs/dbraw/zinc/60/91/19/735609119.db2.gz GDAPCXCEHUBXAR-YGRLFVJLSA-N 0 3 355.316 3.393 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874834937 735937501 /nfs/dbraw/zinc/93/75/01/735937501.db2.gz VXNUYMDVAZLOHY-HZPDHXFCSA-N 0 3 363.483 3.404 20 5 FGBDHN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Br)cn1 ZINC000877492486 736671832 /nfs/dbraw/zinc/67/18/32/736671832.db2.gz XKFODYBNRFPNJN-OIKLOGQESA-N 0 3 366.219 3.003 20 5 FGBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H]3CCc4cc(F)c(F)c(F)c43)C2)c1 ZINC000877571389 736686691 /nfs/dbraw/zinc/68/66/91/736686691.db2.gz XNMNPMWXGLALDT-ZPPKWKGLSA-N 0 3 352.316 3.189 20 5 FGBDHN COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CCCOC1 ZINC000886791206 739300219 /nfs/dbraw/zinc/30/02/19/739300219.db2.gz ZRYNZUSJQAQQLC-XEZPLFJOSA-N 0 3 354.472 3.409 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3nc4c(s3)CCC4)CC2)cc1 ZINC000903193997 743820661 /nfs/dbraw/zinc/82/06/61/743820661.db2.gz XSVWFTSQMQRORJ-UHFFFAOYSA-N 0 3 358.467 3.299 20 5 FGBDHN CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000933876457 761488406 /nfs/dbraw/zinc/48/84/06/761488406.db2.gz KDOHZYJRRVEQRE-GFCCVEGCSA-N 0 3 370.833 3.086 20 5 FGBDHN CSc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000579637938 505591936 /nfs/dbraw/zinc/59/19/36/505591936.db2.gz XLRLTIAGLUGLLL-SFHVURJKSA-N 0 3 373.478 3.278 20 5 FGBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000080925989 493791810 /nfs/dbraw/zinc/79/18/10/493791810.db2.gz WFBSRFAFEYZEDQ-QGZVFWFLSA-N 0 3 368.437 3.457 20 5 FGBDHN CN(C)[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057987945 493819318 /nfs/dbraw/zinc/81/93/18/493819318.db2.gz WGRUWXYTGPTVBM-IBGZPJMESA-N 0 3 370.453 3.206 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3CN3CCCCC3)n2)c1 ZINC000069033329 493909268 /nfs/dbraw/zinc/90/92/68/493909268.db2.gz GQGDURLPWVRXIQ-QGZVFWFLSA-N 0 3 371.441 3.095 20 5 FGBDHN CN(C)Cc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031402979 493942146 /nfs/dbraw/zinc/94/21/46/493942146.db2.gz RRYNZWMFTUBVMH-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN O=C(Nc1ccccc1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051918166 493992804 /nfs/dbraw/zinc/99/28/04/493992804.db2.gz FZWFHWNGJJARGM-UHFFFAOYSA-N 0 3 353.422 3.488 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000083410478 494015373 /nfs/dbraw/zinc/01/53/73/494015373.db2.gz QNAPRLDGMCSMPK-IBGZPJMESA-N 0 3 364.442 3.024 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccncc2)CC1 ZINC000007365411 494017791 /nfs/dbraw/zinc/01/77/91/494017791.db2.gz TZXJEESTEVABSY-UHFFFAOYSA-N 0 3 352.316 3.335 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)s1 ZINC000577259633 505695984 /nfs/dbraw/zinc/69/59/84/505695984.db2.gz JIHXTUZHBUCRIM-ZDUSSCGKSA-N 0 3 371.422 3.481 20 5 FGBDHN O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000064316992 494112523 /nfs/dbraw/zinc/11/25/23/494112523.db2.gz FFHDKLNDLQIGNN-GOSISDBHSA-N 0 3 365.433 3.396 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000087007803 494162433 /nfs/dbraw/zinc/16/24/33/494162433.db2.gz CFLSYXUUJKNTAH-HXUWFJFHSA-N 0 3 367.449 3.481 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000087062353 494168663 /nfs/dbraw/zinc/16/86/63/494168663.db2.gz XLKDGQYSRRTJLX-HXUWFJFHSA-N 0 3 367.449 3.481 20 5 FGBDHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041895228 494185744 /nfs/dbraw/zinc/18/57/44/494185744.db2.gz NXQRKELCKMILIJ-UHFFFAOYSA-N 0 3 367.405 3.418 20 5 FGBDHN CC(C)N1CCN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000065737214 494231167 /nfs/dbraw/zinc/23/11/67/494231167.db2.gz GDRUIVUPMBSTHF-UHFFFAOYSA-N 0 3 368.437 3.378 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054698520 494263405 /nfs/dbraw/zinc/26/34/05/494263405.db2.gz QMYAZWYTJRZRIX-QAPCUYQASA-N 0 3 368.437 3.230 20 5 FGBDHN COC(=O)COc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000089730469 494350749 /nfs/dbraw/zinc/35/07/49/494350749.db2.gz WRYBYODOFHPBQA-CQSZACIVSA-N 0 3 358.394 3.306 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000078763272 494356318 /nfs/dbraw/zinc/35/63/18/494356318.db2.gz JKYHDUOKOOQTCY-BQYQJAHWSA-N 0 3 369.425 3.100 20 5 FGBDHN NC(=O)c1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908507 494426976 /nfs/dbraw/zinc/42/69/76/494426976.db2.gz KAKHNGCYCOWXGY-QGZVFWFLSA-N 0 3 357.385 3.040 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801760 494497451 /nfs/dbraw/zinc/49/74/51/494497451.db2.gz KMCAOBQYBSQYID-GOEBONIOSA-N 0 3 356.426 3.318 20 5 FGBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090938098 494505453 /nfs/dbraw/zinc/50/54/53/494505453.db2.gz QKZRHNPABNHUHI-ZIAGYGMSSA-N 0 3 352.394 3.044 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000056530293 494521315 /nfs/dbraw/zinc/52/13/15/494521315.db2.gz XMMGITHPMDUJEN-NWDGAFQWSA-N 0 3 354.838 3.490 20 5 FGBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074445742 494537693 /nfs/dbraw/zinc/53/76/93/494537693.db2.gz WHPWDUVPCMXXKY-HXUWFJFHSA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056889032 494585693 /nfs/dbraw/zinc/58/56/93/494585693.db2.gz YLIGGWSZHCXPPI-OAHLLOKOSA-N 0 3 362.474 3.419 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC(C)CC1 ZINC000121194998 494640290 /nfs/dbraw/zinc/64/02/90/494640290.db2.gz ASTKYOJIRVFKQO-INIZCTEOSA-N 0 3 374.485 3.389 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080308372 494674886 /nfs/dbraw/zinc/67/48/86/494674886.db2.gz BETCNNVANDGGDU-NSHDSACASA-N 0 3 359.348 3.027 20 5 FGBDHN CC(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000092669312 494705196 /nfs/dbraw/zinc/70/51/96/494705196.db2.gz VIBPTVZCZBQIAK-UHFFFAOYSA-N 0 3 359.451 3.424 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc(N(C)CCN(C)C)c([N+](=O)[O-])c2)cc1 ZINC000080685334 494768294 /nfs/dbraw/zinc/76/82/94/494768294.db2.gz KSOSYMBKHMDGIR-UHFFFAOYSA-N 0 3 356.426 3.153 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133952 494774130 /nfs/dbraw/zinc/77/41/30/494774130.db2.gz PUQYDEDTEMWFDU-CQSZACIVSA-N 0 3 351.834 3.339 20 5 FGBDHN CC(C)c1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079427 494782366 /nfs/dbraw/zinc/78/23/66/494782366.db2.gz PQTLYIXMGUHFRE-MRXNPFEDSA-N 0 3 361.486 3.403 20 5 FGBDHN C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)Cc1ccccc1 ZINC000110965237 495026178 /nfs/dbraw/zinc/02/61/78/495026178.db2.gz YEBPVIXQYNQQFI-CQSZACIVSA-N 0 3 366.421 3.326 20 5 FGBDHN CCO[C@H]1C[C@H]1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000577580882 505757626 /nfs/dbraw/zinc/75/76/26/505757626.db2.gz PWIATDMIGJZEIM-MJGOQNOKSA-N 0 3 372.421 3.449 20 5 FGBDHN Cc1c([C@@H](C)NC[C@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000133709928 495050353 /nfs/dbraw/zinc/05/03/53/495050353.db2.gz OWRMVYRWBONPOH-OLZOCXBDSA-N 0 3 366.364 3.272 20 5 FGBDHN CC[C@@](C)(O)CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000111384312 495070322 /nfs/dbraw/zinc/07/03/22/495070322.db2.gz ZYWDEBFBMRIZKX-HXUWFJFHSA-N 0 3 374.437 3.433 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)COCC2CC2)s1 ZINC000102425905 495136451 /nfs/dbraw/zinc/13/64/51/495136451.db2.gz SOHDZWDELWPINS-CQSZACIVSA-N 0 3 362.451 3.200 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C)cc1 ZINC000102684523 495153473 /nfs/dbraw/zinc/15/34/73/495153473.db2.gz NZZAUHHPDGRBNO-CQSZACIVSA-N 0 3 371.393 3.311 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134868715 495212591 /nfs/dbraw/zinc/21/25/91/495212591.db2.gz JIZKUEBESXTUGP-DOTOQJQBSA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000134946819 495228775 /nfs/dbraw/zinc/22/87/75/495228775.db2.gz ZUDZXGHCMMQKOY-APWZRJJASA-N 0 3 367.449 3.307 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000104058350 495266918 /nfs/dbraw/zinc/26/69/18/495266918.db2.gz YWHDCAWYZMETMW-UHFFFAOYSA-N 0 3 351.410 3.060 20 5 FGBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC000574433131 505772192 /nfs/dbraw/zinc/77/21/92/505772192.db2.gz HRDMXMQKERIBNP-GOSISDBHSA-N 0 3 358.442 3.154 20 5 FGBDHN NC(=O)[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000129698543 495282490 /nfs/dbraw/zinc/28/24/90/495282490.db2.gz UOMTWNYUYOQDCI-HHXXYDBFSA-N 0 3 353.422 3.122 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000124997527 495375636 /nfs/dbraw/zinc/37/56/36/495375636.db2.gz XVBGVMSGRQSNPX-GXTWGEPZSA-N 0 3 350.802 3.339 20 5 FGBDHN COc1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000136740140 495398949 /nfs/dbraw/zinc/39/89/49/495398949.db2.gz OGMNPGTYNMWEDU-AWEZNQCLSA-N 0 3 350.415 3.281 20 5 FGBDHN COc1ccc2[nH]cc(C3=CCN(CCn4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000176211333 495548380 /nfs/dbraw/zinc/54/83/80/495548380.db2.gz JJUNKURXOXBRFF-UHFFFAOYSA-N 0 3 367.409 3.071 20 5 FGBDHN COc1ccc(OCCN2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000173553992 495585127 /nfs/dbraw/zinc/58/51/27/495585127.db2.gz JLEZNKUQWZRODE-UHFFFAOYSA-N 0 3 371.437 3.195 20 5 FGBDHN COc1cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000154420332 495611767 /nfs/dbraw/zinc/61/17/67/495611767.db2.gz HARRDIAUBCOSSG-INIZCTEOSA-N 0 3 367.405 3.228 20 5 FGBDHN CC1(C)C[C@@H](NCCC(=O)Nc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000577815873 505796296 /nfs/dbraw/zinc/79/62/96/505796296.db2.gz GBZOFMLGNGOERQ-MRXNPFEDSA-N 0 3 354.410 3.331 20 5 FGBDHN Cc1c(NC(=O)CCN[C@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000179752394 495718926 /nfs/dbraw/zinc/71/89/26/495718926.db2.gz JEZNAYRERPONJD-GOSISDBHSA-N 0 3 371.437 3.335 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@]3(O)CCSC3)o2)c(Cl)c1 ZINC000176751610 495773856 /nfs/dbraw/zinc/77/38/56/495773856.db2.gz GGSMCKGGJSGDSJ-INIZCTEOSA-N 0 3 368.842 3.466 20 5 FGBDHN Cc1c(CN2CCC(CCCN3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000182973769 495781202 /nfs/dbraw/zinc/78/12/02/495781202.db2.gz VISZUUFJWLLQBH-UHFFFAOYSA-N 0 3 361.486 3.228 20 5 FGBDHN C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000154974981 495790358 /nfs/dbraw/zinc/79/03/58/495790358.db2.gz URGCRFIWEJFPIP-UZLBHIALSA-N 0 3 355.438 3.146 20 5 FGBDHN C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000155024116 495807438 /nfs/dbraw/zinc/80/74/38/495807438.db2.gz BDNVXBBVLZZYDM-QRWLVFNGSA-N 0 3 373.428 3.458 20 5 FGBDHN COCCOC[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180010471 495821623 /nfs/dbraw/zinc/82/16/23/495821623.db2.gz IXTBVJAGMQMSFC-OAHLLOKOSA-N 0 3 360.410 3.340 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1cccs1 ZINC000176878266 495823158 /nfs/dbraw/zinc/82/31/58/495823158.db2.gz NMODPNHMKVWRST-SJKOYZFVSA-N 0 3 374.466 3.051 20 5 FGBDHN COc1ccc(C(=O)Nc2ccc(C)cc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000151391481 495825340 /nfs/dbraw/zinc/82/53/40/495825340.db2.gz VHKCWAYSYATTTF-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CC[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000155075178 495826731 /nfs/dbraw/zinc/82/67/31/495826731.db2.gz ZWVYCNILPXOGGX-GOSISDBHSA-N 0 3 357.410 3.161 20 5 FGBDHN Cc1c(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000159945373 495847067 /nfs/dbraw/zinc/84/70/67/495847067.db2.gz DYMBMIJTAYDHOS-HXUWFJFHSA-N 0 3 367.449 3.399 20 5 FGBDHN CC[C@@H](NCCNC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180427002 495992142 /nfs/dbraw/zinc/99/21/42/495992142.db2.gz BJRNLCHCHZEYJZ-GOSISDBHSA-N 0 3 357.410 3.074 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000151978960 496010969 /nfs/dbraw/zinc/01/09/69/496010969.db2.gz CJUGKLBWEVSDQG-GJZGRUSLSA-N 0 3 351.447 3.043 20 5 FGBDHN CSc1cccc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000186606508 496069800 /nfs/dbraw/zinc/06/98/00/496069800.db2.gz QKLGFRMWLOKSIT-AWEZNQCLSA-N 0 3 363.483 3.311 20 5 FGBDHN COc1ccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000155951391 496116092 /nfs/dbraw/zinc/11/60/92/496116092.db2.gz QXAHQDMKTUBGEH-LJQANCHMSA-N 0 3 356.422 3.377 20 5 FGBDHN Cc1cccc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000152380398 496132775 /nfs/dbraw/zinc/13/27/75/496132775.db2.gz MISYVTFOYOIPAW-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN CC(C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000180869458 496179797 /nfs/dbraw/zinc/17/97/97/496179797.db2.gz IUHXKTDJAHNRHR-CQSZACIVSA-N 0 3 366.364 3.138 20 5 FGBDHN CCOc1ccccc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172169508 496193454 /nfs/dbraw/zinc/19/34/54/496193454.db2.gz DWVDHFSPZYOYOW-UHFFFAOYSA-N 0 3 357.410 3.454 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000152763847 496249686 /nfs/dbraw/zinc/24/96/86/496249686.db2.gz ISDKQXIAGTTWMP-CQSZACIVSA-N 0 3 373.457 3.205 20 5 FGBDHN CCC[C@H](NCCNC(=O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000178016881 496288994 /nfs/dbraw/zinc/28/89/94/496288994.db2.gz FUHQFHFQYUTLMZ-IBGZPJMESA-N 0 3 371.437 3.464 20 5 FGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175284630 496323204 /nfs/dbraw/zinc/32/32/04/496323204.db2.gz CUJGUTPOAILLJN-MRXNPFEDSA-N 0 3 357.410 3.172 20 5 FGBDHN CC[C@H](NCCNC(=O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000162413063 496349210 /nfs/dbraw/zinc/34/92/10/496349210.db2.gz WQNQAZXWJKHGHL-SFHVURJKSA-N 0 3 357.410 3.074 20 5 FGBDHN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187241414 496356712 /nfs/dbraw/zinc/35/67/12/496356712.db2.gz NWRAGBLOGZQBSG-YWZLYKJASA-N 0 3 370.453 3.204 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000153174282 496374172 /nfs/dbraw/zinc/37/41/72/496374172.db2.gz AFNCRAQXHIHPQN-RDJZCZTQSA-N 0 3 374.437 3.392 20 5 FGBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000163020834 496451507 /nfs/dbraw/zinc/45/15/07/496451507.db2.gz FBLOQGKQUDBWGT-GDZNZVCISA-N 0 3 355.394 3.076 20 5 FGBDHN CC(C)(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000181614887 496469883 /nfs/dbraw/zinc/46/98/83/496469883.db2.gz OFRKWUSGRGBNHA-QGZVFWFLSA-N 0 3 365.380 3.412 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000187571399 496494849 /nfs/dbraw/zinc/49/48/49/496494849.db2.gz FINOOCHRKYDLNL-UHFFFAOYSA-N 0 3 355.316 3.263 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000172982043 496508844 /nfs/dbraw/zinc/50/88/44/496508844.db2.gz ZIEVMASYQUNCNF-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CCN(C2CC2)CC1 ZINC000181789741 496545240 /nfs/dbraw/zinc/54/52/40/496545240.db2.gz GQWHGHYAENVUSS-UHFFFAOYSA-N 0 3 372.347 3.362 20 5 FGBDHN Cc1ccc([C@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000163791898 496558077 /nfs/dbraw/zinc/55/80/77/496558077.db2.gz YTLYDRPUXHDTSC-HNNXBMFYSA-N 0 3 371.437 3.221 20 5 FGBDHN C[C@@H](SCCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000157891872 496578675 /nfs/dbraw/zinc/57/86/75/496578675.db2.gz AVOSQLIZOHEJII-SECBINFHSA-N 0 3 365.377 3.235 20 5 FGBDHN CCOc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182076646 496661239 /nfs/dbraw/zinc/66/12/39/496661239.db2.gz TXHBZZWMYVZMIL-OAHLLOKOSA-N 0 3 371.437 3.244 20 5 FGBDHN CCC[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166566135 496688907 /nfs/dbraw/zinc/68/89/07/496688907.db2.gz VFMQOPKKXRURNT-QFBILLFUSA-N 0 3 357.458 3.428 20 5 FGBDHN CCC[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166565813 496688953 /nfs/dbraw/zinc/68/89/53/496688953.db2.gz VFMQOPKKXRURNT-APWZRJJASA-N 0 3 357.458 3.428 20 5 FGBDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000154133975 496692889 /nfs/dbraw/zinc/69/28/89/496692889.db2.gz MUAAQWYFWBXEEN-SCWSEQNSSA-N 0 3 369.465 3.128 20 5 FGBDHN COc1ccc([C@@H](C)N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182203519 496707015 /nfs/dbraw/zinc/70/70/15/496707015.db2.gz SVNPNJKWJYHBQQ-ZBFHGGJFSA-N 0 3 360.410 3.036 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182356918 496731349 /nfs/dbraw/zinc/73/13/49/496731349.db2.gz CFELLPCRLQCFDQ-OAHLLOKOSA-N 0 3 373.428 3.428 20 5 FGBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000194928001 496763179 /nfs/dbraw/zinc/76/31/79/496763179.db2.gz SGXMZHWGRDYXTI-UHFFFAOYSA-N 0 3 359.451 3.393 20 5 FGBDHN CN1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247300619 496829603 /nfs/dbraw/zinc/82/96/03/496829603.db2.gz GXDNFYAWJWHZII-BEFAXECRSA-N 0 3 373.478 3.398 20 5 FGBDHN COc1ccc(CNC[C@@](C)(Cc2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000191722054 496866936 /nfs/dbraw/zinc/86/69/36/496866936.db2.gz UGTQNWFSUXXFBW-MGPUTAFESA-N 0 3 358.438 3.323 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192140282 497008991 /nfs/dbraw/zinc/00/89/91/497008991.db2.gz WGWJIYATSQXVFE-MSOLQXFVSA-N 0 3 364.348 3.372 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192141562 497010378 /nfs/dbraw/zinc/01/03/78/497010378.db2.gz BAZKEKDVIVHYDV-RCCFBDPRSA-N 0 3 364.348 3.026 20 5 FGBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000248573243 497045041 /nfs/dbraw/zinc/04/50/41/497045041.db2.gz GPHAIMCNIVXTFQ-DGFSRKRXSA-N 0 3 355.822 3.122 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000227387788 497088671 /nfs/dbraw/zinc/08/86/71/497088671.db2.gz NDNVMLGFIFPMKB-GOEBONIOSA-N 0 3 369.421 3.169 20 5 FGBDHN COc1ccc(-c2ccc(CNCCCC(=O)NC3CC3)o2)c([N+](=O)[O-])c1 ZINC000237425834 497234752 /nfs/dbraw/zinc/23/47/52/497234752.db2.gz MKWBZELEEBGZIW-UHFFFAOYSA-N 0 3 373.409 3.012 20 5 FGBDHN NC(=O)CCC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000271197999 497288470 /nfs/dbraw/zinc/28/84/70/497288470.db2.gz OMLAIRZIJJXEHS-UHFFFAOYSA-N 0 3 357.410 3.332 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245514350 497437676 /nfs/dbraw/zinc/43/76/76/497437676.db2.gz BSOWBSHKLIGASN-PKOBYXMFSA-N 0 3 360.502 3.066 20 5 FGBDHN CCN(Cc1c[nH]c2ccccc12)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000190450295 497483716 /nfs/dbraw/zinc/48/37/16/497483716.db2.gz KUCLGFHVASAJRE-KRWDZBQOSA-N 0 3 369.421 3.338 20 5 FGBDHN CCN(Cc1c[nH]c2ccccc12)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000190497650 497505101 /nfs/dbraw/zinc/50/51/01/497505101.db2.gz ACFBENKBJCOKSF-INIZCTEOSA-N 0 3 369.421 3.338 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000272002567 497508675 /nfs/dbraw/zinc/50/86/75/497508675.db2.gz OKZUXTBFPWFDQY-HUUCEWRRSA-N 0 3 352.431 3.295 20 5 FGBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245753916 497529701 /nfs/dbraw/zinc/52/97/01/497529701.db2.gz CSMGHHCTTXDHOJ-SFXCNKRSSA-N 0 3 367.833 3.122 20 5 FGBDHN COc1cc(CNC[C@H](C)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272237939 497573222 /nfs/dbraw/zinc/57/32/22/497573222.db2.gz AFHQZCKPASEMMR-VIFPVBQESA-N 0 3 350.387 3.088 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246129273 497631144 /nfs/dbraw/zinc/63/11/44/497631144.db2.gz QKTFNACYGSFYCM-CVEARBPZSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC[C@@H](C)C1 ZINC000246172438 497646882 /nfs/dbraw/zinc/64/68/82/497646882.db2.gz ZTKNUQFCFNHYNF-HZPDHXFCSA-N 0 3 374.485 3.389 20 5 FGBDHN COC[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)OC ZINC000272648232 497689418 /nfs/dbraw/zinc/68/94/18/497689418.db2.gz DWDDCHSYHIZALP-CYBMUJFWSA-N 0 3 354.790 3.259 20 5 FGBDHN O=C1NC(=O)C2(CCN(Cc3c4ccccc4cc4ccccc43)CC2)N1 ZINC000272843913 497743467 /nfs/dbraw/zinc/74/34/67/497743467.db2.gz RTFXUUNZEPXVCN-UHFFFAOYSA-N 0 3 359.429 3.167 20 5 FGBDHN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000364247063 497861219 /nfs/dbraw/zinc/86/12/19/497861219.db2.gz OCNZHFMTAATZGI-UHFFFAOYSA-N 0 3 374.828 3.384 20 5 FGBDHN CNC(=O)c1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000301090380 497946190 /nfs/dbraw/zinc/94/61/90/497946190.db2.gz NIYDYUSYLAOXLA-INIZCTEOSA-N 0 3 374.466 3.265 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)CCC(=O)N2C ZINC000285199621 498019693 /nfs/dbraw/zinc/01/96/93/498019693.db2.gz CWNJVDIXKKYTCW-UHFFFAOYSA-N 0 3 353.422 3.178 20 5 FGBDHN COc1ccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)n1 ZINC000578561686 505967709 /nfs/dbraw/zinc/96/77/09/505967709.db2.gz QVCNGFVQPKCXKH-MRXNPFEDSA-N 0 3 357.410 3.118 20 5 FGBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(CC3CCCC3)C2)c(Br)c1 ZINC000301541121 498155308 /nfs/dbraw/zinc/15/53/08/498155308.db2.gz OAEAUPBFLFANGG-LBPRGKRZSA-N 0 3 369.263 3.429 20 5 FGBDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285806781 498207318 /nfs/dbraw/zinc/20/73/18/498207318.db2.gz VPJKPIJBIKOLLB-UHFFFAOYSA-N 0 3 360.414 3.362 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000301743159 498248409 /nfs/dbraw/zinc/24/84/09/498248409.db2.gz ZAQXFZJWNRDOQX-GASCZTMLSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)C2C[C@H](c3ccccc3)OC2=O)cc1[N+](=O)[O-] ZINC000289824854 498311042 /nfs/dbraw/zinc/31/10/42/498311042.db2.gz UCBCVTXPTVIABE-QANKJYHBSA-N 0 3 368.389 3.385 20 5 FGBDHN CCc1nn(C)c(NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301932270 498333950 /nfs/dbraw/zinc/33/39/50/498333950.db2.gz MIOFUXCENGQQMS-IUODEOHRSA-N 0 3 363.487 3.447 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000361597739 498410720 /nfs/dbraw/zinc/41/07/20/498410720.db2.gz SJJKJQLDPOYMST-FUHWJXTLSA-N 0 3 351.406 3.351 20 5 FGBDHN C[C@@H]1CCCN(C(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000361656961 498415520 /nfs/dbraw/zinc/41/55/20/498415520.db2.gz FGYPLHWQOOCMQS-MRXNPFEDSA-N 0 3 359.470 3.108 20 5 FGBDHN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000575996875 506052125 /nfs/dbraw/zinc/05/21/25/506052125.db2.gz CWERDLSCKDTYRP-KHYOSLBOSA-N 0 3 353.422 3.435 20 5 FGBDHN COCCOCc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000294364570 498671294 /nfs/dbraw/zinc/67/12/94/498671294.db2.gz QOXCDGVNNTZIDI-CQSZACIVSA-N 0 3 359.426 3.191 20 5 FGBDHN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000303541606 498690454 /nfs/dbraw/zinc/69/04/54/498690454.db2.gz YPDANBXNDJRTLE-MRXNPFEDSA-N 0 3 370.453 3.034 20 5 FGBDHN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563668 498727341 /nfs/dbraw/zinc/72/73/41/498727341.db2.gz WHMISLWHCOVDOG-BFYDXBDKSA-N 0 3 374.485 3.044 20 5 FGBDHN COc1ccc(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600235 498752379 /nfs/dbraw/zinc/75/23/79/498752379.db2.gz GPCLIDPGYVBQDM-YJBOKZPZSA-N 0 3 355.438 3.356 20 5 FGBDHN C[C@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311826405 498754807 /nfs/dbraw/zinc/75/48/07/498754807.db2.gz RHKYNAQZRWHHSO-SUMWQHHRSA-N 0 3 357.385 3.127 20 5 FGBDHN O=[N+]([O-])c1cccc(F)c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000287995598 498921136 /nfs/dbraw/zinc/92/11/36/498921136.db2.gz RVFWXFCCQHACIB-UHFFFAOYSA-N 0 3 359.401 3.303 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CC2)OCc2ccccc23)c1 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FGBDHN Cn1c(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)nc2ccccc21 ZINC000602591512 506225491 /nfs/dbraw/zinc/22/54/91/506225491.db2.gz BCFMGNZEKMPPBA-UHFFFAOYSA-N 0 3 365.393 3.345 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000439902434 500953110 /nfs/dbraw/zinc/95/31/10/500953110.db2.gz OKAMBFYTELVDMQ-UHFFFAOYSA-N 0 3 372.425 3.377 20 5 FGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449360170 500986534 /nfs/dbraw/zinc/98/65/34/500986534.db2.gz HHQCVZPIKSFGKJ-ROUUACIJSA-N 0 3 373.478 3.228 20 5 FGBDHN CC[C@H](CO)N(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449375229 500989610 /nfs/dbraw/zinc/98/96/10/500989610.db2.gz FQDPOFCIRXRXAC-QGZVFWFLSA-N 0 3 374.437 3.385 20 5 FGBDHN CC[C@@H](CO)N(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449375228 500989793 /nfs/dbraw/zinc/98/97/93/500989793.db2.gz FQDPOFCIRXRXAC-KRWDZBQOSA-N 0 3 374.437 3.385 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1cccnc1)C1CC1 ZINC000445769730 501029937 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FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000436727398 501198063 /nfs/dbraw/zinc/19/80/63/501198063.db2.gz ZFOMSXOHZUIDDY-KRWDZBQOSA-N 0 3 353.422 3.426 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CS(=O)(=O)c3ccccc31)CCC2 ZINC000453240517 501297283 /nfs/dbraw/zinc/29/72/83/501297283.db2.gz WNARIPCZBLAJMS-KBXCAEBGSA-N 0 3 372.446 3.133 20 5 FGBDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000451589319 501331275 /nfs/dbraw/zinc/33/12/75/501331275.db2.gz AANOHNTZSFZIES-DYVFJYSZSA-N 0 3 371.865 3.065 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]2CCCCN2C1=O ZINC000453455976 501337227 /nfs/dbraw/zinc/33/72/27/501337227.db2.gz UULNSEVYTNRXFH-KFWWJZLASA-N 0 3 363.483 3.209 20 5 FGBDHN CC[C@@H]1CN(CC)CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000451724650 501360658 /nfs/dbraw/zinc/36/06/58/501360658.db2.gz IBDCJKMTXUMOBN-CYBMUJFWSA-N 0 3 373.400 3.121 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000456306133 501493171 /nfs/dbraw/zinc/49/31/71/501493171.db2.gz MNTVZGBIQYZZRJ-KRWDZBQOSA-N 0 3 367.449 3.118 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000456310979 501494784 /nfs/dbraw/zinc/49/47/84/501494784.db2.gz RFSDUYNTSVFMTH-MRXNPFEDSA-N 0 3 353.422 3.189 20 5 FGBDHN NC(=O)c1cc(NC[C@@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000596101012 506259208 /nfs/dbraw/zinc/25/92/08/506259208.db2.gz HFOFHXPQJYWJMD-ZDUSSCGKSA-N 0 3 374.466 3.079 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCN2CC(F)F)c1 ZINC000598986501 506262730 /nfs/dbraw/zinc/26/27/30/506262730.db2.gz BINNGMPMSGKZAR-LBPRGKRZSA-N 0 3 365.327 3.015 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1[C@@H]3Cc4cc(Cl)ccc4[C@@H]31)OCCO2 ZINC000598989418 506264027 /nfs/dbraw/zinc/26/40/27/506264027.db2.gz HPVZXTGQGKIOHA-MDASCCDHSA-N 0 3 372.808 3.447 20 5 FGBDHN C[C@@H]1CN(c2ccccc2CNCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000459418794 501650378 /nfs/dbraw/zinc/65/03/78/501650378.db2.gz JHTKYOQSKLPMFL-MRXNPFEDSA-N 0 3 355.438 3.152 20 5 FGBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000459594494 501683516 /nfs/dbraw/zinc/68/35/16/501683516.db2.gz WJZMCXMTKDJGHM-GOSISDBHSA-N 0 3 350.415 3.027 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999093 506270935 /nfs/dbraw/zinc/27/09/35/506270935.db2.gz DWLVBBKNQZFADQ-PBHICJAKSA-N 0 3 360.458 3.280 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000481385129 501757985 /nfs/dbraw/zinc/75/79/85/501757985.db2.gz WGGYWKGEZGZZTP-SCLBCKFNSA-N 0 3 372.425 3.416 20 5 FGBDHN O=C(CCN1CCOC2(C1)CCCCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000478062777 501870088 /nfs/dbraw/zinc/87/00/88/501870088.db2.gz RJXDIVYYFKQMCK-UHFFFAOYSA-N 0 3 361.442 3.349 20 5 FGBDHN CC(C)O[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000464070887 501889529 /nfs/dbraw/zinc/88/95/29/501889529.db2.gz IXHSTHOKKGNOPI-HOTGVXAUSA-N 0 3 350.415 3.143 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000467987892 501923203 /nfs/dbraw/zinc/92/32/03/501923203.db2.gz HNTXYYHQHUQXPC-ZDUSSCGKSA-N 0 3 357.410 3.455 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596159952 506286753 /nfs/dbraw/zinc/28/67/53/506286753.db2.gz TWHWSNHKWIQODH-NEPJUHHUSA-N 0 3 367.833 3.098 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC2(CC(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000475106187 502061353 /nfs/dbraw/zinc/06/13/53/502061353.db2.gz IANVWXRRKUWYGP-UHFFFAOYSA-N 0 3 368.437 3.250 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475157334 502085703 /nfs/dbraw/zinc/08/57/03/502085703.db2.gz PKNRBSNPRFFURM-MCIONIFRSA-N 0 3 350.415 3.013 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ncnn1-c1ccccc1 ZINC000475285267 502117838 /nfs/dbraw/zinc/11/78/38/502117838.db2.gz GFFKZNZAUXNWHO-OAHLLOKOSA-N 0 3 351.410 3.286 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccc(C)cc1 ZINC000468642221 502134647 /nfs/dbraw/zinc/13/46/47/502134647.db2.gz PPJJMYKBVACJNR-FOWTUZBSSA-N 0 3 353.422 3.326 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccccc1CS(C)(=O)=O ZINC000468731310 502162804 /nfs/dbraw/zinc/16/28/04/502162804.db2.gz ALUSAJQVXUNPJN-XNTDXEJSSA-N 0 3 374.462 3.333 20 5 FGBDHN COc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944759 502179023 /nfs/dbraw/zinc/17/90/23/502179023.db2.gz SSNQRZGEKGYCIK-MAUKXSAKSA-N 0 3 370.409 3.170 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475504886 502194288 /nfs/dbraw/zinc/19/42/88/502194288.db2.gz VBIBOAZAFKBLSO-CVEARBPZSA-N 0 3 367.449 3.436 20 5 FGBDHN Cc1cc(NC[C@@H](O)CN2CCCCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461789084 502201748 /nfs/dbraw/zinc/20/17/48/502201748.db2.gz ZLNKMWPKBKVJEB-GFCCVEGCSA-N 0 3 361.364 3.181 20 5 FGBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000599057916 506299933 /nfs/dbraw/zinc/29/99/33/506299933.db2.gz CQHZYZCAAMJFSC-QGZVFWFLSA-N 0 3 370.453 3.224 20 5 FGBDHN Cn1ncc(C(F)(F)F)c1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599059620 506300731 /nfs/dbraw/zinc/30/07/31/506300731.db2.gz IPDFRTSGPKLJJI-AWEZNQCLSA-N 0 3 368.359 3.458 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596191910 506301176 /nfs/dbraw/zinc/30/11/76/506301176.db2.gz BZKXVAGFDDZNLD-BRWVUGGUSA-N 0 3 368.437 3.408 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596191910 506301181 /nfs/dbraw/zinc/30/11/81/506301181.db2.gz BZKXVAGFDDZNLD-BRWVUGGUSA-N 0 3 368.437 3.408 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000475709180 502259425 /nfs/dbraw/zinc/25/94/25/502259425.db2.gz JNUOFTUWTFZVTA-INIZCTEOSA-N 0 3 350.415 3.157 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000475712432 502260747 /nfs/dbraw/zinc/26/07/47/502260747.db2.gz ZNWWAIATJUYWOQ-KBPBESRZSA-N 0 3 350.415 3.157 20 5 FGBDHN 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3.162 20 5 FGBDHN CCc1cc(N2CCN(C)[C@@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537823963 504054550 /nfs/dbraw/zinc/05/45/50/504054550.db2.gz WQZMPTPAGUARSN-UONOGXRCSA-N 0 3 355.442 3.143 20 5 FGBDHN C[C@@]1(c2ccccc2)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541349765 504100922 /nfs/dbraw/zinc/10/09/22/504100922.db2.gz RRICPOUNFMIOFT-WIYYLYMNSA-N 0 3 370.449 3.388 20 5 FGBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)nn(C)c1C ZINC000544417870 504126665 /nfs/dbraw/zinc/12/66/65/504126665.db2.gz FNQOVIUTVSUTTQ-INIZCTEOSA-N 0 3 373.457 3.323 20 5 FGBDHN COCC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000544422317 504127829 /nfs/dbraw/zinc/12/78/29/504127829.db2.gz XMGSTZRJWPIUCY-OAHLLOKOSA-N 0 3 361.398 3.192 20 5 FGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000544678039 504213122 /nfs/dbraw/zinc/21/31/22/504213122.db2.gz YUCJSLWENKSNTB-ZDUSSCGKSA-N 0 3 360.389 3.376 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000548032047 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FGBDHN O=C1C[C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1C1CC1 ZINC000846072148 730925575 /nfs/dbraw/zinc/92/55/75/730925575.db2.gz KYXMLTSUWWYOGM-VIFPVBQESA-N 0 3 358.225 3.002 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)Cc1ccccc1 ZINC000858178549 732189740 /nfs/dbraw/zinc/18/97/40/732189740.db2.gz YDGHLSGOPLDNPA-CQSZACIVSA-N 0 3 361.829 3.151 20 5 FGBDHN CCSc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000860776994 732569945 /nfs/dbraw/zinc/56/99/45/732569945.db2.gz ISPCILDHDGRVRR-SECBINFHSA-N 0 3 362.245 3.312 20 5 FGBDHN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466073 742681569 /nfs/dbraw/zinc/68/15/69/742681569.db2.gz NKKWFVPQJSLERX-CABCVRRESA-N 0 3 362.451 3.150 20 5 FGBDHN C[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000908503021 744294406 /nfs/dbraw/zinc/29/44/06/744294406.db2.gz BIXXDLVDGIUQPY-CYBMUJFWSA-N 0 3 365.861 3.124 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nc2c(s1)COCC2)C1CC1 ZINC000927121972 759898527 /nfs/dbraw/zinc/89/85/27/759898527.db2.gz QIRMOAYTBSFBAB-HNNXBMFYSA-N 0 3 359.451 3.235 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000075943005 493798711 /nfs/dbraw/zinc/79/87/11/493798711.db2.gz STFNGJYMPDVXDA-INIZCTEOSA-N 0 3 358.398 3.028 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(C)s1 ZINC000076342893 493871994 /nfs/dbraw/zinc/87/19/94/493871994.db2.gz VIDQYFKQMWYACT-UHFFFAOYSA-N 0 3 363.439 3.434 20 5 FGBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000049981913 493888941 /nfs/dbraw/zinc/88/89/41/493888941.db2.gz ITBDINDNEURPMV-INIZCTEOSA-N 0 3 374.485 3.120 20 5 FGBDHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000005547407 493934748 /nfs/dbraw/zinc/93/47/48/493934748.db2.gz HFFGMNAKBSGXQO-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730069 494008631 /nfs/dbraw/zinc/00/86/31/494008631.db2.gz JRUQYGBHYMNLSK-QWHCGFSZSA-N 0 3 351.472 3.309 20 5 FGBDHN COc1ccc(CN2CCC(CNc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000063282478 494039250 /nfs/dbraw/zinc/03/92/50/494039250.db2.gz GEOFHOGKWUYSOE-UHFFFAOYSA-N 0 3 356.426 3.323 20 5 FGBDHN NC(=O)c1ccc(CN2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000053182353 494101881 /nfs/dbraw/zinc/10/18/81/494101881.db2.gz XLJXWLSCBFVSOY-SFHVURJKSA-N 0 3 353.422 3.291 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Oc2ccccc2)C1 ZINC000580190114 505699984 /nfs/dbraw/zinc/69/99/84/505699984.db2.gz FEMNZALYGPEKSW-SFHVURJKSA-N 0 3 369.421 3.385 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000064129891 494105750 /nfs/dbraw/zinc/10/57/50/494105750.db2.gz XWHSFRVRLUSNCA-UHFFFAOYSA-N 0 3 374.485 3.040 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000087208540 494182853 /nfs/dbraw/zinc/18/28/53/494182853.db2.gz CIFSOWFQNAKVRD-UHFFFAOYSA-N 0 3 359.426 3.019 20 5 FGBDHN CNc1ccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054226884 494209998 /nfs/dbraw/zinc/20/99/98/494209998.db2.gz SSYSOJFQZPJLJB-YOEHRIQHSA-N 0 3 368.437 3.202 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000066663038 494378267 /nfs/dbraw/zinc/37/82/67/494378267.db2.gz AGLNHBKQFYNZIT-UHFFFAOYSA-N 0 3 357.414 3.009 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908983 494398811 /nfs/dbraw/zinc/39/88/11/494398811.db2.gz FFYDCKUPICPQSL-AEFFLSMTSA-N 0 3 356.426 3.308 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000045794383 494463571 /nfs/dbraw/zinc/46/35/71/494463571.db2.gz AOOMJILXTMBRIR-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000067140114 494481932 /nfs/dbraw/zinc/48/19/32/494481932.db2.gz QPJPEAHNPOTIOI-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(C)CC1 ZINC000074139508 494487699 /nfs/dbraw/zinc/48/76/99/494487699.db2.gz NMROOHHJRVMRBE-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000090913793 494503682 /nfs/dbraw/zinc/50/36/82/494503682.db2.gz KZMPNUACRFQSIT-VDGAXYAQSA-N 0 3 369.465 3.189 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000090913795 494503756 /nfs/dbraw/zinc/50/37/56/494503756.db2.gz KZMPNUACRFQSIT-DBVUQKKJSA-N 0 3 369.465 3.189 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067273444 494505810 /nfs/dbraw/zinc/50/58/10/494505810.db2.gz WRZSZTFOETWNEL-INIZCTEOSA-N 0 3 374.485 3.045 20 5 FGBDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125960488 494588819 /nfs/dbraw/zinc/58/88/19/494588819.db2.gz PPKKCBDFGFFDMG-ZDUSSCGKSA-N 0 3 358.394 3.230 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000067722653 494625615 /nfs/dbraw/zinc/62/56/15/494625615.db2.gz VWFCSDLZVVKNLR-LJQANCHMSA-N 0 3 368.437 3.231 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080308376 494674750 /nfs/dbraw/zinc/67/47/50/494674750.db2.gz BETCNNVANDGGDU-LLVKDONJSA-N 0 3 359.348 3.027 20 5 FGBDHN Cc1cc(N[C@H](CN2CCN(C)CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000092649466 494695959 /nfs/dbraw/zinc/69/59/59/494695959.db2.gz CWTDSSCIEQCGBK-LJQANCHMSA-N 0 3 354.454 3.304 20 5 FGBDHN NC(=O)CC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092660264 494701105 /nfs/dbraw/zinc/70/11/05/494701105.db2.gz BUWMRAIQJDICMO-CQSZACIVSA-N 0 3 357.410 3.332 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccco1 ZINC000580351545 505738476 /nfs/dbraw/zinc/73/84/76/505738476.db2.gz FZLAKRHPIAUWBW-TZMCWYRMSA-N 0 3 361.398 3.056 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000068065063 494748693 /nfs/dbraw/zinc/74/86/93/494748693.db2.gz PQJVBPGZNLFTBJ-MRXNPFEDSA-N 0 3 374.485 3.045 20 5 FGBDHN Cn1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071428 494778176 /nfs/dbraw/zinc/77/81/76/494778176.db2.gz ZRCPRZKWDRTKLQ-OAHLLOKOSA-N 0 3 366.425 3.098 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)o1 ZINC000092070195 494778324 /nfs/dbraw/zinc/77/83/24/494778324.db2.gz NJVJLXJVSVJKNQ-OAHLLOKOSA-N 0 3 367.409 3.359 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075534979 494788265 /nfs/dbraw/zinc/78/82/65/494788265.db2.gz UJIKXGBRORPODW-SFHVURJKSA-N 0 3 354.410 3.333 20 5 FGBDHN Cc1cccc(OCCN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000026337243 494819247 /nfs/dbraw/zinc/81/92/47/494819247.db2.gz MHVCIZWRZJRMRP-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN CC(C)n1cnnc1[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093200886 494842580 /nfs/dbraw/zinc/84/25/80/494842580.db2.gz QKBNLCKQZUVWEH-HNNXBMFYSA-N 0 3 359.430 3.026 20 5 FGBDHN CCCN(CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027269724 494860021 /nfs/dbraw/zinc/86/00/21/494860021.db2.gz DQDBYPDFFPXJLA-UHFFFAOYSA-N 0 3 358.236 3.418 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000132347935 494860996 /nfs/dbraw/zinc/86/09/96/494860996.db2.gz HBVDKRFNUHVVJD-GOSISDBHSA-N 0 3 359.401 3.329 20 5 FGBDHN COCCOC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093339488 494873781 /nfs/dbraw/zinc/87/37/81/494873781.db2.gz NCZYQEUGSALDMG-UHFFFAOYSA-N 0 3 360.410 3.482 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000110229455 494959973 /nfs/dbraw/zinc/95/99/73/494959973.db2.gz BIFJXGQPGCUXJK-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC)cc1 ZINC000127745427 494991174 /nfs/dbraw/zinc/99/11/74/494991174.db2.gz MKEVZJBOHTYVIV-GOSISDBHSA-N 0 3 369.421 3.233 20 5 FGBDHN COc1ccc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000123265558 495106107 /nfs/dbraw/zinc/10/61/07/495106107.db2.gz APRLKIBVAKWEMI-CYBMUJFWSA-N 0 3 357.410 3.455 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000128542907 495114069 /nfs/dbraw/zinc/11/40/69/495114069.db2.gz PWQJCJWXOOEZCS-LJQANCHMSA-N 0 3 355.438 3.255 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515644 495181214 /nfs/dbraw/zinc/18/12/14/495181214.db2.gz ZOELKOBVYDJAEG-WBVHZDCISA-N 0 3 359.470 3.449 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119557280 495189938 /nfs/dbraw/zinc/18/99/38/495189938.db2.gz HPNNPBBCLXFYRR-KXBFYZLASA-N 0 3 353.422 3.154 20 5 FGBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000103114340 495194494 /nfs/dbraw/zinc/19/44/94/495194494.db2.gz ZPWBCVFAZBOXDD-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119587093 495196598 /nfs/dbraw/zinc/19/65/98/495196598.db2.gz CFKCQBFYHJLYLN-KXBFYZLASA-N 0 3 353.422 3.154 20 5 FGBDHN COc1cc(CN[C@@H](C)CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000119674100 495215094 /nfs/dbraw/zinc/21/50/94/495215094.db2.gz YBGRDBRPTRJYEX-AWEZNQCLSA-N 0 3 360.410 3.043 20 5 FGBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000124928825 495365496 /nfs/dbraw/zinc/36/54/96/495365496.db2.gz HFBPNIIKJLOKDW-SFHVURJKSA-N 0 3 357.385 3.301 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc2C1 ZINC000114489740 495384244 /nfs/dbraw/zinc/38/42/44/495384244.db2.gz CWVFMWBKTDMMMP-SFHVURJKSA-N 0 3 354.406 3.451 20 5 FGBDHN CCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136894283 495408584 /nfs/dbraw/zinc/40/85/84/495408584.db2.gz NSAXFIOYZXKQQS-KRWDZBQOSA-N 0 3 360.410 3.168 20 5 FGBDHN C[C@H](O)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000130670256 495427944 /nfs/dbraw/zinc/42/79/44/495427944.db2.gz CAIVZPPTMIXYJC-JTQLQIEISA-N 0 3 369.215 3.430 20 5 FGBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)COCc2ccccc2F)C2CC2)cc1 ZINC000130688986 495430178 /nfs/dbraw/zinc/43/01/78/495430178.db2.gz MZXCFVDFHVWVNR-IBGZPJMESA-N 0 3 374.412 3.276 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000185333891 495536234 /nfs/dbraw/zinc/53/62/34/495536234.db2.gz BRRCNCAXGMHCJA-IBGZPJMESA-N 0 3 371.412 3.374 20 5 FGBDHN CCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000158665156 495561997 /nfs/dbraw/zinc/56/19/97/495561997.db2.gz RCOIGFJZPCXUPV-UHFFFAOYSA-N 0 3 369.215 3.432 20 5 FGBDHN C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154963254 495786548 /nfs/dbraw/zinc/78/65/48/495786548.db2.gz YVBHEXRWDLPDSI-QRWLVFNGSA-N 0 3 373.428 3.458 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H](O)C2)cc1 ZINC000179951965 495797975 /nfs/dbraw/zinc/79/79/75/495797975.db2.gz IAOLSFSPDZKUEF-LJQANCHMSA-N 0 3 364.405 3.014 20 5 FGBDHN O=[N+]([O-])c1cnn(CCNC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000179996435 495815871 /nfs/dbraw/zinc/81/58/71/495815871.db2.gz QQQKYHXOQBUPKT-UHFFFAOYSA-N 0 3 354.332 3.479 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OCCN(C)C)c1 ZINC000151379975 495820971 /nfs/dbraw/zinc/82/09/71/495820971.db2.gz UOGRLGYDQBEZLV-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN CCc1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000174146460 495836936 /nfs/dbraw/zinc/83/69/36/495836936.db2.gz CPBWHPGZCMVBRH-UHFFFAOYSA-N 0 3 371.437 3.028 20 5 FGBDHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000171454062 495881367 /nfs/dbraw/zinc/88/13/67/495881367.db2.gz NCAXDUXRPSRSKY-OAHLLOKOSA-N 0 3 372.450 3.029 20 5 FGBDHN Cc1ccc([C@@H](C)NCCNc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000151763334 495939260 /nfs/dbraw/zinc/93/92/60/495939260.db2.gz MGXPPSWLKJSNEA-LLVKDONJSA-N 0 3 369.347 3.475 20 5 FGBDHN Cc1ccc(S(=O)(=O)CCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180412358 495985766 /nfs/dbraw/zinc/98/57/66/495985766.db2.gz GXNFICALWPOTFR-HNNXBMFYSA-N 0 3 362.451 3.418 20 5 FGBDHN C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000180455931 496001701 /nfs/dbraw/zinc/00/17/01/496001701.db2.gz KMMWZOGRLKYYMQ-BBRMVZONSA-N 0 3 355.394 3.167 20 5 FGBDHN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](c1ccccc1)N(C)C ZINC000186482564 496014208 /nfs/dbraw/zinc/01/42/08/496014208.db2.gz REOBUUYCMJGUKA-ORAYPTAESA-N 0 3 366.421 3.497 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160781882 496040826 /nfs/dbraw/zinc/04/08/26/496040826.db2.gz HCBNDAAVEQXBOQ-CYBMUJFWSA-N 0 3 374.407 3.299 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000183647376 496061358 /nfs/dbraw/zinc/06/13/58/496061358.db2.gz LOZICFHWNFPNKG-HOCLYGCPSA-N 0 3 369.425 3.164 20 5 FGBDHN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180634209 496078705 /nfs/dbraw/zinc/07/87/05/496078705.db2.gz ZMJGIANVIBWVBY-IAGOWNOFSA-N 0 3 358.394 3.140 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000571844006 505826373 /nfs/dbraw/zinc/82/63/73/505826373.db2.gz WNSGPDCENIFHPE-SJLPKXTDSA-N 0 3 361.442 3.121 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000174923137 496166289 /nfs/dbraw/zinc/16/62/89/496166289.db2.gz NCPOWJCGXJVBRU-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN Cc1c(NC(=O)CCN(Cc2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000180858597 496175070 /nfs/dbraw/zinc/17/50/70/496175070.db2.gz ICIKSHRKVZPMQS-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN CC[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177774739 496191272 /nfs/dbraw/zinc/19/12/72/496191272.db2.gz BIUOHLVAXCKWNO-LJQANCHMSA-N 0 3 351.410 3.476 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000181075258 496262229 /nfs/dbraw/zinc/26/22/29/496262229.db2.gz DQULXILSEFFMHF-OAHLLOKOSA-N 0 3 363.483 3.406 20 5 FGBDHN CCNC(=O)C(C)(C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181137379 496282864 /nfs/dbraw/zinc/28/28/64/496282864.db2.gz FYIJQQKFDJRLCQ-SFHVURJKSA-N 0 3 355.438 3.436 20 5 FGBDHN CCC[C@H](NCc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000178053255 496306499 /nfs/dbraw/zinc/30/64/99/496306499.db2.gz XXTOHDYJNOUYCJ-KRWDZBQOSA-N 0 3 352.398 3.202 20 5 FGBDHN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178222269 496374493 /nfs/dbraw/zinc/37/44/93/496374493.db2.gz RGULMXCDMKKHLE-PBHICJAKSA-N 0 3 361.467 3.380 20 5 FGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181409596 496383614 /nfs/dbraw/zinc/38/36/14/496383614.db2.gz JXXPEUSIVGDPIJ-HNNXBMFYSA-N 0 3 369.421 3.451 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](N2CCCCC2)C1 ZINC000153262292 496401562 /nfs/dbraw/zinc/40/15/62/496401562.db2.gz WENHTPGMJGYUQZ-HNNXBMFYSA-N 0 3 368.437 3.234 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000172741698 496411261 /nfs/dbraw/zinc/41/12/61/496411261.db2.gz PGEXJKNACIVZHE-IBGZPJMESA-N 0 3 353.422 3.091 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1 ZINC000172789204 496432074 /nfs/dbraw/zinc/43/20/74/496432074.db2.gz ZLIIDYRUCQDFGD-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000153418778 496449167 /nfs/dbraw/zinc/44/91/67/496449167.db2.gz ROZBREHRLYHBJJ-OAHLLOKOSA-N 0 3 371.437 3.351 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187463918 496452554 /nfs/dbraw/zinc/45/25/54/496452554.db2.gz OGLGHHNFNXCTJY-FQEVSTJZSA-N 0 3 367.449 3.164 20 5 FGBDHN COc1cc(CN(CCO)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000153630343 496524467 /nfs/dbraw/zinc/52/44/67/496524467.db2.gz OCZSWGAIVBDDRM-UHFFFAOYSA-N 0 3 372.421 3.139 20 5 FGBDHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821973 496558890 /nfs/dbraw/zinc/55/88/90/496558890.db2.gz GXMVLDAFQBHTBN-KBXCAEBGSA-N 0 3 372.421 3.196 20 5 FGBDHN Cc1nc(C)c([C@H](C)N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181860335 496576037 /nfs/dbraw/zinc/57/60/37/496576037.db2.gz LWBRQYOOHRVMEH-JSGCOSHPSA-N 0 3 365.455 3.101 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCCCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000175864786 496579117 /nfs/dbraw/zinc/57/91/17/496579117.db2.gz OSMZOAGEQYJQPV-CABCVRRESA-N 0 3 364.471 3.221 20 5 FGBDHN COc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000153810009 496587813 /nfs/dbraw/zinc/58/78/13/496587813.db2.gz NUNFLYZZEMIQHN-KRWDZBQOSA-N 0 3 369.421 3.170 20 5 FGBDHN COc1ccc(OCCN2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173289692 496629013 /nfs/dbraw/zinc/62/90/13/496629013.db2.gz GHFUYABFTKHYKV-INIZCTEOSA-N 0 3 357.410 3.169 20 5 FGBDHN COc1ccc(CN2CCCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cc1 ZINC000185140358 496678176 /nfs/dbraw/zinc/67/81/76/496678176.db2.gz QZUIOZRDKPNYMG-UHFFFAOYSA-N 0 3 371.437 3.324 20 5 FGBDHN C[C@@H](C(=O)N1CCC[C@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185177843 496693193 /nfs/dbraw/zinc/69/31/93/496693193.db2.gz KMHHCLVGNXTDPP-ZBFHGGJFSA-N 0 3 363.433 3.314 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182164213 496693316 /nfs/dbraw/zinc/69/33/16/496693316.db2.gz PQGIYVYTNFETOU-GFCCVEGCSA-N 0 3 371.890 3.331 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182175196 496697646 /nfs/dbraw/zinc/69/76/46/496697646.db2.gz ZICFOFUQLCIMCG-DOMZBBRYSA-N 0 3 350.802 3.339 20 5 FGBDHN Cc1cccnc1[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182174977 496698249 /nfs/dbraw/zinc/69/82/49/496698249.db2.gz ASERBTPIBZYMKV-YJBOKZPZSA-N 0 3 359.426 3.025 20 5 FGBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000182280491 496725577 /nfs/dbraw/zinc/72/55/77/496725577.db2.gz NHUIEPHRHIZNNN-LBPRGKRZSA-N 0 3 357.366 3.003 20 5 FGBDHN COc1ccc(CN[C@@H](C)c2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000268801345 496789386 /nfs/dbraw/zinc/78/93/86/496789386.db2.gz GIILOIICWXTDNC-HNNXBMFYSA-N 0 3 373.453 3.395 20 5 FGBDHN C[C@H](NCCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268864096 496808593 /nfs/dbraw/zinc/80/85/93/496808593.db2.gz KDODEXTYRHQNNB-LBPRGKRZSA-N 0 3 368.480 3.409 20 5 FGBDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268874198 496811484 /nfs/dbraw/zinc/81/14/84/496811484.db2.gz IIFVVVNRQSLUOJ-LRDDRELGSA-N 0 3 372.450 3.441 20 5 FGBDHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)c(F)c1 ZINC000264177222 496829496 /nfs/dbraw/zinc/82/94/96/496829496.db2.gz APFDRBMQEPYYAZ-UHFFFAOYSA-N 0 3 359.401 3.303 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000269449380 496949839 /nfs/dbraw/zinc/94/98/39/496949839.db2.gz QUECDBOYFSTPSL-CYBMUJFWSA-N 0 3 373.457 3.301 20 5 FGBDHN CSc1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195593544 496952498 /nfs/dbraw/zinc/95/24/98/496952498.db2.gz VWAMWNGQMAGRDB-OLZOCXBDSA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000195650584 496958239 /nfs/dbraw/zinc/95/82/39/496958239.db2.gz ZCYKOIBXSWTMGJ-HZPDHXFCSA-N 0 3 374.485 3.045 20 5 FGBDHN COc1cc(CNC[C@@H](O)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000265025904 497033051 /nfs/dbraw/zinc/03/30/51/497033051.db2.gz DSHSPRYCKPLGNN-GOSISDBHSA-N 0 3 372.421 3.043 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248538449 497033274 /nfs/dbraw/zinc/03/32/74/497033274.db2.gz AKCQRNRKXCMAMC-MGPQQGTHSA-N 0 3 351.422 3.074 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCC4(CCCCC4)O3)C2)nc1 ZINC000248843614 497116378 /nfs/dbraw/zinc/11/63/78/497116378.db2.gz ORJDDRLDGQWCJQ-NVXWUHKLSA-N 0 3 360.458 3.358 20 5 FGBDHN O=C(CN[C@H](c1ccccc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192512040 497136102 /nfs/dbraw/zinc/13/61/02/497136102.db2.gz XWARKHOHTUOLRZ-HXUWFJFHSA-N 0 3 351.406 3.225 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000189522049 497148996 /nfs/dbraw/zinc/14/89/96/497148996.db2.gz QHXCXFQPBBNHHK-HOCLYGCPSA-N 0 3 367.471 3.196 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(Cn3cncn3)cc1)CCC2 ZINC000192639549 497172123 /nfs/dbraw/zinc/17/21/23/497172123.db2.gz JLJACYBSBVWMQN-HXUWFJFHSA-N 0 3 363.421 3.402 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000192641773 497173050 /nfs/dbraw/zinc/17/30/50/497173050.db2.gz QFJVNGQMVLOQHP-KRWDZBQOSA-N 0 3 357.458 3.220 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccc(F)cc1)CCC2 ZINC000192728808 497197709 /nfs/dbraw/zinc/19/77/09/497197709.db2.gz GEFIWGGMQJHNRE-LPHOPBHVSA-N 0 3 360.385 3.141 20 5 FGBDHN Cc1cc(NC(=O)C2CCN(C3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000192834541 497225219 /nfs/dbraw/zinc/22/52/19/497225219.db2.gz OHOZUIKVRVHAHR-UHFFFAOYSA-N 0 3 354.410 3.264 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000192949577 497256681 /nfs/dbraw/zinc/25/66/81/497256681.db2.gz QEOXFFMEXJARGV-KBXCAEBGSA-N 0 3 356.401 3.375 20 5 FGBDHN Cc1ccc([C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000237626642 497265652 /nfs/dbraw/zinc/26/56/52/497265652.db2.gz LHANFOSMNBZUDJ-OQBYNLHGSA-N 0 3 371.437 3.173 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC000279190828 497362896 /nfs/dbraw/zinc/36/28/96/497362896.db2.gz JLQDNNLHLUYKLV-UHFFFAOYSA-N 0 3 360.389 3.114 20 5 FGBDHN CN(c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)C1CCN(C)CC1 ZINC000193406759 497372259 /nfs/dbraw/zinc/37/22/59/497372259.db2.gz UFCOXPCKXVEHOL-UHFFFAOYSA-N 0 3 374.466 3.439 20 5 FGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000193641401 497434664 /nfs/dbraw/zinc/43/46/64/497434664.db2.gz JBADRKKZQXMCON-INIZCTEOSA-N 0 3 374.466 3.178 20 5 FGBDHN Cc1ccc([C@H](CCn2cncn2)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000275933290 497465993 /nfs/dbraw/zinc/46/59/93/497465993.db2.gz XWHBCACZBMZSNK-IBGZPJMESA-N 0 3 351.410 3.416 20 5 FGBDHN COc1cc(CN[C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000272002564 497508709 /nfs/dbraw/zinc/50/87/09/497508709.db2.gz OKZUXTBFPWFDQY-GJZGRUSLSA-N 0 3 352.431 3.295 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262483065 497564163 /nfs/dbraw/zinc/56/41/63/497564163.db2.gz ZRDVBTCUYFLEDS-UGSOOPFHSA-N 0 3 371.462 3.079 20 5 FGBDHN COc1cc(CNC2CCSCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272250279 497576700 /nfs/dbraw/zinc/57/67/00/497576700.db2.gz BXYGTEXVRUKWBH-UHFFFAOYSA-N 0 3 362.398 3.233 20 5 FGBDHN COc1cc(CNCCCSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272427285 497626502 /nfs/dbraw/zinc/62/65/02/497626502.db2.gz MUFJFCAHKNFBSG-UHFFFAOYSA-N 0 3 350.387 3.090 20 5 FGBDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246244210 497673856 /nfs/dbraw/zinc/67/38/56/497673856.db2.gz XEVGNHJCPAECEP-APWZRJJASA-N 0 3 372.421 3.180 20 5 FGBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268378797 497737119 /nfs/dbraw/zinc/73/71/19/497737119.db2.gz NOXXPFHVDDBXGL-MFKMUULPSA-N 0 3 359.348 3.072 20 5 FGBDHN COc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273006515 497783905 /nfs/dbraw/zinc/78/39/05/497783905.db2.gz BBQIOEGEDQHGJE-NVXWUHKLSA-N 0 3 372.368 3.252 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cc2ccccc2s1 ZINC000569498909 505949907 /nfs/dbraw/zinc/94/99/07/505949907.db2.gz IGPWTTLBWDCAGZ-AWEZNQCLSA-N 0 3 358.419 3.339 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000301161425 497978267 /nfs/dbraw/zinc/97/82/67/497978267.db2.gz AOZHEPOXHJOTHP-IBGZPJMESA-N 0 3 369.469 3.089 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000364551562 498019321 /nfs/dbraw/zinc/01/93/21/498019321.db2.gz VQZWIXXQGGMLOU-SFHVURJKSA-N 0 3 367.449 3.166 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCSc2ccccc21 ZINC000578549999 505965875 /nfs/dbraw/zinc/96/58/75/505965875.db2.gz KPWYPNYPTYMPJP-ZFWWWQNUSA-N 0 3 360.435 3.161 20 5 FGBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN([C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296531043 498081760 /nfs/dbraw/zinc/08/17/60/498081760.db2.gz QLOJFBYBNPRDQH-YYFZDKIDSA-N 0 3 365.433 3.253 20 5 FGBDHN CCc1cc(N(C)[C@H]2CCN(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526482 498148597 /nfs/dbraw/zinc/14/85/97/498148597.db2.gz HZNZDVXUUIETKT-KDOFPFPSSA-N 0 3 369.469 3.391 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CC2)C[C@H](C)C1 ZINC000296743563 498178898 /nfs/dbraw/zinc/17/88/98/498178898.db2.gz PAKMVTIXKSBCSX-KGLIPLIRSA-N 0 3 371.441 3.122 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c(Cl)c1 ZINC000301756759 498252967 /nfs/dbraw/zinc/25/29/67/498252967.db2.gz YIOXQQMOXZLSBQ-HNNXBMFYSA-N 0 3 353.850 3.329 20 5 FGBDHN O=C(CN[C@H]1CCCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281931605 498324772 /nfs/dbraw/zinc/32/47/72/498324772.db2.gz DJPNCMBTEJFFAW-HNNXBMFYSA-N 0 3 367.833 3.126 20 5 FGBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c(Cl)c1 ZINC000302047573 498383758 /nfs/dbraw/zinc/38/37/58/498383758.db2.gz LQHSRQZDUYBSCF-INIZCTEOSA-N 0 3 361.829 3.427 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302175917 498429009 /nfs/dbraw/zinc/42/90/09/498429009.db2.gz OJZRCDCXSCSFAJ-WBVHZDCISA-N 0 3 370.453 3.345 20 5 FGBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302241346 498457443 /nfs/dbraw/zinc/45/74/43/498457443.db2.gz IITGVALMDSDDSY-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN CSc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293695883 498457789 /nfs/dbraw/zinc/45/77/89/498457789.db2.gz MTWYTJGMLJEXJU-CYBMUJFWSA-N 0 3 363.483 3.263 20 5 FGBDHN CSc1ccc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000293695886 498458010 /nfs/dbraw/zinc/45/80/10/498458010.db2.gz MTWYTJGMLJEXJU-ZDUSSCGKSA-N 0 3 363.483 3.263 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1cnc(C2OCCO2)s1 ZINC000290202194 498463135 /nfs/dbraw/zinc/46/31/35/498463135.db2.gz DDDWWICWVAOMEX-UHFFFAOYSA-N 0 3 369.830 3.082 20 5 FGBDHN C[C@@H](CN1CCCCCC1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000302397699 498476848 /nfs/dbraw/zinc/47/68/48/498476848.db2.gz KLZNISJSEXXPJO-NSHDSACASA-N 0 3 357.252 3.429 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302675673 498529631 /nfs/dbraw/zinc/52/96/31/498529631.db2.gz PTGUMIOXRDRALI-HNNXBMFYSA-N 0 3 371.485 3.137 20 5 FGBDHN C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000575996877 506052209 /nfs/dbraw/zinc/05/22/09/506052209.db2.gz CWERDLSCKDTYRP-YZVOILCLSA-N 0 3 353.422 3.435 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000332142909 498577490 /nfs/dbraw/zinc/57/74/90/498577490.db2.gz HBFLBSZLDOCGRT-ZBFHGGJFSA-N 0 3 363.483 3.162 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365747170 498623060 /nfs/dbraw/zinc/62/30/60/498623060.db2.gz OWZMWYFMYFYLLJ-RBUKOAKNSA-N 0 3 365.433 3.189 20 5 FGBDHN Cc1c(F)cccc1NC(=O)CCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000581880052 506082123 /nfs/dbraw/zinc/08/21/23/506082123.db2.gz OONVTRKMISGZBX-UHFFFAOYSA-N 0 3 361.373 3.040 20 5 FGBDHN CNc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000312551999 498762018 /nfs/dbraw/zinc/76/20/18/498762018.db2.gz XKWOQQJNPXPPES-PBHICJAKSA-N 0 3 368.437 3.029 20 5 FGBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCN(C2CCCC2)CC1 ZINC000295333717 498983433 /nfs/dbraw/zinc/98/34/33/498983433.db2.gz PJCDQMCVMJXNAX-UHFFFAOYSA-N 0 3 373.453 3.081 20 5 FGBDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283962073 499020487 /nfs/dbraw/zinc/02/04/87/499020487.db2.gz GDQIMPNITUZDKB-NWDGAFQWSA-N 0 3 354.410 3.108 20 5 FGBDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000364015532 499086639 /nfs/dbraw/zinc/08/66/39/499086639.db2.gz VRUIHFPJTWFHJL-HNNXBMFYSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]n1 ZINC000364015532 499086645 /nfs/dbraw/zinc/08/66/45/499086645.db2.gz VRUIHFPJTWFHJL-HNNXBMFYSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000372543810 499143787 /nfs/dbraw/zinc/14/37/87/499143787.db2.gz JFZGCENVNJDZHN-HKUYNNGSSA-N 0 3 368.437 3.063 20 5 FGBDHN CN1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)C1=O ZINC000372559329 499145792 /nfs/dbraw/zinc/14/57/92/499145792.db2.gz ZJPNBOLMNQRWQL-MRXNPFEDSA-N 0 3 371.359 3.058 20 5 FGBDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000372741933 499168752 /nfs/dbraw/zinc/16/87/52/499168752.db2.gz OPHAJMWWINZPKG-GOSISDBHSA-N 0 3 371.441 3.111 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000370084684 499177348 /nfs/dbraw/zinc/17/73/48/499177348.db2.gz XSPOIPBSDUAZCQ-UHFFFAOYSA-N 0 3 371.393 3.423 20 5 FGBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cncnc2)cc1 ZINC000370365910 499213326 /nfs/dbraw/zinc/21/33/26/499213326.db2.gz HXBUJJXCGZKAPE-JLTOFOAXSA-N 0 3 364.405 3.436 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccc(Cl)c1 ZINC000370524081 499228521 /nfs/dbraw/zinc/22/85/21/499228521.db2.gz RPFYDGXIKRBTDK-CXAGYDPISA-N 0 3 374.828 3.066 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373488923 499472958 /nfs/dbraw/zinc/47/29/58/499472958.db2.gz IRZUIAYVYFCHNK-UHFFFAOYSA-N 0 3 357.376 3.490 20 5 FGBDHN CN(CCNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000386739987 499549154 /nfs/dbraw/zinc/54/91/54/499549154.db2.gz XYXUGCAXHJLIOK-UHFFFAOYSA-N 0 3 365.231 3.296 20 5 FGBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000376971545 499650786 /nfs/dbraw/zinc/65/07/86/499650786.db2.gz LBVMBCZMHDGTQD-UHFFFAOYSA-N 0 3 371.359 3.130 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410552662 499667442 /nfs/dbraw/zinc/66/74/42/499667442.db2.gz CWOKTTYHUZMYQX-OLZOCXBDSA-N 0 3 371.359 3.312 20 5 FGBDHN CSc1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000411462855 499743934 /nfs/dbraw/zinc/74/39/34/499743934.db2.gz VKCMZLILLXMBMG-CZUORRHYSA-N 0 3 362.451 3.407 20 5 FGBDHN COc1ccc(NC(=O)CCNC(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000411526545 499751511 /nfs/dbraw/zinc/75/15/11/499751511.db2.gz MDDHNCXFXYMTBK-UHFFFAOYSA-N 0 3 372.425 3.160 20 5 FGBDHN CN1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H]1c1cccnc1 ZINC000377975585 499752449 /nfs/dbraw/zinc/75/24/49/499752449.db2.gz VJOGPWDXKOBHGT-LIRRHRJNSA-N 0 3 353.426 3.063 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411953508 499806140 /nfs/dbraw/zinc/80/61/40/499806140.db2.gz UIGDBBUDOMJZQP-PKOBYXMFSA-N 0 3 369.421 3.040 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412072669 499820547 /nfs/dbraw/zinc/82/05/47/499820547.db2.gz LIMRIVABZGJCTG-CVEARBPZSA-N 0 3 363.458 3.414 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412234297 499836536 /nfs/dbraw/zinc/83/65/36/499836536.db2.gz PSSJACWIVQLNIT-UIAACRFSSA-N 0 3 367.449 3.335 20 5 FGBDHN C[C@H](C(=O)N1CCCN(CC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000412312671 499843986 /nfs/dbraw/zinc/84/39/86/499843986.db2.gz PWEBSJWPNOZOIC-AWEZNQCLSA-N 0 3 363.433 3.172 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412369057 499849488 /nfs/dbraw/zinc/84/94/88/499849488.db2.gz HSTFMOCEBYOMNQ-YTQUADARSA-N 0 3 359.470 3.325 20 5 FGBDHN NC(=O)CC1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000421352589 500024409 /nfs/dbraw/zinc/02/44/09/500024409.db2.gz QYSSHOFUBDLLID-UHFFFAOYSA-N 0 3 373.384 3.271 20 5 FGBDHN CC(C)(NC[C@H](O)COCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429261396 500036545 /nfs/dbraw/zinc/03/65/45/500036545.db2.gz PQSLDXJVZXSIKV-HNNXBMFYSA-N 0 3 362.401 3.136 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)[C@@H]1OC ZINC000429295965 500045876 /nfs/dbraw/zinc/04/58/76/500045876.db2.gz BWFXGBBWTLEVJG-XWIAVFTESA-N 0 3 363.458 3.271 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(CC)CC ZINC000429344248 500056499 /nfs/dbraw/zinc/05/64/99/500056499.db2.gz LMACDJGTOUATLP-IRXDYDNUSA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1sc(C(=O)Nc2ccc(OCCN(C)C)cc2F)cc1[N+](=O)[O-] ZINC000413902664 500091479 /nfs/dbraw/zinc/09/14/79/500091479.db2.gz PFAIZLBBIYRUHS-UHFFFAOYSA-N 0 3 367.402 3.297 20 5 FGBDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440742 500106825 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3.367 20 5 FGBDHN CCCCn1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)n1 ZINC000447573534 500627464 /nfs/dbraw/zinc/62/74/64/500627464.db2.gz ICCUNACXVSHWQZ-IRXDYDNUSA-N 0 3 360.462 3.370 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000433900879 500762131 /nfs/dbraw/zinc/76/21/31/500762131.db2.gz KPMWGIXDQOSYFK-RHSMWYFYSA-N 0 3 360.458 3.280 20 5 FGBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000438286855 500763333 /nfs/dbraw/zinc/76/33/33/500763333.db2.gz VAWFCHRZOKVUAT-OAHLLOKOSA-N 0 3 373.453 3.132 20 5 FGBDHN CC(C)NC(=O)c1ccc(NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443957186 500783634 /nfs/dbraw/zinc/78/36/34/500783634.db2.gz KKGSZLVONCWQRR-UHFFFAOYSA-N 0 3 362.474 3.267 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000434501079 500853293 /nfs/dbraw/zinc/85/32/93/500853293.db2.gz VISMSBSXBGRNQJ-QGZVFWFLSA-N 0 3 374.412 3.295 20 5 FGBDHN COC(=O)C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444689588 500879240 /nfs/dbraw/zinc/87/92/40/500879240.db2.gz OMEPLXLJVFTISK-HNNXBMFYSA-N 0 3 360.414 3.073 20 5 FGBDHN COc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000449061947 500914997 /nfs/dbraw/zinc/91/49/97/500914997.db2.gz XKHBQTXAZFWDFD-CYBMUJFWSA-N 0 3 357.410 3.283 20 5 FGBDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000435046483 500926065 /nfs/dbraw/zinc/92/60/65/500926065.db2.gz SHEPSUAJVXPVAX-OAHLLOKOSA-N 0 3 359.426 3.007 20 5 FGBDHN CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449501742 501019507 /nfs/dbraw/zinc/01/95/07/501019507.db2.gz WBPKKNZAHKMYHJ-KBXCAEBGSA-N 0 3 358.442 3.242 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000449532880 501027179 /nfs/dbraw/zinc/02/71/79/501027179.db2.gz DSXOVNJHSNHADX-NVXWUHKLSA-N 0 3 373.409 3.017 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449812089 501094768 /nfs/dbraw/zinc/09/47/68/501094768.db2.gz BOACCBNZOZLXSZ-KRWDZBQOSA-N 0 3 361.442 3.017 20 5 FGBDHN CCN1CCC(N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000436356381 501113715 /nfs/dbraw/zinc/11/37/15/501113715.db2.gz GIPGZCBFUMKMOW-UHFFFAOYSA-N 0 3 363.461 3.238 20 5 FGBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC000436376457 501116697 /nfs/dbraw/zinc/11/66/97/501116697.db2.gz HSQJGZCRFLGBIP-HKUYNNGSSA-N 0 3 350.459 3.374 20 5 FGBDHN CO[C@@H](CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC000602641976 506242503 /nfs/dbraw/zinc/24/25/03/506242503.db2.gz WRILDHSUBDALNV-HNNXBMFYSA-N 0 3 362.348 3.145 20 5 FGBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450206409 501210453 /nfs/dbraw/zinc/21/04/53/501210453.db2.gz VVIZVUCUEAUKLL-CYBMUJFWSA-N 0 3 373.375 3.464 20 5 FGBDHN O=C(CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000450882473 501223528 /nfs/dbraw/zinc/22/35/28/501223528.db2.gz NXCPZQVGMBUGDB-UHFFFAOYSA-N 0 3 360.389 3.230 20 5 FGBDHN C[C@H](NCCC(=O)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000451103357 501246033 /nfs/dbraw/zinc/24/60/33/501246033.db2.gz NGKLXEHSGUPRFQ-HNNXBMFYSA-N 0 3 353.422 3.220 20 5 FGBDHN C[C@@]12CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359167 501274401 /nfs/dbraw/zinc/27/44/01/501274401.db2.gz CMVRKIZTALXQAK-DZASIIFFSA-N 0 3 352.394 3.289 20 5 FGBDHN Cc1cccc2c1OCC[C@H]2NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602647585 506244335 /nfs/dbraw/zinc/24/43/35/506244335.db2.gz UWMWMLIIFUWYMD-GOSISDBHSA-N 0 3 368.437 3.380 20 5 FGBDHN Cc1ccc([C@H](C)NCCc2cnc3c(Cl)cnn3c2)cc1[N+](=O)[O-] ZINC000453218700 501292929 /nfs/dbraw/zinc/29/29/29/501292929.db2.gz KTVVRMPAAPTNAF-LBPRGKRZSA-N 0 3 359.817 3.493 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000453245654 501297974 /nfs/dbraw/zinc/29/79/74/501297974.db2.gz LOCFSKPHUQPBQB-DYVFJYSZSA-N 0 3 362.401 3.387 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453592019 501356235 /nfs/dbraw/zinc/35/62/35/501356235.db2.gz SEYRWCGUQWQPBI-HXUWFJFHSA-N 0 3 368.437 3.121 20 5 FGBDHN COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000453600831 501358249 /nfs/dbraw/zinc/35/82/49/501358249.db2.gz QZBNOEHSZUTPIY-NSHDSACASA-N 0 3 364.373 3.178 20 5 FGBDHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000458883518 501551742 /nfs/dbraw/zinc/55/17/42/501551742.db2.gz BSOFMNUBLPLUTP-SCLBCKFNSA-N 0 3 374.416 3.397 20 5 FGBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454727213 501616439 /nfs/dbraw/zinc/61/64/39/501616439.db2.gz OUMNCUNATNGTAG-GDIGMMSISA-N 0 3 368.437 3.400 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087551 501648213 /nfs/dbraw/zinc/64/82/13/501648213.db2.gz PZBMKQAZCZVBCA-UKRRQHHQSA-N 0 3 351.472 3.017 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cnccc2C(F)(F)F)n1 ZINC000596118170 506267414 /nfs/dbraw/zinc/26/74/14/506267414.db2.gz RJXTWMUKYWOULI-KGLIPLIRSA-N 0 3 369.347 3.479 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611711437 506267536 /nfs/dbraw/zinc/26/75/36/506267536.db2.gz NEVIABFJVQQSPX-UHFFFAOYSA-N 0 3 369.400 3.245 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCCCC3)[C@H]2c2ccccc2)c1 ZINC000459760218 501710117 /nfs/dbraw/zinc/71/01/17/501710117.db2.gz WPYFPYFTZYOBEG-RBUKOAKNSA-N 0 3 370.453 3.160 20 5 FGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000474211175 501745335 /nfs/dbraw/zinc/74/53/35/501745335.db2.gz NCWYUWSQFHTMRX-SFHVURJKSA-N 0 3 355.438 3.180 20 5 FGBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000474344970 501798517 /nfs/dbraw/zinc/79/85/17/501798517.db2.gz FCHWZXXJJQFNIK-ZDUSSCGKSA-N 0 3 364.423 3.449 20 5 FGBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1=CCN(C)CC1 ZINC000485414585 501815759 /nfs/dbraw/zinc/81/57/59/501815759.db2.gz XNQLYVWWFAMNJI-CYBMUJFWSA-N 0 3 356.401 3.280 20 5 FGBDHN CC(C)(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000602726192 506275724 /nfs/dbraw/zinc/27/57/24/506275724.db2.gz WCTAIIPIBZFJBF-UHFFFAOYSA-N 0 3 373.375 3.352 20 5 FGBDHN C[C@@H](NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000477928545 501831066 /nfs/dbraw/zinc/83/10/66/501831066.db2.gz DUDYLQXLACYIEG-TZMCWYRMSA-N 0 3 350.365 3.375 20 5 FGBDHN C[C@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467833563 501887346 /nfs/dbraw/zinc/88/73/46/501887346.db2.gz KOFTVANJXXQGQT-INIZCTEOSA-N 0 3 372.444 3.207 20 5 FGBDHN C[C@@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467833564 501887367 /nfs/dbraw/zinc/88/73/67/501887367.db2.gz KOFTVANJXXQGQT-MRXNPFEDSA-N 0 3 372.444 3.207 20 5 FGBDHN C[C@H](NCCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000467840575 501887786 /nfs/dbraw/zinc/88/77/86/501887786.db2.gz VKIGEGDPBCDRBU-ZDUSSCGKSA-N 0 3 359.451 3.282 20 5 FGBDHN C[C@@H]1[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000464077514 501891329 /nfs/dbraw/zinc/89/13/29/501891329.db2.gz SDEAHJXEGHETDK-ZOCIIQOWSA-N 0 3 374.462 3.150 20 5 FGBDHN Cc1ccc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022127 501895332 /nfs/dbraw/zinc/89/53/32/501895332.db2.gz LZANRRRXPFGKMX-MJGOQNOKSA-N 0 3 370.449 3.441 20 5 FGBDHN CCOc1ccc(C(=O)Nc2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000474628796 501900481 /nfs/dbraw/zinc/90/04/81/501900481.db2.gz BHERHRWFXVZBEW-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cc(F)cc(Br)c1 ZINC000485806268 501946204 /nfs/dbraw/zinc/94/62/04/501946204.db2.gz OFXCFDCGNQCYLR-CYBMUJFWSA-N 0 3 371.210 3.434 20 5 FGBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464346122 501961851 /nfs/dbraw/zinc/96/18/51/501961851.db2.gz HMLUIMYSGDTZGT-HNNXBMFYSA-N 0 3 357.410 3.335 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1c(C)nn(C)c1OC ZINC000461092321 502010707 /nfs/dbraw/zinc/01/07/07/502010707.db2.gz XYMXLEQGRRURBG-ZDUSSCGKSA-N 0 3 364.471 3.306 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1c(C)nn(C)c1OC ZINC000461092320 502010851 /nfs/dbraw/zinc/01/08/51/502010851.db2.gz XYMXLEQGRRURBG-CYBMUJFWSA-N 0 3 364.471 3.306 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1cccc(C)c1 ZINC000468650181 502135685 /nfs/dbraw/zinc/13/56/85/502135685.db2.gz GMTLCNRXJVGLRT-WJDWOHSUSA-N 0 3 353.422 3.326 20 5 FGBDHN CCOc1cc(N2CCN(CC3(OC)CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000475509956 502196731 /nfs/dbraw/zinc/19/67/31/502196731.db2.gz QGXUCGYYWQEFKN-UHFFFAOYSA-N 0 3 363.458 3.075 20 5 FGBDHN O=C(NC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000482906785 502213134 /nfs/dbraw/zinc/21/31/34/502213134.db2.gz SEWTXTGLXNBEGJ-GOSISDBHSA-N 0 3 367.449 3.279 20 5 FGBDHN COC(=O)COc1ccc(CN(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475576860 502217585 /nfs/dbraw/zinc/21/75/85/502217585.db2.gz YPOFVXXFUMIQEJ-CQSZACIVSA-N 0 3 358.394 3.340 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475707391 502259359 /nfs/dbraw/zinc/25/93/59/502259359.db2.gz SLUKSJGUGAFXFI-UONOGXRCSA-N 0 3 350.415 3.015 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000462163473 502330481 /nfs/dbraw/zinc/33/04/81/502330481.db2.gz KGVZGCBMBHGADL-HNAYVOBHSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000462169428 502332254 /nfs/dbraw/zinc/33/22/54/502332254.db2.gz ZXSUJMCDWMCVBR-MAUKXSAKSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000462198478 502345379 /nfs/dbraw/zinc/34/53/79/502345379.db2.gz JGROLRORICEFLL-MAUKXSAKSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727801 502358241 /nfs/dbraw/zinc/35/82/41/502358241.db2.gz BYTFOJGPRNZCAS-IEBWSBKVSA-N 0 3 368.437 3.148 20 5 FGBDHN Cc1c(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727800 502358449 /nfs/dbraw/zinc/35/84/49/502358449.db2.gz BYTFOJGPRNZCAS-HKUYNNGSSA-N 0 3 368.437 3.148 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(CO)Cc1ccccc1 ZINC000483649591 502451915 /nfs/dbraw/zinc/45/19/15/502451915.db2.gz WYTOUBMDHPNVAW-FQEVSTJZSA-N 0 3 358.438 3.324 20 5 FGBDHN CCN(CCN1CCCCCC1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000480296676 502529390 /nfs/dbraw/zinc/52/93/90/502529390.db2.gz SIUAQPQFGWEGEZ-UHFFFAOYSA-N 0 3 364.446 3.333 20 5 FGBDHN COC(=O)c1c(Cl)c(N2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596230426 506322479 /nfs/dbraw/zinc/32/24/79/506322479.db2.gz AXIGQJUCXCPOSE-NEPJUHHUSA-N 0 3 367.833 3.098 20 5 FGBDHN C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000484333778 502627075 /nfs/dbraw/zinc/62/70/75/502627075.db2.gz BBCFZTQAFMRXCW-DNVCBOLYSA-N 0 3 368.437 3.057 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000462923262 502628159 /nfs/dbraw/zinc/62/81/59/502628159.db2.gz GHKWDURVYAEPNQ-SJLPKXTDSA-N 0 3 361.486 3.400 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000470170776 502692129 /nfs/dbraw/zinc/69/21/29/502692129.db2.gz AFJVQUACAJTAMJ-XSVZSIDJSA-N 0 3 357.454 3.333 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000477350144 502750851 /nfs/dbraw/zinc/75/08/51/502750851.db2.gz BOGSQELQVZCINU-AWEZNQCLSA-N 0 3 351.834 3.257 20 5 FGBDHN COC(=O)c1c(Cl)c(NC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000596265329 506333888 /nfs/dbraw/zinc/33/38/88/506333888.db2.gz JOOPJKROAKXXKM-UHFFFAOYSA-N 0 3 355.822 3.321 20 5 FGBDHN CN(C)[C@]1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCSC1 ZINC000481217676 502787129 /nfs/dbraw/zinc/78/71/29/502787129.db2.gz HTIVRDLEJPQVJI-SFHVURJKSA-N 0 3 365.499 3.059 20 5 FGBDHN COC(=O)C[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000513122026 502857273 /nfs/dbraw/zinc/85/72/73/502857273.db2.gz KWAPWOMUXIPLSM-LJQANCHMSA-N 0 3 360.385 3.345 20 5 FGBDHN Cc1cccc(N2CCN(CCCCNc3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000513153490 502865937 /nfs/dbraw/zinc/86/59/37/502865937.db2.gz HKDMRAHMNINCDU-UHFFFAOYSA-N 0 3 369.469 3.313 20 5 FGBDHN CN(C(=O)CNC(C)(C)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000500822842 502870823 /nfs/dbraw/zinc/87/08/23/502870823.db2.gz RLEUMLNZCBVYEH-UHFFFAOYSA-N 0 3 371.437 3.143 20 5 FGBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513224321 502883425 /nfs/dbraw/zinc/88/34/25/502883425.db2.gz UCVZGFCQOVWWKX-GFCCVEGCSA-N 0 3 353.382 3.151 20 5 FGBDHN O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593019077 506340131 /nfs/dbraw/zinc/34/01/31/506340131.db2.gz PBGIJPGVZAIACI-STQMWFEESA-N 0 3 358.316 3.232 20 5 FGBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])CC1CCN(c2ccncc2)CC1 ZINC000501047230 502921576 /nfs/dbraw/zinc/92/15/76/502921576.db2.gz NMKUFIYJZKSREJ-UHFFFAOYSA-N 0 3 358.417 3.477 20 5 FGBDHN O=C(CCN1CC[C@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501058254 502924095 /nfs/dbraw/zinc/92/40/95/502924095.db2.gz IYRBIHLMRFVTAE-INIZCTEOSA-N 0 3 369.421 3.324 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@H]2COc3ccccc32)c1 ZINC000593023949 506342452 /nfs/dbraw/zinc/34/24/52/506342452.db2.gz HYBSUEOTBPHVID-MLGOLLRUSA-N 0 3 356.378 3.036 20 5 FGBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000501164072 502952130 /nfs/dbraw/zinc/95/21/30/502952130.db2.gz QLELZRNUXYZDHT-LJQANCHMSA-N 0 3 369.421 3.169 20 5 FGBDHN CCc1nn(C)c(NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000588810142 506343773 /nfs/dbraw/zinc/34/37/73/506343773.db2.gz RRFPXVVMWJKYTQ-KRWDZBQOSA-N 0 3 373.457 3.148 20 5 FGBDHN COc1ccc(OCCN2CCc3cccc(OC)c3CC2)c([N+](=O)[O-])c1 ZINC000489474926 502967860 /nfs/dbraw/zinc/96/78/60/502967860.db2.gz LKMULYGGLIPENC-UHFFFAOYSA-N 0 3 372.421 3.092 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000497722976 503024440 /nfs/dbraw/zinc/02/44/40/503024440.db2.gz HKZYPNCZDONXBC-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN COc1ccc(CNC[C@@H](O)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510276900 503083310 /nfs/dbraw/zinc/08/33/10/503083310.db2.gz IJKPISATLXPOSA-GOSISDBHSA-N 0 3 372.421 3.043 20 5 FGBDHN COc1cc(CN(CCO)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490007295 503088646 /nfs/dbraw/zinc/08/86/46/503088646.db2.gz UXVZUTDREWHETK-GOSISDBHSA-N 0 3 356.422 3.475 20 5 FGBDHN COC[C@@H](Cc1ccccc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501957529 503115634 /nfs/dbraw/zinc/11/56/34/503115634.db2.gz YFILOGNBBIAQNW-QGZVFWFLSA-N 0 3 371.437 3.113 20 5 FGBDHN O=C(c1cc(NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599163137 506352677 /nfs/dbraw/zinc/35/26/77/506352677.db2.gz BQDDBDHWTMBOEX-QGZVFWFLSA-N 0 3 372.469 3.260 20 5 FGBDHN CC(C)(NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000490382920 503165364 /nfs/dbraw/zinc/16/53/64/503165364.db2.gz WZPZBEKQRCZQTQ-HNNXBMFYSA-N 0 3 360.458 3.146 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC(CCF)CC2)c([N+](=O)[O-])c1 ZINC000602946999 506361707 /nfs/dbraw/zinc/36/17/07/506361707.db2.gz GJUAPAMZITZDLU-UHFFFAOYSA-N 0 3 353.394 3.004 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511363782 503307187 /nfs/dbraw/zinc/30/71/87/503307187.db2.gz VNCNNOJRTPRVIW-CYBMUJFWSA-N 0 3 363.483 3.476 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507601720 503329337 /nfs/dbraw/zinc/32/93/37/503329337.db2.gz PJGXJJQMFLPVBI-DZGCQCFKSA-N 0 3 357.385 3.299 20 5 FGBDHN O=c1ccccn1C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000503269489 503381130 /nfs/dbraw/zinc/38/11/30/503381130.db2.gz MEPLYEUYAFKAQL-HXUWFJFHSA-N 0 3 363.417 3.330 20 5 FGBDHN CCCC[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000492843574 503388645 /nfs/dbraw/zinc/38/86/45/503388645.db2.gz CABGDVXUAQFHFY-CHWSQXEVSA-N 0 3 363.414 3.211 20 5 FGBDHN O=C(CN[C@H]1CCC[C@H]1OCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000503530412 503431282 /nfs/dbraw/zinc/43/12/82/503431282.db2.gz FUNNFCZDQCPWHM-PKOBYXMFSA-N 0 3 369.421 3.261 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000499668472 503453557 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0 3 370.453 3.128 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000500536550 503643246 /nfs/dbraw/zinc/64/32/46/503643246.db2.gz ZLKDCCNBWCXGRO-PBHICJAKSA-N 0 3 374.441 3.159 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000512875122 503649121 /nfs/dbraw/zinc/64/91/21/503649121.db2.gz ZBXOHSLQTDKLPO-FXFXYLOPSA-N 0 3 372.469 3.268 20 5 FGBDHN CCc1ccc(C(C)(C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000543183703 503666331 /nfs/dbraw/zinc/66/63/31/503666331.db2.gz PQCPPIMBQCCHQW-QGZVFWFLSA-N 0 3 358.438 3.422 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000540185022 503700821 /nfs/dbraw/zinc/70/08/21/503700821.db2.gz ZDBOKFRDYRGGNL-KGLIPLIRSA-N 0 3 365.499 3.455 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)c1c(F)cccc1F ZINC000536863966 503743213 /nfs/dbraw/zinc/74/32/13/503743213.db2.gz MFCASHJZNPIAPC-GFCCVEGCSA-N 0 3 363.364 3.262 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000540546089 503812328 /nfs/dbraw/zinc/81/23/28/503812328.db2.gz ZCUKELJQXCPPLQ-KRWDZBQOSA-N 0 3 371.437 3.335 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCCc3ccccc32)cc1 ZINC000543599339 503824952 /nfs/dbraw/zinc/82/49/52/503824952.db2.gz USSKZONIFFLYLC-IBGZPJMESA-N 0 3 374.462 3.426 20 5 FGBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537260358 503862249 /nfs/dbraw/zinc/86/22/49/503862249.db2.gz TUBMTBDQNPQXGO-INIZCTEOSA-N 0 3 370.453 3.363 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3cccc(F)c3)o2)c1 ZINC000543813016 503903045 /nfs/dbraw/zinc/90/30/45/503903045.db2.gz NGUVIKROSMVOQE-QGZVFWFLSA-N 0 3 371.368 3.255 20 5 FGBDHN C[C@@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCc2ccccc21 ZINC000540907128 503932674 /nfs/dbraw/zinc/93/26/74/503932674.db2.gz HZHJJOMESVDDDC-OAQYLSRUSA-N 0 3 365.433 3.325 20 5 FGBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537728899 504019248 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20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000541913573 504299619 /nfs/dbraw/zinc/29/96/19/504299619.db2.gz PPRCYAFFPIRURW-LBPRGKRZSA-N 0 3 371.384 3.046 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000519785320 504338133 /nfs/dbraw/zinc/33/81/33/504338133.db2.gz ULWXLDCUKXYEOQ-CQSZACIVSA-N 0 3 366.421 3.326 20 5 FGBDHN C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000535257760 504385560 /nfs/dbraw/zinc/38/55/60/504385560.db2.gz KQBXZGFCORYFBJ-HNAYVOBHSA-N 0 3 370.453 3.128 20 5 FGBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000535382715 504420385 /nfs/dbraw/zinc/42/03/85/504420385.db2.gz RPSOCQHZRXMNBQ-KRWDZBQOSA-N 0 3 356.422 3.128 20 5 FGBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OCCN1CCCC1 ZINC000531888594 504460412 /nfs/dbraw/zinc/46/04/12/504460412.db2.gz GCTFPGVXUOLONL-UHFFFAOYSA-N 0 3 370.409 3.025 20 5 FGBDHN CCOc1ccc([C@@H](C)NCC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000536626083 504771260 /nfs/dbraw/zinc/77/12/60/504771260.db2.gz AWHXBBAQQIMMNS-CQSZACIVSA-N 0 3 356.422 3.174 20 5 FGBDHN Cc1cc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549459772 504827461 /nfs/dbraw/zinc/82/74/61/504827461.db2.gz CSJRWZQVAVKCPV-UHFFFAOYSA-N 0 3 361.364 3.181 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000553693588 504985111 /nfs/dbraw/zinc/98/51/11/504985111.db2.gz GBBRMXDYLIJNCS-INIZCTEOSA-N 0 3 363.461 3.286 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000556860232 504998037 /nfs/dbraw/zinc/99/80/37/504998037.db2.gz YHKCDFFOPLNUMS-UGSOOPFHSA-N 0 3 362.813 3.265 20 5 FGBDHN C[C@@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000557662341 505195869 /nfs/dbraw/zinc/19/58/69/505195869.db2.gz LURFUSNTURBFJZ-FQEVSTJZSA-N 0 3 368.437 3.160 20 5 FGBDHN CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551573152 505257739 /nfs/dbraw/zinc/25/77/39/505257739.db2.gz MLVITCWTNMXMJY-OAUYIBNBSA-N 0 3 350.459 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ZINC000583894195 507035578 /nfs/dbraw/zinc/03/55/78/507035578.db2.gz IUMGXMNPQURYNU-CYBMUJFWSA-N 0 3 365.480 3.411 20 5 FGBDHN COc1cc(CN2CC[C@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000613380892 507060164 /nfs/dbraw/zinc/06/01/64/507060164.db2.gz ZMRXBGZKRYWNGE-KRWDZBQOSA-N 0 3 373.428 3.449 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594283358 507061344 /nfs/dbraw/zinc/06/13/44/507061344.db2.gz GMCUUBPTGDGZNL-OALUTQOASA-N 0 3 372.469 3.286 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597859285 507137444 /nfs/dbraw/zinc/13/74/44/507137444.db2.gz SRAFLHDAQOVPQL-LBPRGKRZSA-N 0 3 359.348 3.216 20 5 FGBDHN CO[C@](C)(CO)CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594507275 507160727 /nfs/dbraw/zinc/16/07/27/507160727.db2.gz BYAVGVHIVDMUCP-SJCJKPOMSA-N 0 3 350.440 3.371 20 5 FGBDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521900 507170165 /nfs/dbraw/zinc/17/01/65/507170165.db2.gz VLQTZVUVWGNJDA-JYJNAYRXSA-N 0 3 372.425 3.397 20 5 FGBDHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000610272154 507170051 /nfs/dbraw/zinc/17/00/51/507170051.db2.gz DVBXLQGNLHJXGK-DLBZAZTESA-N 0 3 362.426 3.289 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597922651 507176798 /nfs/dbraw/zinc/17/67/98/507176798.db2.gz KBJFXFANSOMWOH-CYBMUJFWSA-N 0 3 374.466 3.321 20 5 FGBDHN CCOC(=O)Cc1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599986 507204537 /nfs/dbraw/zinc/20/45/37/507204537.db2.gz KXCLUNSVHRQIBR-DOTOQJQBSA-N 0 3 361.442 3.129 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594603365 507204745 /nfs/dbraw/zinc/20/47/45/507204745.db2.gz UOFLDQZZTAEHQD-VXGBXAGGSA-N 0 3 355.236 3.181 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594603364 507205935 /nfs/dbraw/zinc/20/59/35/507205935.db2.gz UOFLDQZZTAEHQD-RYUDHWBXSA-N 0 3 355.236 3.181 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)cc1C(F)(F)F ZINC000610468623 507251297 /nfs/dbraw/zinc/25/12/97/507251297.db2.gz CBOVKYJGKBWXFZ-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(Cl)c(Cl)c2)c1 ZINC000594732774 507260213 /nfs/dbraw/zinc/26/02/13/507260213.db2.gz NFRZIHKXDGIHSN-ZDUSSCGKSA-N 0 3 371.220 3.431 20 5 FGBDHN CN1CCC(n2cc(Nc3ccc([N+](=O)[O-])c4cccnc34)cn2)CC1 ZINC000601225634 507302513 /nfs/dbraw/zinc/30/25/13/507302513.db2.gz HRBNTXLKDNTGGD-UHFFFAOYSA-N 0 3 352.398 3.350 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000595013676 507353635 /nfs/dbraw/zinc/35/36/35/507353635.db2.gz RCYTVBMOWGYKIM-CYBMUJFWSA-N 0 3 363.458 3.291 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065311 507375185 /nfs/dbraw/zinc/37/51/85/507375185.db2.gz AACYOYWIKRVWKM-FOIQADDNSA-N 0 3 355.438 3.012 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000601516072 507377664 /nfs/dbraw/zinc/37/76/64/507377664.db2.gz KSSFVXFVHOXMOT-FZKQIMNGSA-N 0 3 359.401 3.464 20 5 FGBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000610770805 507383887 /nfs/dbraw/zinc/38/38/87/507383887.db2.gz GRBMABGYZNNPOB-KRWDZBQOSA-N 0 3 366.421 3.442 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000595094064 507388786 /nfs/dbraw/zinc/38/87/86/507388786.db2.gz BBTSHRGEWKZSPM-ATZDWAIDSA-N 0 3 359.470 3.197 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(=O)(=O)CC)CC1 ZINC000595104346 507393969 /nfs/dbraw/zinc/39/39/69/507393969.db2.gz PJTYPVZJRDOLKY-ZDUSSCGKSA-N 0 3 372.512 3.022 20 5 FGBDHN COC(=O)c1ccnc(NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000598586884 507506339 /nfs/dbraw/zinc/50/63/39/507506339.db2.gz KBZLVTZVXBDOCN-MRXNPFEDSA-N 0 3 370.409 3.025 20 5 FGBDHN Cc1ccc(CNc2ccc(CN3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000611287927 507606553 /nfs/dbraw/zinc/60/65/53/507606553.db2.gz BUTMBVSIRJFXLP-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395778 507660544 /nfs/dbraw/zinc/66/05/44/507660544.db2.gz UHRNUBQSZMYZCR-ICSRJNTNSA-N 0 3 356.422 3.466 20 5 FGBDHN O=[N+]([O-])c1sc(CN2CC[C@@H](N3CCCC3)C2)cc1Br ZINC000602453813 507714262 /nfs/dbraw/zinc/71/42/62/507714262.db2.gz PIEWBKLJKZNJRB-SNVBAGLBSA-N 0 3 360.277 3.089 20 5 FGBDHN COc1cc(CN2CC[C@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000611516326 507715140 /nfs/dbraw/zinc/71/51/40/507715140.db2.gz BXGIRYNDRRMMHC-SFHVURJKSA-N 0 3 355.438 3.310 20 5 FGBDHN COC1CCN(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519743 507719974 /nfs/dbraw/zinc/71/99/74/507719974.db2.gz IVNBAOMGDAXNCS-NRFANRHFSA-N 0 3 369.465 3.385 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@H]2CCN3CCCC[C@H]23)cc1Br ZINC000602514710 507733168 /nfs/dbraw/zinc/73/31/68/507733168.db2.gz PPNRZCRPCFXWDS-NWDGAFQWSA-N 0 3 360.277 3.135 20 5 FGBDHN C[C@H]1C[C@H]1c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602517908 507734849 /nfs/dbraw/zinc/73/48/49/507734849.db2.gz KUTAMUFFFKBBFX-SUMWQHHRSA-N 0 3 356.426 3.465 20 5 FGBDHN CN(C)C(=O)[C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602545568 507744731 /nfs/dbraw/zinc/74/47/31/507744731.db2.gz FWKOZFCKBAJKMD-RISCZKNCSA-N 0 3 373.375 3.350 20 5 FGBDHN Cc1cnc([C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C2CC2)s1 ZINC000602555802 507747541 /nfs/dbraw/zinc/74/75/41/507747541.db2.gz AHUAQBGCQDLQJI-QGZVFWFLSA-N 0 3 373.482 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)nc1-c1ccc(F)cc1 ZINC000485389830 561317920 /nfs/dbraw/zinc/31/79/20/561317920.db2.gz KWGHAYZHMDRLPD-UHFFFAOYSA-N 0 3 374.416 3.055 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000136822924 704864706 /nfs/dbraw/zinc/86/47/06/704864706.db2.gz UEWYPELNQYFEGC-FUHWJXTLSA-N 0 3 362.451 3.371 20 5 FGBDHN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000521943912 714158296 /nfs/dbraw/zinc/15/82/96/714158296.db2.gz XMWCGFSWIMGDHX-ZDUSSCGKSA-N 0 3 369.849 3.466 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](N2CCCC2)C[C@H]1C ZINC000804812748 724553122 /nfs/dbraw/zinc/55/31/22/724553122.db2.gz SJVGCMLAFQGWKS-DGCLKSJQSA-N 0 3 367.833 3.098 20 5 FGBDHN CC1CCC(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000734381655 722506883 /nfs/dbraw/zinc/50/68/83/722506883.db2.gz UALJBPIWLWWBAC-UHFFFAOYSA-N 0 3 362.499 3.488 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2OC(F)(F)F)c1 ZINC000749665852 722736050 /nfs/dbraw/zinc/73/60/50/722736050.db2.gz YEJOJMWFSFNRHM-AWEZNQCLSA-N 0 3 356.300 3.317 20 5 FGBDHN C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000777945151 724273777 /nfs/dbraw/zinc/27/37/77/724273777.db2.gz XWCBUEZMFZWOTI-QWHCGFSZSA-N 0 3 355.385 3.066 20 5 FGBDHN COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000808800318 725218345 /nfs/dbraw/zinc/21/83/45/725218345.db2.gz ZYFDPLLJABDUKM-IRXDYDNUSA-N 0 3 350.802 3.259 20 5 FGBDHN O=[N+]([O-])c1cc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1Cl ZINC000811518295 725372176 /nfs/dbraw/zinc/37/21/76/725372176.db2.gz JAYWRHWSZAWHDS-JKSUJKDBSA-N 0 3 354.834 3.048 20 5 FGBDHN CC(COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[N+](=O)[O-] ZINC000813101541 726838843 /nfs/dbraw/zinc/83/88/43/726838843.db2.gz DAEZCEATEVLRTD-HTQZYQBOSA-N 0 3 366.595 3.078 20 5 FGBDHN CC(COC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813108400 726839867 /nfs/dbraw/zinc/83/98/67/726839867.db2.gz XXDJMDFFFWTTTH-SECBINFHSA-N 0 3 357.794 3.082 20 5 FGBDHN Cc1cc(SCC(=O)OCC(C)[N+](=O)[O-])c(C)cc1Br ZINC000813113735 726840369 /nfs/dbraw/zinc/84/03/69/726840369.db2.gz IJWNBGRQHIKUSR-JTQLQIEISA-N 0 3 362.245 3.366 20 5 FGBDHN CCCOc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813111379 726840518 /nfs/dbraw/zinc/84/05/18/726840518.db2.gz SHHQHCUZRKAPJV-NSHDSACASA-N 0 3 350.396 3.421 20 5 FGBDHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814833271 727004941 /nfs/dbraw/zinc/00/49/41/727004941.db2.gz BPIKZVXYCIIQTG-VXGBXAGGSA-N 0 3 359.348 3.197 20 5 FGBDHN CC(COC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000842364214 730490298 /nfs/dbraw/zinc/49/02/98/730490298.db2.gz UHRAOWINPUATTH-RYUDHWBXSA-N 0 3 352.387 3.094 20 5 FGBDHN COc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nc1Cl ZINC000845881408 730905768 /nfs/dbraw/zinc/90/57/68/730905768.db2.gz ZOLLMJXSXYQTML-LKFCYVNXSA-N 0 3 368.748 3.446 20 5 FGBDHN CCC1(N2CCOCC2)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000860027865 732436585 /nfs/dbraw/zinc/43/65/85/732436585.db2.gz JENDAAFQYZENPK-UHFFFAOYSA-N 0 3 367.877 3.325 20 5 FGBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827070 735935369 /nfs/dbraw/zinc/93/53/69/735935369.db2.gz BPCKWHJIXZBXCZ-QWHCGFSZSA-N 0 3 358.225 3.210 20 5 FGBDHN CCOC(CCNCc1cc(Br)c([N+](=O)[O-])s1)OCC ZINC000877467900 736222900 /nfs/dbraw/zinc/22/29/00/736222900.db2.gz SVENSIQEAMFPJW-UHFFFAOYSA-N 0 3 367.265 3.298 20 5 FGBDHN O=C(CCN1CC[C@@H](c2nccs2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880319523 737154340 /nfs/dbraw/zinc/15/43/40/737154340.db2.gz HXCHROPOSSBQIM-LLVKDONJSA-N 0 3 364.402 3.009 20 5 FGBDHN CCOC(=O)c1csc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000893942032 742216857 /nfs/dbraw/zinc/21/68/57/742216857.db2.gz YRXUUQZMJYKAIV-UHFFFAOYSA-N 0 3 369.830 3.214 20 5 FGBDHN Cc1cc(N2CCC[C@H](NCc3ccc(Cl)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000894059091 742232978 /nfs/dbraw/zinc/23/29/78/742232978.db2.gz STZNSOLJWZPHIK-HNNXBMFYSA-N 0 3 363.849 3.049 20 5 FGBDHN CC(C)(C)[C@@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640828 743142447 /nfs/dbraw/zinc/14/24/47/743142447.db2.gz CHKYGZTVEHQUEE-ZDUSSCGKSA-N 0 3 368.235 3.043 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579575876 505578409 /nfs/dbraw/zinc/57/84/09/505578409.db2.gz XMRNKINYEIYBBW-ZDUSSCGKSA-N 0 3 371.890 3.331 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cn2cncn2)cc1 ZINC000580011558 505661176 /nfs/dbraw/zinc/66/11/76/505661176.db2.gz KKXFYKFFOBBAGO-CXUHLZMHSA-N 0 3 363.421 3.428 20 5 FGBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000568383061 505680661 /nfs/dbraw/zinc/68/06/61/505680661.db2.gz ZJFDNCHWNNVVGU-OALUTQOASA-N 0 3 374.462 3.152 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048314518 493814980 /nfs/dbraw/zinc/81/49/80/493814980.db2.gz ZGVYOHSZAZPFFP-UHFFFAOYSA-N 0 3 352.394 3.068 20 5 FGBDHN C[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000029843441 493860960 /nfs/dbraw/zinc/86/09/60/493860960.db2.gz CZPLRRJBBVCHFF-CQSZACIVSA-N 0 3 353.422 3.494 20 5 FGBDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386863 493880765 /nfs/dbraw/zinc/88/07/65/493880765.db2.gz LCLJPPFUJLHXHH-YOEHRIQHSA-N 0 3 353.422 3.380 20 5 FGBDHN CCN1CCN([C@H](C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000059389290 493905420 /nfs/dbraw/zinc/90/54/20/493905420.db2.gz HUUQYURRJYRFLQ-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050579629 493921923 /nfs/dbraw/zinc/92/19/23/493921923.db2.gz KJXOSEVYTNSFST-CYBMUJFWSA-N 0 3 374.466 3.180 20 5 FGBDHN Cc1ccc(C(=O)NC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000051098214 493949146 /nfs/dbraw/zinc/94/91/46/493949146.db2.gz ANMHRMQCTDIFGD-UHFFFAOYSA-N 0 3 373.478 3.402 20 5 FGBDHN CN1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000061031760 493963499 /nfs/dbraw/zinc/96/34/99/493963499.db2.gz UUAAGAZPYCPVAM-UHFFFAOYSA-N 0 3 354.410 3.162 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062229224 494007159 /nfs/dbraw/zinc/00/71/59/494007159.db2.gz ZKDKQNOGGYKDKP-IBGZPJMESA-N 0 3 353.422 3.379 20 5 FGBDHN CSc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730071 494009178 /nfs/dbraw/zinc/00/91/78/494009178.db2.gz JRUQYGBHYMNLSK-STQMWFEESA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000069833333 494020513 /nfs/dbraw/zinc/02/05/13/494020513.db2.gz HOEQPDLXNYEZDT-IAGOWNOFSA-N 0 3 369.465 3.494 20 5 FGBDHN O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000052564105 494040747 /nfs/dbraw/zinc/04/07/47/494040747.db2.gz OAMCAYDMFVYXLC-UHFFFAOYSA-N 0 3 371.412 3.171 20 5 FGBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000084249950 494059302 /nfs/dbraw/zinc/05/93/02/494059302.db2.gz CEUXKNCFODYRED-UHFFFAOYSA-N 0 3 361.467 3.423 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000041904674 494186290 /nfs/dbraw/zinc/18/62/90/494186290.db2.gz WTLZZBSIGPBYDR-SFHVURJKSA-N 0 3 356.426 3.111 20 5 FGBDHN CN(C)CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000577319170 505705061 /nfs/dbraw/zinc/70/50/61/505705061.db2.gz FRKAUPDYQNQDOF-UHFFFAOYSA-N 0 3 369.412 3.138 20 5 FGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087271495 494188986 /nfs/dbraw/zinc/18/89/86/494188986.db2.gz TXKWEXXIYXVJBN-SFHVURJKSA-N 0 3 353.422 3.047 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000054463601 494238786 /nfs/dbraw/zinc/23/87/86/494238786.db2.gz IVFKNMIQMFYQFQ-HNNXBMFYSA-N 0 3 373.478 3.219 20 5 FGBDHN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072761184 494246727 /nfs/dbraw/zinc/24/67/27/494246727.db2.gz OFABTKKVCPOWDS-GOSISDBHSA-N 0 3 355.438 3.455 20 5 FGBDHN CCN1CCN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000072795090 494251680 /nfs/dbraw/zinc/25/16/80/494251680.db2.gz RCANPRXJEJZMMG-UHFFFAOYSA-N 0 3 368.437 3.297 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065938280 494259091 /nfs/dbraw/zinc/25/90/91/494259091.db2.gz NTZBYZSFUHCPOW-UHFFFAOYSA-N 0 3 369.393 3.139 20 5 FGBDHN Cc1c(NC(=O)CCN2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000072836493 494261206 /nfs/dbraw/zinc/26/12/06/494261206.db2.gz SMIWJPWIBPONGL-MRXNPFEDSA-N 0 3 351.472 3.305 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000089580821 494325935 /nfs/dbraw/zinc/32/59/35/494325935.db2.gz QAHKKWAHELOOMQ-HNNXBMFYSA-N 0 3 369.421 3.451 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCN(C2CCCC2)CC1 ZINC000055387554 494336093 /nfs/dbraw/zinc/33/60/93/494336093.db2.gz WFWGPRXGSBMWFC-UHFFFAOYSA-N 0 3 354.248 3.422 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000016235330 494381591 /nfs/dbraw/zinc/38/15/91/494381591.db2.gz ODEPDJFZRAWQSY-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000045776275 494459495 /nfs/dbraw/zinc/45/94/95/494459495.db2.gz SOABFXXSHKKXCN-SFHVURJKSA-N 0 3 369.421 3.170 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000067052152 494463450 /nfs/dbraw/zinc/46/34/50/494463450.db2.gz RCYDOJHTAMDXTG-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000046379952 494522353 /nfs/dbraw/zinc/52/23/53/494522353.db2.gz BKFYHRYDQXHGNV-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN CC(=O)c1cc(NCCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000571409975 505727441 /nfs/dbraw/zinc/72/74/41/505727441.db2.gz UNLXRFVZXDGAGW-UHFFFAOYSA-N 0 3 371.437 3.392 20 5 FGBDHN Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000023737381 494578349 /nfs/dbraw/zinc/57/83/49/494578349.db2.gz RUZNHMUPMFJJKY-SFHVURJKSA-N 0 3 353.422 3.470 20 5 FGBDHN C[C@H]1CN(CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092587086 494676986 /nfs/dbraw/zinc/67/69/86/494676986.db2.gz CJUDJNVAPUVXDK-KEEVIKFDSA-N 0 3 373.497 3.429 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000116068189 494691857 /nfs/dbraw/zinc/69/18/57/494691857.db2.gz WCGVOXVLCLITRD-MRXNPFEDSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000080612553 494746113 /nfs/dbraw/zinc/74/61/13/494746113.db2.gz JDYSZHMTWMCAFB-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN CCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000068134970 494774952 /nfs/dbraw/zinc/77/49/52/494774952.db2.gz ZSZQKYCRFMYUIN-INIZCTEOSA-N 0 3 361.442 3.084 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(F)c1 ZINC000026223893 494810728 /nfs/dbraw/zinc/81/07/28/494810728.db2.gz ONZNFOYQXSSINQ-UHFFFAOYSA-N 0 3 361.373 3.203 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(n4cccn4)CC3)o2)c1 ZINC000109006493 494819810 /nfs/dbraw/zinc/81/98/10/494819810.db2.gz XKNKQQXGLSTYGD-UHFFFAOYSA-N 0 3 367.409 3.326 20 5 FGBDHN C[S@@](=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000116919724 494871365 /nfs/dbraw/zinc/87/13/65/494871365.db2.gz FPBVILJYIZFRNP-QHCPKHFHSA-N 0 3 356.831 3.366 20 5 FGBDHN C[S@@](=O)CCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000116920173 494871398 /nfs/dbraw/zinc/87/13/98/494871398.db2.gz YOWWFKAAASDBHW-VWLOTQADSA-N 0 3 366.414 3.384 20 5 FGBDHN Cc1c(CC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000122219333 494941941 /nfs/dbraw/zinc/94/19/41/494941941.db2.gz VRGAYKBUADWMSN-OAHLLOKOSA-N 0 3 355.438 3.082 20 5 FGBDHN CN(C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000117802613 494956925 /nfs/dbraw/zinc/95/69/25/494956925.db2.gz LOZUWXUZFSDASL-UHFFFAOYSA-N 0 3 353.850 3.124 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133541302 495025550 /nfs/dbraw/zinc/02/55/50/495025550.db2.gz LUYNBTVJKHLGBN-SJORKVTESA-N 0 3 369.421 3.468 20 5 FGBDHN CCOCc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000580423247 505756539 /nfs/dbraw/zinc/75/65/39/505756539.db2.gz KUCUPOTXACIAPY-UHFFFAOYSA-N 0 3 357.410 3.250 20 5 FGBDHN O=C1[C@H](N[C@H](c2ccccc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128101210 495044490 /nfs/dbraw/zinc/04/44/90/495044490.db2.gz UESIVNYTNAIBOL-RTBURBONSA-N 0 3 351.406 3.441 20 5 FGBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCc1ccco1 ZINC000102420984 495136490 /nfs/dbraw/zinc/13/64/90/495136490.db2.gz YRKHWHDEXCFYPZ-UHFFFAOYSA-N 0 3 371.418 3.322 20 5 FGBDHN C[C@@H](CCS(C)(=O)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000134592174 495172424 /nfs/dbraw/zinc/17/24/24/495172424.db2.gz GBLHGURREFBITF-LBPRGKRZSA-N 0 3 368.480 3.236 20 5 FGBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000124138252 495239914 /nfs/dbraw/zinc/23/99/14/495239914.db2.gz PRWVLPBDTAYKHT-INIZCTEOSA-N 0 3 373.409 3.291 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000129847103 495304148 /nfs/dbraw/zinc/30/41/48/495304148.db2.gz XPOVBHMFGQHDBO-GOSISDBHSA-N 0 3 352.394 3.109 20 5 FGBDHN Cc1c(NC(=O)CCN(Cc2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124875235 495358352 /nfs/dbraw/zinc/35/83/52/495358352.db2.gz AWQNYYYLSFYZGT-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccncc1)C1CC1 ZINC000124916718 495364092 /nfs/dbraw/zinc/36/40/92/495364092.db2.gz BYSMMBPHWPMOFJ-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN Cc1cc(C[C@@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000136751188 495399364 /nfs/dbraw/zinc/39/93/64/495399364.db2.gz RXPPPSHJCLMGBV-LLVKDONJSA-N 0 3 357.439 3.471 20 5 FGBDHN Cc1cc(C[C@@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000136751188 495399367 /nfs/dbraw/zinc/39/93/67/495399367.db2.gz RXPPPSHJCLMGBV-LLVKDONJSA-N 0 3 357.439 3.471 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000136995244 495416826 /nfs/dbraw/zinc/41/68/26/495416826.db2.gz XBYMLINICOSPBG-HNNXBMFYSA-N 0 3 363.483 3.407 20 5 FGBDHN Cc1cccnc1[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000120866549 495474014 /nfs/dbraw/zinc/47/40/14/495474014.db2.gz HDTGLPNOLUWFEE-SJLPKXTDSA-N 0 3 359.426 3.025 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN(C4CCCCC4)CC3)n2)cc1 ZINC000141879957 495511589 /nfs/dbraw/zinc/51/15/89/495511589.db2.gz XHUNWZGNDFKCNV-UHFFFAOYSA-N 0 3 371.441 3.095 20 5 FGBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115565859 495518327 /nfs/dbraw/zinc/51/83/27/495518327.db2.gz UVJAUCBLISEEFP-PQUAAJSLSA-N 0 3 374.485 3.118 20 5 FGBDHN CCOc1ccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000107630803 495529907 /nfs/dbraw/zinc/52/99/07/495529907.db2.gz PIIRXSGZKBANOK-INIZCTEOSA-N 0 3 361.442 3.084 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000176211582 495548408 /nfs/dbraw/zinc/54/84/08/495548408.db2.gz CVAWMXDRTCQCGP-UHFFFAOYSA-N 0 3 354.332 3.475 20 5 FGBDHN CCOc1cccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182405566 495551783 /nfs/dbraw/zinc/55/17/83/495551783.db2.gz XTASRUWPOHRTKS-GDBMZVCRSA-N 0 3 360.410 3.084 20 5 FGBDHN Cc1c([C@@H](C)NCCCS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000158663087 495560883 /nfs/dbraw/zinc/56/08/83/495560883.db2.gz WYOORUQALRVFOU-OAHLLOKOSA-N 0 3 362.451 3.418 20 5 FGBDHN Cc1c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000179474078 495606764 /nfs/dbraw/zinc/60/67/64/495606764.db2.gz QUGZIBKUDKTYNR-SJLPKXTDSA-N 0 3 354.410 3.470 20 5 FGBDHN CC(C)Oc1ccc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000179527646 495629265 /nfs/dbraw/zinc/62/92/65/495629265.db2.gz BRRDONUOPNUSHO-QAPCUYQASA-N 0 3 374.437 3.473 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N(C)C)cc1 ZINC000159237222 495689688 /nfs/dbraw/zinc/68/96/88/495689688.db2.gz RSZIUUDMPCUSSM-SFHVURJKSA-N 0 3 371.437 3.199 20 5 FGBDHN NC(=O)c1ccc(CN2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171091994 495720397 /nfs/dbraw/zinc/72/03/97/495720397.db2.gz KPSFEYWNTBJQDT-INIZCTEOSA-N 0 3 353.422 3.463 20 5 FGBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 ZINC000159865191 495827695 /nfs/dbraw/zinc/82/76/95/495827695.db2.gz COBJEYMPECSLKY-LPHOPBHVSA-N 0 3 355.438 3.272 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(C[C@@H]4CCOC4)CC3)o2)c1 ZINC000180095247 495855719 /nfs/dbraw/zinc/85/57/19/495855719.db2.gz JLGWUSPPUNPDEI-INIZCTEOSA-N 0 3 371.437 3.009 20 5 FGBDHN C[C@H](C(=O)NCCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183156898 495859780 /nfs/dbraw/zinc/85/97/80/495859780.db2.gz GBIASGXPAWVMPL-AWEZNQCLSA-N 0 3 359.401 3.086 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171543398 495920822 /nfs/dbraw/zinc/92/08/22/495920822.db2.gz KGZOFQHFFBOYNF-UHFFFAOYSA-N 0 3 360.439 3.415 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](COc2ccccc2F)c2ccccc2)n1 ZINC000180306194 495944222 /nfs/dbraw/zinc/94/42/22/495944222.db2.gz WIVHFSNYUAIWME-KRWDZBQOSA-N 0 3 370.384 3.340 20 5 FGBDHN CC1(C)CN(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000180462067 496005903 /nfs/dbraw/zinc/00/59/03/496005903.db2.gz HQQWLASKWIHNGT-HXUWFJFHSA-N 0 3 369.465 3.385 20 5 FGBDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000155605102 496010321 /nfs/dbraw/zinc/01/03/21/496010321.db2.gz RRDJAAISIIMDGB-OAHLLOKOSA-N 0 3 357.410 3.203 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCN(C)C)Cc1ccc(C)o1 ZINC000571805847 505817867 /nfs/dbraw/zinc/81/78/67/505817867.db2.gz HDMJNVDGQPYMIF-UHFFFAOYSA-N 0 3 361.442 3.459 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1N1CCN(C2CCCCC2)CC1 ZINC000152441952 496152536 /nfs/dbraw/zinc/15/25/36/496152536.db2.gz QHRRNKXOIMUTFU-UHFFFAOYSA-N 0 3 369.263 3.207 20 5 FGBDHN Cc1cccc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174925542 496167493 /nfs/dbraw/zinc/16/74/93/496167493.db2.gz KLVAAIFMKJHCJF-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN Cc1ccc([C@@H](C)NCCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000177811476 496205746 /nfs/dbraw/zinc/20/57/46/496205746.db2.gz ISYYKKGZGBCXOH-OAHLLOKOSA-N 0 3 362.451 3.418 20 5 FGBDHN CN(C)C1(CN(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000187019447 496254368 /nfs/dbraw/zinc/25/43/68/496254368.db2.gz PFLIETKJXRRVQL-UHFFFAOYSA-N 0 3 371.890 3.283 20 5 FGBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000172497135 496316657 /nfs/dbraw/zinc/31/66/57/496316657.db2.gz VRQHTRXHVRTYPC-UHFFFAOYSA-N 0 3 374.485 3.187 20 5 FGBDHN COc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187221861 496346423 /nfs/dbraw/zinc/34/64/23/496346423.db2.gz DLLHPYUFFNEOGH-UGSOOPFHSA-N 0 3 357.410 3.025 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000184360935 496351617 /nfs/dbraw/zinc/35/16/17/496351617.db2.gz RFMKODLIRAVUTK-MRXNPFEDSA-N 0 3 368.441 3.206 20 5 FGBDHN CN1CCN(CCCSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000181322769 496353298 /nfs/dbraw/zinc/35/32/98/496353298.db2.gz RFURVNCOASEJED-UHFFFAOYSA-N 0 3 374.304 3.087 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000153111923 496357715 /nfs/dbraw/zinc/35/77/15/496357715.db2.gz GWSSTALZUPQAIL-DYVFJYSZSA-N 0 3 360.410 3.386 20 5 FGBDHN COc1ccccc1C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000178207128 496370462 /nfs/dbraw/zinc/37/04/62/496370462.db2.gz YSZGEQBNNFXLIP-QGZVFWFLSA-N 0 3 371.437 3.399 20 5 FGBDHN Cn1cc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000184597996 496458061 /nfs/dbraw/zinc/45/80/61/496458061.db2.gz AWXBCAZJFFOECT-LJQANCHMSA-N 0 3 354.385 3.389 20 5 FGBDHN C[C@H](C(=O)NCc1ccccc1CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184762977 496523147 /nfs/dbraw/zinc/52/31/47/496523147.db2.gz XKXOCLODIDKHGW-ZDUSSCGKSA-N 0 3 359.401 3.215 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000163802293 496559626 /nfs/dbraw/zinc/55/96/26/496559626.db2.gz CWEORHSWFDSRKQ-HNNXBMFYSA-N 0 3 371.437 3.221 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175864574 496578646 /nfs/dbraw/zinc/57/86/46/496578646.db2.gz RECUPCAQZXMANR-HOCLYGCPSA-N 0 3 364.471 3.221 20 5 FGBDHN CSc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188169907 496708034 /nfs/dbraw/zinc/70/80/34/496708034.db2.gz PRIMKVVBZXRPAM-UHFFFAOYSA-N 0 3 363.483 3.407 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000191396048 496749053 /nfs/dbraw/zinc/74/90/53/496749053.db2.gz KGOSJOYMEGSFJS-UHFFFAOYSA-N 0 3 371.441 3.202 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263901181 496759353 /nfs/dbraw/zinc/75/93/53/496759353.db2.gz JHHMZGASTKZZBW-UHFFFAOYSA-N 0 3 354.410 3.353 20 5 FGBDHN COc1ccccc1N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580903916 505865085 /nfs/dbraw/zinc/86/50/85/505865085.db2.gz ZFTDZCYBRIDLBR-WMLDXEAASA-N 0 3 353.422 3.459 20 5 FGBDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497796 496784839 /nfs/dbraw/zinc/78/48/39/496784839.db2.gz KJWFTSJVJNXNCT-HNNXBMFYSA-N 0 3 373.457 3.093 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273391645 496792090 /nfs/dbraw/zinc/79/20/90/496792090.db2.gz DOKIZGYTZVKGFW-LSDHHAIUSA-N 0 3 362.474 3.336 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000191956621 496943255 /nfs/dbraw/zinc/94/32/55/496943255.db2.gz PRYSIGBRJKSMQK-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1CN1CCCC1 ZINC000269490718 496957901 /nfs/dbraw/zinc/95/79/01/496957901.db2.gz OHGGBFSZFAFJSP-CQSZACIVSA-N 0 3 371.359 3.314 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248136286 496960136 /nfs/dbraw/zinc/96/01/36/496960136.db2.gz XOIPCZFMJDQNAP-PXNSSMCTSA-N 0 3 353.422 3.007 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192141569 497010174 /nfs/dbraw/zinc/01/01/74/497010174.db2.gz BAZKEKDVIVHYDV-OKZBNKHCSA-N 0 3 364.348 3.026 20 5 FGBDHN COc1ccc(OCCN[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192363081 497089952 /nfs/dbraw/zinc/08/99/52/497089952.db2.gz DUNFZBRVQHXYKZ-INIZCTEOSA-N 0 3 358.394 3.355 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000192487900 497129569 /nfs/dbraw/zinc/12/95/69/497129569.db2.gz AQFDGFPIRRZYFG-DOTOQJQBSA-N 0 3 353.422 3.154 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(CN2CCSCC2)c1 ZINC000192563377 497151621 /nfs/dbraw/zinc/15/16/21/497151621.db2.gz XRHBTXCVJRVODJ-UHFFFAOYSA-N 0 3 361.471 3.412 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)CCC2 ZINC000278762649 497213114 /nfs/dbraw/zinc/21/31/14/497213114.db2.gz OSWHMSJFCOLKRG-AHRSYUTCSA-N 0 3 356.422 3.046 20 5 FGBDHN O=C1c2ccccc2CCN1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193336533 497354078 /nfs/dbraw/zinc/35/40/78/497354078.db2.gz IGQHAYOUIRDQMA-FQEVSTJZSA-N 0 3 365.433 3.260 20 5 FGBDHN O=C1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1c1c(F)cccc1F ZINC000255313551 497364112 /nfs/dbraw/zinc/36/41/12/497364112.db2.gz GPCKIDHJCSDOSR-KXQLTZBTSA-N 0 3 373.359 3.281 20 5 FGBDHN CCOC(=O)c1csc(CCNC/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000190338017 497441781 /nfs/dbraw/zinc/44/17/81/497441781.db2.gz FWPCTEIODMGCAF-FNORWQNLSA-N 0 3 361.423 3.074 20 5 FGBDHN N[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCOCC1 ZINC000261906840 497474021 /nfs/dbraw/zinc/47/40/21/497474021.db2.gz XCJJQCPWNSPXOB-GOSISDBHSA-N 0 3 371.393 3.080 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000193772812 497476704 /nfs/dbraw/zinc/47/67/04/497476704.db2.gz QJSZUPYGRMGLCK-KRWDZBQOSA-N 0 3 353.422 3.155 20 5 FGBDHN Cc1ccc([C@@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000267216508 497504051 /nfs/dbraw/zinc/50/40/51/497504051.db2.gz CIGIARKWQLSHCB-CYBMUJFWSA-N 0 3 363.439 3.126 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000194268798 497619621 /nfs/dbraw/zinc/61/96/21/497619621.db2.gz DJKRXNIOVPTFGB-ZDUSSCGKSA-N 0 3 374.372 3.258 20 5 FGBDHN CCCc1[nH]nc(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000262975940 497671011 /nfs/dbraw/zinc/67/10/11/497671011.db2.gz MILMQNJHRRXZBV-UHFFFAOYSA-N 0 3 371.319 3.000 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000194468795 497677623 /nfs/dbraw/zinc/67/76/23/497677623.db2.gz TXDYGHPOVRWLKE-LJQANCHMSA-N 0 3 370.453 3.348 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000194834352 497786165 /nfs/dbraw/zinc/78/61/65/497786165.db2.gz QUAFFKJIOPDAOR-NVXWUHKLSA-N 0 3 353.422 3.296 20 5 FGBDHN CCOCCCN1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246798654 497811731 /nfs/dbraw/zinc/81/17/31/497811731.db2.gz NAQJQMKRUNRPSS-YOEHRIQHSA-N 0 3 363.458 3.346 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000575216008 505944456 /nfs/dbraw/zinc/94/44/56/505944456.db2.gz JJSIYUJSQOYDNF-UHFFFAOYSA-N 0 3 363.458 3.332 20 5 FGBDHN CC[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000296265501 497976499 /nfs/dbraw/zinc/97/64/99/497976499.db2.gz DLLOUDDFWCXPSA-LESCRADOSA-N 0 3 353.422 3.327 20 5 FGBDHN COc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000296358071 498010739 /nfs/dbraw/zinc/01/07/39/498010739.db2.gz RZPDZVCGGINKOW-COLVAYQJSA-N 0 3 372.368 3.108 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072489 498011184 /nfs/dbraw/zinc/01/11/84/498011184.db2.gz ZZTHIJQKDIOVPB-RHSMWYFYSA-N 0 3 368.437 3.069 20 5 FGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1F)CCNC2 ZINC000285330408 498054537 /nfs/dbraw/zinc/05/45/37/498054537.db2.gz UKMNUXFJAPQXAX-UHFFFAOYSA-N 0 3 372.400 3.210 20 5 FGBDHN Cc1ccc([C@H](C)N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000296469748 498055565 /nfs/dbraw/zinc/05/55/65/498055565.db2.gz NQXZKXCTOKWCMJ-YQQAZPJKSA-N 0 3 353.422 3.245 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](c1ccccc1)N1CCOCC1 ZINC000569624450 505978782 /nfs/dbraw/zinc/97/87/82/505978782.db2.gz ZJOCPDQKTVMGPG-TZIWHRDSSA-N 0 3 367.449 3.245 20 5 FGBDHN Cc1ccn(C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000365005044 498250980 /nfs/dbraw/zinc/25/09/80/498250980.db2.gz VWEXLMZFUBVQIH-UHFFFAOYSA-N 0 3 371.441 3.074 20 5 FGBDHN C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000301960172 498345598 /nfs/dbraw/zinc/34/55/98/498345598.db2.gz MFNRXHVIQDYLDE-GOEBONIOSA-N 0 3 366.425 3.103 20 5 FGBDHN Cc1cc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301985454 498356810 /nfs/dbraw/zinc/35/68/10/498356810.db2.gz SXZFOFRLJNHMQX-PKOBYXMFSA-N 0 3 355.438 3.198 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293482205 498399034 /nfs/dbraw/zinc/39/90/34/498399034.db2.gz MKVURXRBIKLIFM-NSHDSACASA-N 0 3 359.348 3.075 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(c3nccs3)CC2)c1 ZINC000282418255 498503065 /nfs/dbraw/zinc/50/30/65/498503065.db2.gz ZNRYLTZGEJTFTG-UHFFFAOYSA-N 0 3 352.847 3.463 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000302795375 498578862 /nfs/dbraw/zinc/57/88/62/498578862.db2.gz OPIYJPVQCATVSH-SFHVURJKSA-N 0 3 356.426 3.001 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000363010857 498602622 /nfs/dbraw/zinc/60/26/22/498602622.db2.gz VKTJQCROFKVFLZ-GOEBONIOSA-N 0 3 357.435 3.413 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)c2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC000572828657 506062413 /nfs/dbraw/zinc/06/24/13/506062413.db2.gz WJXFXETUGOJEHP-UHFFFAOYSA-N 0 3 371.466 3.476 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000298019316 498639505 /nfs/dbraw/zinc/63/95/05/498639505.db2.gz RFYJABDCDOHGPE-DNVCBOLYSA-N 0 3 360.458 3.092 20 5 FGBDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332325539 498649158 /nfs/dbraw/zinc/64/91/58/498649158.db2.gz JCUBZBULDQINEC-BFUOFWGJSA-N 0 3 364.442 3.128 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282904998 498703762 /nfs/dbraw/zinc/70/37/62/498703762.db2.gz FUBHDFXJHSHNTN-UHFFFAOYSA-N 0 3 356.426 3.363 20 5 FGBDHN C[C@H](NCCC(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000298471522 498782406 /nfs/dbraw/zinc/78/24/06/498782406.db2.gz SHXBZTZESXWIIY-ZDUSSCGKSA-N 0 3 359.451 3.282 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000298590745 498823073 /nfs/dbraw/zinc/82/30/73/498823073.db2.gz KHDHUUZDACIZTP-ZDUSSCGKSA-N 0 3 373.409 3.331 20 5 FGBDHN O=C(CCN[C@@H](CCCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000298881264 498905630 /nfs/dbraw/zinc/90/56/30/498905630.db2.gz KEJHPEMYJQRJIM-INIZCTEOSA-N 0 3 357.410 3.027 20 5 FGBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295329431 498982042 /nfs/dbraw/zinc/98/20/42/498982042.db2.gz MGKRURLOAIMENE-LBPRGKRZSA-N 0 3 359.348 3.216 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000363865167 499031241 /nfs/dbraw/zinc/03/12/41/499031241.db2.gz GEACQAKLAAXIKY-UHFFFAOYSA-N 0 3 369.421 3.003 20 5 FGBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299365859 499038552 /nfs/dbraw/zinc/03/85/52/499038552.db2.gz RLDCPJKPBKSNPY-GOSISDBHSA-N 0 3 357.385 3.301 20 5 FGBDHN C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269721 506129254 /nfs/dbraw/zinc/12/92/54/506129254.db2.gz FAMADWPCFMVTET-OXQOHEQNSA-N 0 3 367.449 3.479 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295706305 499084868 /nfs/dbraw/zinc/08/48/68/499084868.db2.gz FTHADMNHSLIHHM-OAHLLOKOSA-N 0 3 372.400 3.337 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000291960149 499111248 /nfs/dbraw/zinc/11/12/48/499111248.db2.gz WKXJWQQKKQHQTC-NVXWUHKLSA-N 0 3 353.422 3.296 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1cccnc1)C1CCCCC1 ZINC000367149463 499154506 /nfs/dbraw/zinc/15/45/06/499154506.db2.gz VHLXGIMBRAZVFJ-LJQANCHMSA-N 0 3 356.426 3.063 20 5 FGBDHN O=C1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C2CC2)N1 ZINC000370285582 499205673 /nfs/dbraw/zinc/20/56/73/499205673.db2.gz OEBDWVZEGJJBDL-DNVCBOLYSA-N 0 3 355.394 3.002 20 5 FGBDHN COc1cc(C[NH2+]C2CCC3(CCOCC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000371184284 499296481 /nfs/dbraw/zinc/29/64/81/499296481.db2.gz IQDOIWAKGGQCJJ-UHFFFAOYSA-N 0 3 350.415 3.138 20 5 FGBDHN O=C1CC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C2CC2)N1 ZINC000368499155 499302142 /nfs/dbraw/zinc/30/21/42/499302142.db2.gz NRGSBNMPBWCGBC-APWZRJJASA-N 0 3 355.394 3.002 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3ccccc3CO)CC2)c1 ZINC000369026958 499358580 /nfs/dbraw/zinc/35/85/80/499358580.db2.gz OWXYMFXMZSCDMD-FQEVSTJZSA-N 0 3 356.422 3.000 20 5 FGBDHN CN1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369544223 499415363 /nfs/dbraw/zinc/41/53/63/499415363.db2.gz RWLIMZFTQOLZOI-WMLDXEAASA-N 0 3 374.466 3.149 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567206 499419257 /nfs/dbraw/zinc/41/92/57/499419257.db2.gz HDRRASDBVUGTKE-PBHICJAKSA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369569396 499419792 /nfs/dbraw/zinc/41/97/92/499419792.db2.gz NRXGVFLFUSPCGX-IINYFYTJSA-N 0 3 351.453 3.141 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000373180732 499455862 /nfs/dbraw/zinc/45/58/62/499455862.db2.gz PZKMLBJDOMCIPH-AWEZNQCLSA-N 0 3 361.785 3.307 20 5 FGBDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397999708 499565422 /nfs/dbraw/zinc/56/54/22/499565422.db2.gz VGHSERQYQDXGDA-SFHVURJKSA-N 0 3 370.453 3.262 20 5 FGBDHN Cn1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2cccs2)n1 ZINC000376034981 499577797 /nfs/dbraw/zinc/57/77/97/499577797.db2.gz OVPCZESSNSBLNO-UHFFFAOYSA-N 0 3 372.454 3.090 20 5 FGBDHN CN1CCC2(CCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000376636090 499624986 /nfs/dbraw/zinc/62/49/86/499624986.db2.gz DJTOLAIPUYGXKT-UHFFFAOYSA-N 0 3 352.822 3.340 20 5 FGBDHN CN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000410615187 499670784 /nfs/dbraw/zinc/67/07/84/499670784.db2.gz ONSBSOXKLSNPTA-ZIAGYGMSSA-N 0 3 373.375 3.466 20 5 FGBDHN CC(C)(CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411089537 499697142 /nfs/dbraw/zinc/69/71/42/499697142.db2.gz WRRYZXRHAGBRNN-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411148430 499703097 /nfs/dbraw/zinc/70/30/97/499703097.db2.gz LRXHJRQKILVUCS-UHFFFAOYSA-N 0 3 357.410 3.072 20 5 FGBDHN C[C@H]1C[C@@H](c2cccnc2)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532681 499751915 /nfs/dbraw/zinc/75/19/15/499751915.db2.gz ZMIRQKYDGNUNHF-KSSFIOAISA-N 0 3 354.410 3.402 20 5 FGBDHN CS(=O)(=O)c1ccccc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414228565 499769599 /nfs/dbraw/zinc/76/95/99/499769599.db2.gz DNBHGOCKRKQDSF-QGZVFWFLSA-N 0 3 374.462 3.109 20 5 FGBDHN CCC[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000414325470 499777827 /nfs/dbraw/zinc/77/78/27/499777827.db2.gz KEQSKINPGLILJL-MRXNPFEDSA-N 0 3 354.472 3.241 20 5 FGBDHN Cn1cc(CNCC(C)(C)OCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414518520 499801846 /nfs/dbraw/zinc/80/18/46/499801846.db2.gz UVDXEQNGBVHDNY-UHFFFAOYSA-N 0 3 358.442 3.290 20 5 FGBDHN COc1cc(CN[C@H](C)C2(OC)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000412017769 499813110 /nfs/dbraw/zinc/81/31/10/499813110.db2.gz DCBVZJQWFNGKEQ-SNVBAGLBSA-N 0 3 360.357 3.252 20 5 FGBDHN O=[N+]([O-])c1ccc2ccnc(N3CC[C@H](OCCN4CCCCC4)C3)c2c1 ZINC000413203132 499926351 /nfs/dbraw/zinc/92/63/51/499926351.db2.gz NKTZRSZVPFETRU-SFHVURJKSA-N 0 3 370.453 3.224 20 5 FGBDHN O=[N+]([O-])c1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000413277579 499936196 /nfs/dbraw/zinc/93/61/96/499936196.db2.gz ZTDWGLPLVHJGEB-UHFFFAOYSA-N 0 3 362.327 3.346 20 5 FGBDHN CN(C)[C@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000416239862 499991920 /nfs/dbraw/zinc/99/19/20/499991920.db2.gz IMDZXKSBZNIBJB-LJQANCHMSA-N 0 3 355.438 3.289 20 5 FGBDHN COc1ccc(NC(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429243316 500031907 /nfs/dbraw/zinc/03/19/07/500031907.db2.gz DQMGAIDBGFBMKM-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710405 500125778 /nfs/dbraw/zinc/12/57/78/500125778.db2.gz KKZTWRATDONEKG-AWEZNQCLSA-N 0 3 351.472 3.262 20 5 FGBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429805449 500147994 /nfs/dbraw/zinc/14/79/94/500147994.db2.gz INTFLVRTNAWKSX-HNNXBMFYSA-N 0 3 361.486 3.499 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000421894585 500171154 /nfs/dbraw/zinc/17/11/54/500171154.db2.gz UPXQXMMSTZPQNN-SFHVURJKSA-N 0 3 371.437 3.253 20 5 FGBDHN COC(=O)[C@]1(c2ccccc2)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430085000 500190371 /nfs/dbraw/zinc/19/03/71/500190371.db2.gz LMXVEUDGZDXNGL-XYBJCVHJSA-N 0 3 366.417 3.425 20 5 FGBDHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430751418 500279388 /nfs/dbraw/zinc/27/93/88/500279388.db2.gz WCCMOEHIKFFKPX-CKEIUWERSA-N 0 3 354.472 3.173 20 5 FGBDHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430751419 500279419 /nfs/dbraw/zinc/27/94/19/500279419.db2.gz WCCMOEHIKFFKPX-CPUCHLNUSA-N 0 3 354.472 3.173 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OC2CCC2)CC1 ZINC000419308706 500351534 /nfs/dbraw/zinc/35/15/34/500351534.db2.gz VIZCSCUQTSVEIY-UHFFFAOYSA-N 0 3 361.442 3.265 20 5 FGBDHN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H](N)c1ccccc1 ZINC000423730880 500397706 /nfs/dbraw/zinc/39/77/06/500397706.db2.gz XBRHMQSCNYKOLI-LIRRHRJNSA-N 0 3 353.422 3.422 20 5 FGBDHN CCCN1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427600365 500410076 /nfs/dbraw/zinc/41/00/76/500410076.db2.gz TUTHELGKEDPVSZ-AWEZNQCLSA-N 0 3 359.348 3.104 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000431800151 500426497 /nfs/dbraw/zinc/42/64/97/500426497.db2.gz KPAXDSXWBJOVSZ-OAHLLOKOSA-N 0 3 362.474 3.250 20 5 FGBDHN COC1([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)CCOCC1 ZINC000421036356 500561438 /nfs/dbraw/zinc/56/14/38/500561438.db2.gz QEZJEFWOBLBOMC-CQSZACIVSA-N 0 3 352.431 3.056 20 5 FGBDHN O=C1CCC[C@@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000433199570 500646070 /nfs/dbraw/zinc/64/60/70/500646070.db2.gz DGMFUZAJBFUCMK-HNNXBMFYSA-N 0 3 373.384 3.285 20 5 FGBDHN CN1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cccs1 ZINC000447688378 500646285 /nfs/dbraw/zinc/64/62/85/500646285.db2.gz XQJAVBUISDLZTN-YVEFUNNKSA-N 0 3 371.466 3.450 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000433313158 500670146 /nfs/dbraw/zinc/67/01/46/500670146.db2.gz UOSVAUOJKHFMEX-LJQANCHMSA-N 0 3 356.422 3.467 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000448193800 500731315 /nfs/dbraw/zinc/73/13/15/500731315.db2.gz OLJKYNHSGOZJRG-WCQYABFASA-N 0 3 371.359 3.170 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000433864413 500757243 /nfs/dbraw/zinc/75/72/43/500757243.db2.gz JUTKYUMVPCSVTN-HNNXBMFYSA-N 0 3 373.457 3.036 20 5 FGBDHN C[C@H](CCN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444019642 500793419 /nfs/dbraw/zinc/79/34/19/500793419.db2.gz CXBLSRQCSFLXOR-LLVKDONJSA-N 0 3 373.403 3.030 20 5 FGBDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000435055902 500927967 /nfs/dbraw/zinc/92/79/67/500927967.db2.gz JVZHFVIFKZIPDF-HNNXBMFYSA-N 0 3 359.426 3.007 20 5 FGBDHN COC(=O)c1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449216750 500949851 /nfs/dbraw/zinc/94/98/51/500949851.db2.gz UZYYVEXMSFHIHR-CYBMUJFWSA-N 0 3 358.394 3.111 20 5 FGBDHN COC[C@@](C)(O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449383961 500990740 /nfs/dbraw/zinc/99/07/40/500990740.db2.gz LDHGRHOCYLHYCC-FQEVSTJZSA-N 0 3 373.453 3.240 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](c1nnc[nH]1)c1ccccc1 ZINC000449669145 501055373 /nfs/dbraw/zinc/05/53/73/501055373.db2.gz MFJVPYHKPYWEJR-KRWDZBQOSA-N 0 3 367.409 3.033 20 5 FGBDHN Cc1c(NC(=O)CCN2CC(C)(C)O[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000440971410 501069822 /nfs/dbraw/zinc/06/98/22/501069822.db2.gz ZHMFGPKDGCMESQ-IAGOWNOFSA-N 0 3 361.442 3.264 20 5 FGBDHN O=[N+]([O-])c1cccc(Br)c1N1CCN(c2ccncc2)CC1 ZINC000596060275 506233074 /nfs/dbraw/zinc/23/30/74/506233074.db2.gz DQIZBDOFASEZCI-UHFFFAOYSA-N 0 3 363.215 3.079 20 5 FGBDHN Cc1nc(N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347265 501096850 /nfs/dbraw/zinc/09/68/50/501096850.db2.gz OUMNJKOWAUVAED-RHSMWYFYSA-N 0 3 355.442 3.183 20 5 FGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450361872 501100450 /nfs/dbraw/zinc/10/04/50/501100450.db2.gz GSYIQQUVEXBHNW-QGZVFWFLSA-N 0 3 355.442 3.042 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000450967635 501235691 /nfs/dbraw/zinc/23/56/91/501235691.db2.gz JQRSFEYYFBHAIG-SJORKVTESA-N 0 3 361.442 3.169 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCC2 ZINC000450970601 501235893 /nfs/dbraw/zinc/23/58/93/501235893.db2.gz NUVGCWJUUARUAF-IAGOWNOFSA-N 0 3 361.442 3.169 20 5 FGBDHN Cc1c([C@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000453229135 501295124 /nfs/dbraw/zinc/29/51/24/501295124.db2.gz GEAZTILAHFGLMA-UONOGXRCSA-N 0 3 360.435 3.125 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000451550413 501320991 /nfs/dbraw/zinc/32/09/91/501320991.db2.gz ROGDOCPHGITIOX-WMZOPIPTSA-N 0 3 374.412 3.353 20 5 FGBDHN COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000453600825 501358045 /nfs/dbraw/zinc/35/80/45/501358045.db2.gz QZBNOEHSZUTPIY-LLVKDONJSA-N 0 3 364.373 3.178 20 5 FGBDHN COCC1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000602674402 506256406 /nfs/dbraw/zinc/25/64/06/506256406.db2.gz WYGOTIYAMZWXLL-UHFFFAOYSA-N 0 3 362.348 3.146 20 5 FGBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454771102 501626451 /nfs/dbraw/zinc/62/64/51/501626451.db2.gz UTMXIKOKHPMBQX-HOTGVXAUSA-N 0 3 370.453 3.476 20 5 FGBDHN C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CCN(C)CC1 ZINC000454777490 501627857 /nfs/dbraw/zinc/62/78/57/501627857.db2.gz QVTHMSGFTYIACT-QAPCUYQASA-N 0 3 372.469 3.134 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000457061421 501643098 /nfs/dbraw/zinc/64/30/98/501643098.db2.gz UDWVHBPGSIJESH-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087123 501648205 /nfs/dbraw/zinc/64/82/05/501648205.db2.gz PZBMKQAZCZVBCA-DZGCQCFKSA-N 0 3 351.472 3.017 20 5 FGBDHN CCN1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000459485276 501661868 /nfs/dbraw/zinc/66/18/68/501661868.db2.gz TZFBHANFMAOYKY-GASCZTMLSA-N 0 3 358.442 3.207 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3COC3)o2)c(Br)c1 ZINC000599010718 506276612 /nfs/dbraw/zinc/27/66/12/506276612.db2.gz CAOALPJZDWKMJV-UHFFFAOYSA-N 0 3 367.199 3.353 20 5 FGBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596151236 506281958 /nfs/dbraw/zinc/28/19/58/506281958.db2.gz BWZPZINWAYJDLU-PBHICJAKSA-N 0 3 368.437 3.159 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccc(OCCN3CCCC3)cc2)n1 ZINC000481986128 501935959 /nfs/dbraw/zinc/93/59/59/501935959.db2.gz QWTRHIFGFXGYRH-UHFFFAOYSA-N 0 3 356.426 3.385 20 5 FGBDHN COC(=O)c1cc(N[C@@H]2CCN(Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000474772209 501947618 /nfs/dbraw/zinc/94/76/18/501947618.db2.gz DPQGIHBLGLYMJS-MRXNPFEDSA-N 0 3 369.421 3.376 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCCCn2cc(Br)cn2)c(F)c1 ZINC000475204296 502098312 /nfs/dbraw/zinc/09/83/12/502098312.db2.gz OXPCNUYYJMYQGR-UHFFFAOYSA-N 0 3 371.210 3.263 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccc(C)c(F)c1 ZINC000468619484 502127523 /nfs/dbraw/zinc/12/75/23/502127523.db2.gz GLYIADFWHAFVAT-UVTDQMKNSA-N 0 3 371.412 3.465 20 5 FGBDHN Cc1cccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000475319883 502133237 /nfs/dbraw/zinc/13/32/37/502133237.db2.gz JEHBHKZAZPIVBR-QGZVFWFLSA-N 0 3 353.422 3.250 20 5 FGBDHN CSc1cccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000486434496 502152355 /nfs/dbraw/zinc/15/23/55/502152355.db2.gz MOGXUKSFPQPRPF-LBPRGKRZSA-N 0 3 351.472 3.119 20 5 FGBDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000475677567 502252369 /nfs/dbraw/zinc/25/23/69/502252369.db2.gz GNDYFMVOJXJBSS-LJQANCHMSA-N 0 3 373.384 3.224 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599064478 506304475 /nfs/dbraw/zinc/30/44/75/506304475.db2.gz AZWNDBPCZWQCHI-TZMCWYRMSA-N 0 3 357.401 3.374 20 5 FGBDHN C[C@H](CN1CCCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000476220729 502418672 /nfs/dbraw/zinc/41/86/72/502418672.db2.gz NPDCWANMKZSZPR-CQSZACIVSA-N 0 3 365.449 3.392 20 5 FGBDHN COC(=O)c1c(Cl)c(N2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596230430 506321770 /nfs/dbraw/zinc/32/17/70/506321770.db2.gz AXIGQJUCXCPOSE-RYUDHWBXSA-N 0 3 367.833 3.098 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CNc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462877093 502609709 /nfs/dbraw/zinc/60/97/09/502609709.db2.gz MMDJANPGYULWGF-BQHGXPCASA-N 0 3 353.422 3.287 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137094 502674003 /nfs/dbraw/zinc/67/40/03/502674003.db2.gz REFRGVZVWVZEGO-UGSOOPFHSA-N 0 3 372.400 3.376 20 5 FGBDHN COc1ccc(CNC2CCN(c3nc(C)cs3)CC2)cc1[N+](=O)[O-] ZINC000463107117 502696374 /nfs/dbraw/zinc/69/63/74/502696374.db2.gz CJBAPBIRCNCKQK-UHFFFAOYSA-N 0 3 362.455 3.127 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CCN2CCOCC2)CC1 ZINC000470184768 502700506 /nfs/dbraw/zinc/70/05/06/502700506.db2.gz XBLBBQSNBJKXMH-SDXDJHTJSA-N 0 3 373.497 3.432 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cccc(C(N)=O)c1 ZINC000504893311 502819926 /nfs/dbraw/zinc/81/99/26/502819926.db2.gz DMJQXBWZLMQLEH-OAHLLOKOSA-N 0 3 359.451 3.354 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NC(C)(C)C ZINC000504911162 502822726 /nfs/dbraw/zinc/82/27/26/502822726.db2.gz BDUAPEBDISXTSM-STQMWFEESA-N 0 3 353.488 3.358 20 5 FGBDHN CCCN(CCN1CCCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000513152809 502864694 /nfs/dbraw/zinc/86/46/94/502864694.db2.gz GXABAVYZQAQIFD-UHFFFAOYSA-N 0 3 373.457 3.343 20 5 FGBDHN O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593018364 506339198 /nfs/dbraw/zinc/33/91/98/506339198.db2.gz LFLKHFKBQRGYAQ-QWHCGFSZSA-N 0 3 358.316 3.232 20 5 FGBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000505574425 502938454 /nfs/dbraw/zinc/93/84/54/502938454.db2.gz IWLWSIINGJQIRO-YJYMSZOUSA-N 0 3 359.401 3.084 20 5 FGBDHN Cc1cc(OCC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000505609132 502949163 /nfs/dbraw/zinc/94/91/63/502949163.db2.gz KGSWCELNNVHCDJ-MGPUTAFESA-N 0 3 371.437 3.090 20 5 FGBDHN CC(C)N(Cc1cccc(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513515230 502957411 /nfs/dbraw/zinc/95/74/11/502957411.db2.gz NDULEEZOLJBLJZ-SFHVURJKSA-N 0 3 362.401 3.384 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489451793 502961535 /nfs/dbraw/zinc/96/15/35/502961535.db2.gz SJZZWRMKYPGVSV-GRZALLJUSA-N 0 3 374.485 3.336 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000602917448 506350642 /nfs/dbraw/zinc/35/06/42/506350642.db2.gz BWOKRLGNRYGBTC-ZBFHGGJFSA-N 0 3 368.796 3.012 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036381 506350682 /nfs/dbraw/zinc/35/06/82/506350682.db2.gz DSVQJDOPIFGUOF-KBXCAEBGSA-N 0 3 371.412 3.228 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596308772 506351223 /nfs/dbraw/zinc/35/12/23/506351223.db2.gz UIZLLVOMOFYHRA-OAHLLOKOSA-N 0 3 360.458 3.116 20 5 FGBDHN C[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000498159897 503121878 /nfs/dbraw/zinc/12/18/78/503121878.db2.gz WQSFZONMDDCZDH-KDOFPFPSSA-N 0 3 363.483 3.433 20 5 FGBDHN COc1cccc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510524491 503133338 /nfs/dbraw/zinc/13/33/38/503133338.db2.gz LJQKPWUMWLUFPF-KDOFPFPSSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1c(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000510874134 503208317 /nfs/dbraw/zinc/20/83/17/503208317.db2.gz IHYNBXYZKZGEPA-CYBMUJFWSA-N 0 3 373.375 3.184 20 5 FGBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000510875792 503208424 /nfs/dbraw/zinc/20/84/24/503208424.db2.gz FNSPBSIMLPIWDG-CVEARBPZSA-N 0 3 362.474 3.042 20 5 FGBDHN CC(C)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000502562514 503225651 /nfs/dbraw/zinc/22/56/51/503225651.db2.gz HBOMNWOGQSUXQG-VQIMIIECSA-N 0 3 362.401 3.461 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510970714 503227438 /nfs/dbraw/zinc/22/74/38/503227438.db2.gz SVFITDQWAZRKBO-STQMWFEESA-N 0 3 373.375 3.436 20 5 FGBDHN COc1cc2c(cc1F)CC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515054651 503260490 /nfs/dbraw/zinc/26/04/90/503260490.db2.gz FIUGDUAGTIHTPK-OAHLLOKOSA-N 0 3 373.384 3.348 20 5 FGBDHN CN(CCC(=O)N1CCCc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511127874 503262849 /nfs/dbraw/zinc/26/28/49/503262849.db2.gz XKXQRDWFUKUSND-UHFFFAOYSA-N 0 3 367.449 3.439 20 5 FGBDHN CCc1cc(N(C)[C@H]2CCN(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498912369 503291187 /nfs/dbraw/zinc/29/11/87/503291187.db2.gz USRIZQSKDKQKFA-SFHVURJKSA-N 0 3 367.453 3.287 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000492926903 503393823 /nfs/dbraw/zinc/39/38/23/503393823.db2.gz IBBRMKSKMURHNV-UHFFFAOYSA-N 0 3 351.472 3.169 20 5 FGBDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000503446652 503411504 /nfs/dbraw/zinc/41/15/04/503411504.db2.gz MGFDBMBXKQWCTF-DUVNUKRYSA-N 0 3 351.472 3.494 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000499745098 503472691 /nfs/dbraw/zinc/47/26/91/503472691.db2.gz WEZIYEXJZKPGDY-KRWDZBQOSA-N 0 3 374.485 3.189 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000494058348 503480932 /nfs/dbraw/zinc/48/09/32/503480932.db2.gz FQOGUBBMGWJRFP-YJBOKZPZSA-N 0 3 353.422 3.296 20 5 FGBDHN COc1cc(CNCCC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494667557 503587489 /nfs/dbraw/zinc/58/74/89/503587489.db2.gz UFPMRHILBBSDNB-UHFFFAOYSA-N 0 3 374.384 3.154 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000500536555 503643477 /nfs/dbraw/zinc/64/34/77/503643477.db2.gz ZLKDCCNBWCXGRO-YOEHRIQHSA-N 0 3 374.441 3.159 20 5 FGBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000495053141 503652841 /nfs/dbraw/zinc/65/28/41/503652841.db2.gz WXQDINFKPUIZRD-QRVBRYPASA-N 0 3 353.422 3.189 20 5 FGBDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495061526 503653901 /nfs/dbraw/zinc/65/39/01/503653901.db2.gz TVGMGVXIUUBVRP-CQSZACIVSA-N 0 3 350.415 3.027 20 5 FGBDHN Cc1cc(C)cc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246749 503697641 /nfs/dbraw/zinc/69/76/41/503697641.db2.gz ONDSULLHGRVRSB-HKUYNNGSSA-N 0 3 370.449 3.441 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000543427026 503765417 /nfs/dbraw/zinc/76/54/17/503765417.db2.gz BZUDBRLLRXTDIO-UONOGXRCSA-N 0 3 372.512 3.022 20 5 FGBDHN COc1cc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OCCO ZINC000517586310 503778746 /nfs/dbraw/zinc/77/87/46/503778746.db2.gz MRCDJUSLKBTFDI-DYVFJYSZSA-N 0 3 372.421 3.313 20 5 FGBDHN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000543643536 503838699 /nfs/dbraw/zinc/83/86/99/503838699.db2.gz FULGVKKMLWUTPR-UHFFFAOYSA-N 0 3 352.410 3.462 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1[N+](=O)[O-] ZINC000546874465 503912011 /nfs/dbraw/zinc/91/20/11/503912011.db2.gz 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C[C@@H](CN1CCC(C)CC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596843630 506632723 /nfs/dbraw/zinc/63/27/23/506632723.db2.gz GRILZHYGXQCHEB-HNNXBMFYSA-N 0 3 362.474 3.250 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000612580303 506636050 /nfs/dbraw/zinc/63/60/50/506636050.db2.gz OJYMIBUCODKWHW-OAQYLSRUSA-N 0 3 369.465 3.020 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000603864445 506640894 /nfs/dbraw/zinc/64/08/94/506640894.db2.gz FUBQMXVQQWTNJR-CALCHBBNSA-N 0 3 353.422 3.042 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599830366 506663592 /nfs/dbraw/zinc/66/35/92/506663592.db2.gz RLRBKORRLWODFS-OLZOCXBDSA-N 0 3 357.414 3.089 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCn3cncn3)o2)c(Cl)c1 ZINC000608835587 506721606 /nfs/dbraw/zinc/72/16/06/506721606.db2.gz AIRFNSTYKJWDBR-UHFFFAOYSA-N 0 3 361.789 3.280 20 5 FGBDHN CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593679912 506727914 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CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470958 506962891 /nfs/dbraw/zinc/96/28/91/506962891.db2.gz QEWIIADBJHMNAE-VQIMIIECSA-N 0 3 359.470 3.297 20 5 FGBDHN C[C@@H]1CN2CCCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767150 506993796 /nfs/dbraw/zinc/99/37/96/506993796.db2.gz QEOSAIXTFJBYLE-QAPCUYQASA-N 0 3 370.453 3.351 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609877628 507035385 /nfs/dbraw/zinc/03/53/85/507035385.db2.gz NQLXGVHJXIHNGK-CQSZACIVSA-N 0 3 374.466 3.323 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000597669409 507055091 /nfs/dbraw/zinc/05/50/91/507055091.db2.gz SQWRPEAOTZNPPT-KRWDZBQOSA-N 0 3 368.437 3.457 20 5 FGBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000597716757 507073033 /nfs/dbraw/zinc/07/30/33/507073033.db2.gz UCERLDHEBBNFGW-SFHVURJKSA-N 0 3 359.451 3.367 20 5 FGBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503205 507158147 /nfs/dbraw/zinc/15/81/47/507158147.db2.gz GSWAVGNSEAZOTI-QAPCUYQASA-N 0 3 356.422 3.228 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597924892 507177450 /nfs/dbraw/zinc/17/74/50/507177450.db2.gz UOUZLGLSESVREK-GFCCVEGCSA-N 0 3 359.348 3.216 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433540 507238021 /nfs/dbraw/zinc/23/80/21/507238021.db2.gz QXLLERVVZSCDNM-IBGZPJMESA-N 0 3 355.438 3.180 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccnc(N2CCSCC2)c1 ZINC000601152638 507279435 /nfs/dbraw/zinc/27/94/35/507279435.db2.gz OQWGNWOMRACAML-HYXAFXHYSA-N 0 3 370.478 3.346 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000610587013 507307621 /nfs/dbraw/zinc/30/76/21/507307621.db2.gz JQUZTOGXHGNHQV-NSHDSACASA-N 0 3 372.372 3.192 20 5 FGBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598195363 507307679 /nfs/dbraw/zinc/30/76/79/507307679.db2.gz MBBIHWFGHWBIMG-KRWDZBQOSA-N 0 3 371.412 3.123 20 5 FGBDHN COc1ccc(-c2ccc(CNC[C@H](CO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000594982831 507341634 /nfs/dbraw/zinc/34/16/34/507341634.db2.gz ILUBAMNXYBLSKS-CQSZACIVSA-N 0 3 360.410 3.362 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(OCCN(C)C)c1 ZINC000595008156 507352257 /nfs/dbraw/zinc/35/22/57/507352257.db2.gz BIBGTROIJZWELI-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000591768190 507353395 /nfs/dbraw/zinc/35/33/95/507353395.db2.gz LBABIJBRZSZDIM-KUHUBIRLSA-N 0 3 360.385 3.141 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1cn2cccc(C)c2n1 ZINC000595013243 507353332 /nfs/dbraw/zinc/35/33/32/507353332.db2.gz PFDVXFTVDVERPG-CQSZACIVSA-N 0 3 354.410 3.453 20 5 FGBDHN CC[C@H](N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595095143 507388357 /nfs/dbraw/zinc/38/83/57/507388357.db2.gz FURWACFNHIGMCU-IPMKNSEASA-N 0 3 359.470 3.279 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c(C2CCC2)cnn1C ZINC000595096554 507389974 /nfs/dbraw/zinc/38/99/74/507389974.db2.gz BKJLMRYMDSLQJT-ZDUSSCGKSA-N 0 3 371.441 3.103 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](CO)Cc3ccco3)o2)c1 ZINC000610871127 507423564 /nfs/dbraw/zinc/42/35/64/507423564.db2.gz HFERKSJYWBLSFO-AWEZNQCLSA-N 0 3 356.378 3.389 20 5 FGBDHN C[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595234550 507434597 /nfs/dbraw/zinc/43/45/97/507434597.db2.gz LESSSJPBBBJQFG-UGSOOPFHSA-N 0 3 370.409 3.138 20 5 FGBDHN CSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595259254 507442421 /nfs/dbraw/zinc/44/24/21/507442421.db2.gz ZZQWFDQJIVWGBN-INIZCTEOSA-N 0 3 373.434 3.230 20 5 FGBDHN CCn1cc(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000592133503 507498302 /nfs/dbraw/zinc/49/83/02/507498302.db2.gz WQPYYPHZQQQJBX-WGSAOQKQSA-N 0 3 372.469 3.159 20 5 FGBDHN C[C@@]1(Cc2ccccc2F)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592143528 507504870 /nfs/dbraw/zinc/50/48/70/507504870.db2.gz GQNYDPCTYJWTEN-FQEVSTJZSA-N 0 3 371.412 3.430 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592153938 507510339 /nfs/dbraw/zinc/51/03/39/507510339.db2.gz DMTWUIDSHHGUJQ-YJBOKZPZSA-N 0 3 353.422 3.294 20 5 FGBDHN Cc1cccc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000592146012 507510802 /nfs/dbraw/zinc/51/08/02/507510802.db2.gz JGBNFWFMVHSEET-QGZVFWFLSA-N 0 3 356.422 3.312 20 5 FGBDHN Cc1ccc(CN2CC[C@@H](CN(C)Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595478821 507521430 /nfs/dbraw/zinc/52/14/30/507521430.db2.gz XAYSNUSBZURLIX-AWEZNQCLSA-N 0 3 364.471 3.215 20 5 FGBDHN CC(C)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC=CC1 ZINC000592179314 507525559 /nfs/dbraw/zinc/52/55/59/507525559.db2.gz OQQASULALYORPV-KRWDZBQOSA-N 0 3 372.425 3.088 20 5 FGBDHN COc1cc(CCCNCc2csc([N+](=O)[O-])c2)cc(OC)c1O ZINC000598647519 507531475 /nfs/dbraw/zinc/53/14/75/507531475.db2.gz DNLABPLAXAQCAS-UHFFFAOYSA-N 0 3 352.412 3.102 20 5 FGBDHN CC(C)n1cc(C2=CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595514523 507539332 /nfs/dbraw/zinc/53/93/32/507539332.db2.gz IQNZLWZEWSKBHJ-UHFFFAOYSA-N 0 3 355.442 3.489 20 5 FGBDHN CC(C)n1cc(C2=CCCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595515271 507540226 /nfs/dbraw/zinc/54/02/26/507540226.db2.gz MXLIOKHXTFVKEQ-UHFFFAOYSA-N 0 3 371.441 3.325 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2ccco2)CC1 ZINC000595616325 507594405 /nfs/dbraw/zinc/59/44/05/507594405.db2.gz SJKXOUBSFSXTTB-UHFFFAOYSA-N 0 3 371.393 3.365 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592372758 507623915 /nfs/dbraw/zinc/62/39/15/507623915.db2.gz NYICLRFQWBQRJH-UHFFFAOYSA-N 0 3 364.442 3.131 20 5 FGBDHN CC(C)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@]1(O)CCOC1 ZINC000592375608 507624983 /nfs/dbraw/zinc/62/49/83/507624983.db2.gz WPHQXHWFNZYGKE-IBGZPJMESA-N 0 3 360.410 3.122 20 5 FGBDHN CN(C)CCOc1cccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602493560 507727394 /nfs/dbraw/zinc/72/73/94/507727394.db2.gz WRTLNCHGNPSCOU-UHFFFAOYSA-N 0 3 356.382 3.289 20 5 FGBDHN CCOc1ccc(C(=O)N2CCCc3cccc(CN)c32)cc1[N+](=O)[O-] ZINC000602540448 507743000 /nfs/dbraw/zinc/74/30/00/507743000.db2.gz QQJLJGNGPRDUMV-UHFFFAOYSA-N 0 3 355.394 3.045 20 5 FGBDHN O=[N+]([O-])c1sc(CNCC2(CCO)CCCC2)cc1Br ZINC000602563470 507749137 /nfs/dbraw/zinc/74/91/37/507749137.db2.gz WNBZUMGSTUTWIJ-UHFFFAOYSA-N 0 3 363.277 3.451 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000783918292 724803612 /nfs/dbraw/zinc/80/36/12/724803612.db2.gz IEBIOVAODFPZFN-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000729335135 722458956 /nfs/dbraw/zinc/45/89/56/722458956.db2.gz RZMCZFARWFJELI-UHFFFAOYSA-N 0 3 351.422 3.318 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000757700820 722978607 /nfs/dbraw/zinc/97/86/07/722978607.db2.gz DFKSJPDPRCMPFX-GFCCVEGCSA-N 0 3 367.833 3.099 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790583655 723155645 /nfs/dbraw/zinc/15/56/45/723155645.db2.gz NZKDPZNOAQSGEO-HNNXBMFYSA-N 0 3 371.840 3.166 20 5 FGBDHN O=C(NCCNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000761519807 723161851 /nfs/dbraw/zinc/16/18/51/723161851.db2.gz IUHSULYHCDRLGV-UHFFFAOYSA-N 0 3 368.220 3.421 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000774475458 723898414 /nfs/dbraw/zinc/89/84/14/723898414.db2.gz GTFIAMUSRCQWTC-DZGCQCFKSA-N 0 3 350.415 3.330 20 5 FGBDHN CCOC(=O)N1CCC([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000778197351 724309868 /nfs/dbraw/zinc/30/98/68/724309868.db2.gz GYBHCQZPFHDLNV-LBPRGKRZSA-N 0 3 353.394 3.081 20 5 FGBDHN Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813102519 726838920 /nfs/dbraw/zinc/83/89/20/726838920.db2.gz HMKQCGYAIQKTBZ-NSHDSACASA-N 0 3 359.407 3.277 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1C1CC1 ZINC000813475780 726882676 /nfs/dbraw/zinc/88/26/76/726882676.db2.gz GKGFPXMNJUHICO-PSASIEDQSA-N 0 3 358.225 3.257 20 5 FGBDHN CC([C@@H](OC(=O)C[C@@H]1CSCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845881204 730905773 /nfs/dbraw/zinc/90/57/73/730905773.db2.gz ZJZYYPPHQVTCSF-UEKVPHQBSA-N 0 3 359.444 3.314 20 5 FGBDHN CCc1nc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845880521 730905812 /nfs/dbraw/zinc/90/58/12/730905812.db2.gz ZVVUYEYVPISEQZ-QFYYESIMSA-N 0 3 352.387 3.337 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254750 731040810 /nfs/dbraw/zinc/04/08/10/731040810.db2.gz HIKZCEBSWWBJMY-HUUCEWRRSA-N 0 3 351.834 3.303 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1F ZINC000855899944 731966053 /nfs/dbraw/zinc/96/60/53/731966053.db2.gz YFRQBVPPHOEIAS-GFCCVEGCSA-N 0 3 355.385 3.032 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000858821406 732249755 /nfs/dbraw/zinc/24/97/55/732249755.db2.gz HNMVJYJYLHVEAE-UHFFFAOYSA-N 0 3 353.850 3.329 20 5 FGBDHN CCSc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000860776996 732569982 /nfs/dbraw/zinc/56/99/82/732569982.db2.gz ISPCILDHDGRVRR-VIFPVBQESA-N 0 3 362.245 3.312 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000862631237 732858268 /nfs/dbraw/zinc/85/82/68/732858268.db2.gz MKCHBWKFMXNUNX-AWEZNQCLSA-N 0 3 351.834 3.385 20 5 FGBDHN CC(C)(C)OC(=O)N[C@H](CNCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000865419388 733196072 /nfs/dbraw/zinc/19/60/72/733196072.db2.gz RNASGCNZPZWSCG-LBPRGKRZSA-N 0 3 359.373 3.233 20 5 FGBDHN CC(C)CC(=O)N1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872028558 735578537 /nfs/dbraw/zinc/57/85/37/735578537.db2.gz KLQFSOUIPOKYAU-ZDUSSCGKSA-N 0 3 351.422 3.422 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000872050091 735581833 /nfs/dbraw/zinc/58/18/33/735581833.db2.gz WXJGHRUVCRFQRF-OUCADQQQSA-N 0 3 372.512 3.323 20 5 FGBDHN O=[N+]([O-])c1sc(CNC[C@H]2CSCCS2)cc1Br ZINC000877086706 736186324 /nfs/dbraw/zinc/18/63/24/736186324.db2.gz RJMCADOZAUMKCN-QMMMGPOBSA-N 0 3 369.331 3.357 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCN1CCCCC1 ZINC000920778048 758599735 /nfs/dbraw/zinc/59/97/35/758599735.db2.gz PDKJDMHPVQIFGX-GFCCVEGCSA-N 0 3 356.806 3.045 20 5 FGBDHN COCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102419408 257350418 /nfs/dbraw/zinc/35/04/18/257350418.db2.gz VBCVUMUBLPACDG-UHFFFAOYSA-N 0 3 355.188 3.353 20 5 FGBDHN CCOc1cc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000579969601 505655072 /nfs/dbraw/zinc/65/50/72/505655072.db2.gz JYSPIRRSBBFNGH-INIZCTEOSA-N 0 3 358.442 3.353 20 5 FGBDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076732749 493961636 /nfs/dbraw/zinc/96/16/36/493961636.db2.gz KVDJIJKENSLBCY-LBPRGKRZSA-N 0 3 361.829 3.410 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000064350077 494116761 /nfs/dbraw/zinc/11/67/61/494116761.db2.gz ZEYGBAODQXSOQY-GOSISDBHSA-N 0 3 362.401 3.384 20 5 FGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087188897 494181072 /nfs/dbraw/zinc/18/10/72/494181072.db2.gz UJQATCQPBYDVHX-UHFFFAOYSA-N 0 3 373.428 3.257 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCOCCc3ccccc3)C2)nc1 ZINC000072664910 494228969 /nfs/dbraw/zinc/22/89/69/494228969.db2.gz ACHOSVAMXMOJLX-SFHVURJKSA-N 0 3 370.453 3.125 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813418 494246087 /nfs/dbraw/zinc/24/60/87/494246087.db2.gz QKJHLSARAWWWBM-IBGZPJMESA-N 0 3 368.437 3.231 20 5 FGBDHN COc1ccc([C@H](CN(C)C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571344419 505710993 /nfs/dbraw/zinc/71/09/93/505710993.db2.gz INEZPQDLOCUMSU-MOPGFXCFSA-N 0 3 355.438 3.483 20 5 FGBDHN NC(=O)c1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908506 494426727 /nfs/dbraw/zinc/42/67/27/494426727.db2.gz KAKHNGCYCOWXGY-KRWDZBQOSA-N 0 3 357.385 3.040 20 5 FGBDHN CCCN(CCN1CCCCCC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568558195 505721532 /nfs/dbraw/zinc/72/15/32/505721532.db2.gz OOQWZPGOGHPLQN-UHFFFAOYSA-N 0 3 362.474 3.121 20 5 FGBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090071156 494436707 /nfs/dbraw/zinc/43/67/07/494436707.db2.gz TUNOXMVOSQPHQV-MRXNPFEDSA-N 0 3 369.469 3.095 20 5 FGBDHN CN(CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924681 494438993 /nfs/dbraw/zinc/43/89/93/494438993.db2.gz IINQVKSHOQILCY-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000023738742 494578203 /nfs/dbraw/zinc/57/82/03/494578203.db2.gz ZHJNPOCODFHXPX-GOSISDBHSA-N 0 3 369.421 3.170 20 5 FGBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131380935 494601239 /nfs/dbraw/zinc/60/12/39/494601239.db2.gz BKPGGGYWPQYJGM-KRWDZBQOSA-N 0 3 373.409 3.500 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccco1 ZINC000580351542 505738278 /nfs/dbraw/zinc/73/82/78/505738278.db2.gz FZLAKRHPIAUWBW-GXTWGEPZSA-N 0 3 361.398 3.056 20 5 FGBDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068113763 494766195 /nfs/dbraw/zinc/76/61/95/494766195.db2.gz FQJADPVHNAHEET-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN COc1ccccc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000026223483 494810624 /nfs/dbraw/zinc/81/06/24/494810624.db2.gz IUKOYBNDDZLPDU-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000026713154 494834372 /nfs/dbraw/zinc/83/43/72/494834372.db2.gz OWBLLQDTXITDHP-MLGOLLRUSA-N 0 3 350.802 3.339 20 5 FGBDHN CCOC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093418892 494890650 /nfs/dbraw/zinc/89/06/50/494890650.db2.gz DZLTYSMNKYUPDS-HNNXBMFYSA-N 0 3 358.442 3.244 20 5 FGBDHN Cc1ccc([C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000127437540 494944741 /nfs/dbraw/zinc/94/47/41/494944741.db2.gz UUJKIDTYEHDLGP-MAUKXSAKSA-N 0 3 359.426 3.220 20 5 FGBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000122373006 494965139 /nfs/dbraw/zinc/96/51/39/494965139.db2.gz DEJZBKZFUCGGLX-LBPRGKRZSA-N 0 3 372.263 3.063 20 5 FGBDHN CC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102419335 495135296 /nfs/dbraw/zinc/13/52/96/495135296.db2.gz TTWHFFMPJFAFCW-JTQLQIEISA-N 0 3 369.215 3.478 20 5 FGBDHN C[C@H](CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102424298 495136443 /nfs/dbraw/zinc/13/64/43/495136443.db2.gz HWWXCCRTODUJCU-JTQLQIEISA-N 0 3 369.215 3.335 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000129019488 495183226 /nfs/dbraw/zinc/18/32/26/495183226.db2.gz KBQMEVZFNXMBHB-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(C2CCC2)cc1 ZINC000577622898 505766793 /nfs/dbraw/zinc/76/67/93/505766793.db2.gz WOZCUCAWIBAXSZ-SFHVURJKSA-N 0 3 356.422 3.392 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119586957 495196554 /nfs/dbraw/zinc/19/65/54/495196554.db2.gz CFKCQBFYHJLYLN-HNAYVOBHSA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CN(C)CCO1 ZINC000129110536 495197522 /nfs/dbraw/zinc/19/75/22/495197522.db2.gz VAUQIYYKDCUGOQ-DYVFJYSZSA-N 0 3 361.467 3.132 20 5 FGBDHN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000134897361 495218881 /nfs/dbraw/zinc/21/88/81/495218881.db2.gz WQGZTCJJCBCRHB-PBHICJAKSA-N 0 3 353.422 3.296 20 5 FGBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCN(Cc2ccccc2)CC1 ZINC000113094927 495274632 /nfs/dbraw/zinc/27/46/32/495274632.db2.gz MYQUOMHWVXEVHA-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccnc1)C1CC1 ZINC000124674050 495325436 /nfs/dbraw/zinc/32/54/36/495325436.db2.gz HROYAZYDRSLDBD-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(N2CC=CC2)CC1 ZINC000136718896 495396684 /nfs/dbraw/zinc/39/66/84/495396684.db2.gz QRRXDPQSBJMDHP-UHFFFAOYSA-N 0 3 350.806 3.116 20 5 FGBDHN CCN(CC)C(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000139042571 495472123 /nfs/dbraw/zinc/47/21/23/495472123.db2.gz JRPNPFKMCBGIIL-LJQANCHMSA-N 0 3 355.438 3.337 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H](N2CCCC2)C1 ZINC000107524719 495528442 /nfs/dbraw/zinc/52/84/42/495528442.db2.gz ZANCGOLLCHTFPU-AWEZNQCLSA-N 0 3 351.834 3.339 20 5 FGBDHN C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173528773 495574960 /nfs/dbraw/zinc/57/49/60/495574960.db2.gz VCQDWGLZLPHDGS-QGZVFWFLSA-N 0 3 367.449 3.260 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518064 495624662 /nfs/dbraw/zinc/62/46/62/495624662.db2.gz VRGWLJWGTHFZFU-HNNXBMFYSA-N 0 3 371.441 3.239 20 5 FGBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000182620425 495638588 /nfs/dbraw/zinc/63/85/88/495638588.db2.gz FTMBJSGXMVGQBW-BBRMVZONSA-N 0 3 356.378 3.432 20 5 FGBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000179627845 495667226 /nfs/dbraw/zinc/66/72/26/495667226.db2.gz IMAZJZAWDKDYFJ-KBXCAEBGSA-N 0 3 366.364 3.354 20 5 FGBDHN C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000151055259 495725179 /nfs/dbraw/zinc/72/51/79/495725179.db2.gz WEWUTCWNCLIPND-JSGCOSHPSA-N 0 3 358.467 3.433 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000182914828 495755137 /nfs/dbraw/zinc/75/51/37/495755137.db2.gz VONSAYCAMONZSW-KSSFIOAISA-N 0 3 358.442 3.143 20 5 FGBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000151150209 495755655 /nfs/dbraw/zinc/75/56/55/495755655.db2.gz CSMGHHCTTXDHOJ-UOJODKQESA-N 0 3 367.833 3.122 20 5 FGBDHN COc1ccccc1C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000185884983 495764607 /nfs/dbraw/zinc/76/46/07/495764607.db2.gz NHCJRAUMPNIAJO-KRWDZBQOSA-N 0 3 371.437 3.059 20 5 FGBDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179960160 495801034 /nfs/dbraw/zinc/80/10/34/495801034.db2.gz CLFSDSRSSBQUCM-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1Oc2ccccc2O[C@H]1C ZINC000171446507 495877814 /nfs/dbraw/zinc/87/78/14/495877814.db2.gz SPUSHQPBBFQKAQ-SOZUMNATSA-N 0 3 354.362 3.101 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000177192578 495969471 /nfs/dbraw/zinc/96/94/71/495969471.db2.gz IZKQWKIEKKZCFQ-YJBOKZPZSA-N 0 3 368.437 3.057 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(Cc2ccccc2)CC1 ZINC000571794088 505816477 /nfs/dbraw/zinc/81/64/77/505816477.db2.gz IZKTWFWQAGOXRL-UHFFFAOYSA-N 0 3 357.458 3.220 20 5 FGBDHN CC(C)(CCc1ccccc1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000151965326 496007318 /nfs/dbraw/zinc/00/73/18/496007318.db2.gz LWDAKOFBPWOIFG-UHFFFAOYSA-N 0 3 367.449 3.485 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177342142 496026053 /nfs/dbraw/zinc/02/60/53/496026053.db2.gz FUUSTFYUWXFFOH-UHFFFAOYSA-N 0 3 356.426 3.406 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000161063070 496095689 /nfs/dbraw/zinc/09/56/89/496095689.db2.gz JRLKEAOHHVEMER-LJQANCHMSA-N 0 3 370.453 3.048 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000155984979 496125633 /nfs/dbraw/zinc/12/56/33/496125633.db2.gz WRSIOLOTZFAMBQ-LJQANCHMSA-N 0 3 366.421 3.417 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](CO)SC)o2)c([N+](=O)[O-])c1 ZINC000152438162 496150667 /nfs/dbraw/zinc/15/06/67/496150667.db2.gz PPFCDGXQMUVMSX-APPDUMDISA-N 0 3 366.439 3.065 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccncc2)cc1 ZINC000180887654 496187161 /nfs/dbraw/zinc/18/71/61/496187161.db2.gz HCMRUMREYMSMNO-OAHLLOKOSA-N 0 3 364.405 3.169 20 5 FGBDHN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C1 ZINC000186938468 496220395 /nfs/dbraw/zinc/22/03/95/496220395.db2.gz ZLQKZKASZIMBHV-ZDUSSCGKSA-N 0 3 370.409 3.180 20 5 FGBDHN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C1 ZINC000186938468 496220396 /nfs/dbraw/zinc/22/03/96/496220396.db2.gz ZLQKZKASZIMBHV-ZDUSSCGKSA-N 0 3 370.409 3.180 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCc2ccccc21 ZINC000177985371 496277369 /nfs/dbraw/zinc/27/73/69/496277369.db2.gz JRYMMGSSIAKXBA-INIZCTEOSA-N 0 3 367.449 3.485 20 5 FGBDHN C[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780571 505836519 /nfs/dbraw/zinc/83/65/19/505836519.db2.gz DWDWHKPYIMYXEG-IIBYNOLFSA-N 0 3 367.449 3.479 20 5 FGBDHN C[C@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000162382689 496345917 /nfs/dbraw/zinc/34/59/17/496345917.db2.gz RLSDHWMBLJFOGF-OAQYLSRUSA-N 0 3 367.449 3.308 20 5 FGBDHN COc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187221918 496346327 /nfs/dbraw/zinc/34/63/27/496346327.db2.gz DLLHPYUFFNEOGH-FZKQIMNGSA-N 0 3 357.410 3.025 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178201266 496367759 /nfs/dbraw/zinc/36/77/59/496367759.db2.gz ULJMBXLUAOJNSM-CQSZACIVSA-N 0 3 368.437 3.132 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000153174197 496373910 /nfs/dbraw/zinc/37/39/10/496373910.db2.gz AFNCRAQXHIHPQN-WBVHZDCISA-N 0 3 374.437 3.392 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000162620543 496383433 /nfs/dbraw/zinc/38/34/33/496383433.db2.gz FENDFGKNPVQRHP-KRWDZBQOSA-N 0 3 356.426 3.198 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181541436 496438455 /nfs/dbraw/zinc/43/84/55/496438455.db2.gz HIOBRTSWWGFKNQ-KGLIPLIRSA-N 0 3 357.410 3.324 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000163020714 496450919 /nfs/dbraw/zinc/45/09/19/496450919.db2.gz FBLOQGKQUDBWGT-IGCXYCKISA-N 0 3 355.394 3.076 20 5 FGBDHN C[C@@H](C(=O)NCc1ccccc1CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184762995 496522988 /nfs/dbraw/zinc/52/29/88/496522988.db2.gz XKXOCLODIDKHGW-CYBMUJFWSA-N 0 3 359.401 3.215 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000187669364 496528585 /nfs/dbraw/zinc/52/85/85/496528585.db2.gz DNIFWQSTHOPKRV-QGZVFWFLSA-N 0 3 369.425 3.022 20 5 FGBDHN CCOc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181825930 496561151 /nfs/dbraw/zinc/56/11/51/496561151.db2.gz WVWJCYSRPKNIDG-WBVHZDCISA-N 0 3 374.437 3.392 20 5 FGBDHN CN(CCc1ccc(Cl)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181881961 496584456 /nfs/dbraw/zinc/58/44/56/496584456.db2.gz OOPKDMCNAGJZDT-MRXNPFEDSA-N 0 3 364.829 3.162 20 5 FGBDHN COc1cc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1SC ZINC000153820122 496591054 /nfs/dbraw/zinc/59/10/54/496591054.db2.gz BXKVUVDIZIOVFH-INIZCTEOSA-N 0 3 362.451 3.491 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccncc1 ZINC000153834526 496596049 /nfs/dbraw/zinc/59/60/49/496596049.db2.gz BDRMIKOSSSYJCP-KRWDZBQOSA-N 0 3 370.409 3.164 20 5 FGBDHN CC(C)Sc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182110903 496672861 /nfs/dbraw/zinc/67/28/61/496672861.db2.gz DIAXWNNKEDXRJR-CJNGLKHVSA-N 0 3 364.471 3.004 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000154111148 496687042 /nfs/dbraw/zinc/68/70/42/496687042.db2.gz KTSBOHWUZQCSJC-CQSZACIVSA-N 0 3 365.499 3.415 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CCC2)cc1 ZINC000182153127 496690219 /nfs/dbraw/zinc/69/02/19/496690219.db2.gz OKRUNLVOLSVFJX-LJQANCHMSA-N 0 3 374.462 3.500 20 5 FGBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000182178252 496698957 /nfs/dbraw/zinc/69/89/57/496698957.db2.gz VGOOJBBBRPPSKG-DOTOQJQBSA-N 0 3 360.410 3.084 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000182189010 496701386 /nfs/dbraw/zinc/70/13/86/496701386.db2.gz QOVQDMLQWMGNJD-QGZVFWFLSA-N 0 3 360.385 3.138 20 5 FGBDHN O=C(CCN1CCC(c2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000191643943 496844071 /nfs/dbraw/zinc/84/40/71/496844071.db2.gz VLRHUKTXNOOCTK-UHFFFAOYSA-N 0 3 354.410 3.198 20 5 FGBDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189120633 497015290 /nfs/dbraw/zinc/01/52/90/497015290.db2.gz FCDCOQJADCHHBT-KRWDZBQOSA-N 0 3 360.389 3.238 20 5 FGBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248458706 497019235 /nfs/dbraw/zinc/01/92/35/497019235.db2.gz QNYKPCXGGBWLFB-AAEUAGOBSA-N 0 3 369.874 3.035 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000269924427 497025658 /nfs/dbraw/zinc/02/56/58/497025658.db2.gz BLCCOENYJSXEHD-MJSCVDMRSA-N 0 3 373.453 3.168 20 5 FGBDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000278287273 497062517 /nfs/dbraw/zinc/06/25/17/497062517.db2.gz QOSCZVRKKKAEAR-IBGZPJMESA-N 0 3 374.462 3.307 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000274670437 497141569 /nfs/dbraw/zinc/14/15/69/497141569.db2.gz XREJZPHBSJXQKO-FZKQIMNGSA-N 0 3 357.410 3.025 20 5 FGBDHN CN(C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265914213 497206989 /nfs/dbraw/zinc/20/69/89/497206989.db2.gz JEOCZTLJVLIBEF-UHFFFAOYSA-N 0 3 373.840 3.077 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000189785140 497243801 /nfs/dbraw/zinc/24/38/01/497243801.db2.gz YSTSRDRPJSGKKS-WMZOPIPTSA-N 0 3 370.409 3.170 20 5 FGBDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192932416 497251394 /nfs/dbraw/zinc/25/13/94/497251394.db2.gz VPZXLUIDPODGCT-LJQANCHMSA-N 0 3 374.462 3.307 20 5 FGBDHN CN(C)C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(F)cc1 ZINC000572128058 505896826 /nfs/dbraw/zinc/89/68/26/505896826.db2.gz HBQSODVSUMJAPU-MRXNPFEDSA-N 0 3 370.384 3.248 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000266282847 497295561 /nfs/dbraw/zinc/29/55/61/497295561.db2.gz HAICOVUGBGNQFK-PWSUYJOCSA-N 0 3 359.348 3.168 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)C ZINC000275759806 497423858 /nfs/dbraw/zinc/42/38/58/497423858.db2.gz ROZPHYSNRLAFNX-JTQLQIEISA-N 0 3 359.376 3.052 20 5 FGBDHN C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1=CCN(C)CC1 ZINC000276037935 497486041 /nfs/dbraw/zinc/48/60/41/497486041.db2.gz XFUKPUBZKXUWJC-CQSZACIVSA-N 0 3 361.445 3.474 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCNC[C@@H]3c3ccncc3)o2)cc1 ZINC000262100097 497508561 /nfs/dbraw/zinc/50/85/61/497508561.db2.gz VMGNJTOSKDYNTA-LJQANCHMSA-N 0 3 364.405 3.396 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000245754224 497529838 /nfs/dbraw/zinc/52/98/38/497529838.db2.gz HGEHRYLLZUVCNX-CVEARBPZSA-N 0 3 374.485 3.389 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000575089442 505917724 /nfs/dbraw/zinc/91/77/24/505917724.db2.gz KWKULGWCSXDWSW-CQSZACIVSA-N 0 3 373.375 3.326 20 5 FGBDHN COCCC1(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000272454729 497633093 /nfs/dbraw/zinc/63/30/93/497633093.db2.gz QCOXWGGXADOBNF-UHFFFAOYSA-N 0 3 374.384 3.154 20 5 FGBDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000246221496 497666486 /nfs/dbraw/zinc/66/64/86/497666486.db2.gz DPEPJIDRRGJPCQ-ZWKOTPCHSA-N 0 3 372.421 3.483 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000194468812 497677650 /nfs/dbraw/zinc/67/76/50/497677650.db2.gz TXDYGHPOVRWLKE-IBGZPJMESA-N 0 3 370.453 3.348 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000194552257 497703136 /nfs/dbraw/zinc/70/31/36/497703136.db2.gz VTMGXDPEKQPWCX-IBGZPJMESA-N 0 3 355.394 3.283 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000364341509 497909157 /nfs/dbraw/zinc/90/91/57/497909157.db2.gz JVSHSSQWVKYPAE-WOJBJXKFSA-N 0 3 354.406 3.150 20 5 FGBDHN COc1cc(CNCCC(C)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000296109113 497923546 /nfs/dbraw/zinc/92/35/46/497923546.db2.gz SGZBNEYPPOPVMB-UHFFFAOYSA-N 0 3 354.300 3.382 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN(C2CCC2)C1 ZINC000292394810 497999817 /nfs/dbraw/zinc/99/98/17/497999817.db2.gz NXMWVUALTIWDBF-ZDUSSCGKSA-N 0 3 356.426 3.023 20 5 FGBDHN Cc1ccnc(N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301292528 498042217 /nfs/dbraw/zinc/04/22/17/498042217.db2.gz OCIUYVIZBGVLRM-UHFFFAOYSA-N 0 3 354.454 3.443 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000281262311 498078078 /nfs/dbraw/zinc/07/80/78/498078078.db2.gz VKTJQCROFKVFLZ-ZBFHGGJFSA-N 0 3 357.435 3.413 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285643926 498157092 /nfs/dbraw/zinc/15/70/92/498157092.db2.gz RXWFYAVVWQMXJF-OAHLLOKOSA-N 0 3 362.348 3.143 20 5 FGBDHN Cc1cccc(CN2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000364826251 498160742 /nfs/dbraw/zinc/16/07/42/498160742.db2.gz HHHNVFDAAZLRNH-UHFFFAOYSA-N 0 3 367.449 3.227 20 5 FGBDHN COc1cc(CNCC2CC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000292862619 498174931 /nfs/dbraw/zinc/17/49/31/498174931.db2.gz VLONVCQMHJHRKB-UHFFFAOYSA-N 0 3 366.311 3.382 20 5 FGBDHN Cc1ccc(SCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000569711085 505998979 /nfs/dbraw/zinc/99/89/79/505998979.db2.gz LHYXDZDMUKQIJA-INIZCTEOSA-N 0 3 362.451 3.025 20 5 FGBDHN CN(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000301696251 498228617 /nfs/dbraw/zinc/22/86/17/498228617.db2.gz PTSYDHZCHURYLN-AWEZNQCLSA-N 0 3 365.231 3.467 20 5 FGBDHN CN(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(Cl)cc1 ZINC000302012197 498366620 /nfs/dbraw/zinc/36/66/20/498366620.db2.gz WTKAZJPPLDDIQK-CYBMUJFWSA-N 0 3 360.805 3.006 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157594 498404997 /nfs/dbraw/zinc/40/49/97/498404997.db2.gz TZACIOLMKYCFEW-VQIMIIECSA-N 0 3 370.453 3.041 20 5 FGBDHN Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302167152 498424535 /nfs/dbraw/zinc/42/45/35/498424535.db2.gz LATXJYSGNUKQKG-GJZGRUSLSA-N 0 3 358.442 3.363 20 5 FGBDHN Cc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302167151 498425309 /nfs/dbraw/zinc/42/53/09/498425309.db2.gz LATXJYSGNUKQKG-GASCZTMLSA-N 0 3 358.442 3.363 20 5 FGBDHN COc1cccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302771494 498566711 /nfs/dbraw/zinc/56/67/11/498566711.db2.gz CHXBCBJGXJHHIV-KRWDZBQOSA-N 0 3 371.437 3.306 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000298019312 498639211 /nfs/dbraw/zinc/63/92/11/498639211.db2.gz RFYJABDCDOHGPE-BEFAXECRSA-N 0 3 360.458 3.092 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)n1 ZINC000366013586 498733204 /nfs/dbraw/zinc/73/32/04/498733204.db2.gz OPBSTEXXLOFKCG-UHFFFAOYSA-N 0 3 370.388 3.158 20 5 FGBDHN C[C@H](NCCc1nc2cc(F)ccc2n1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814076 498813630 /nfs/dbraw/zinc/81/36/30/498813630.db2.gz PXQPPLVDONGBRX-NSHDSACASA-N 0 3 357.389 3.096 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)CCN2CCCCCC2)c1 ZINC000570127551 506095996 /nfs/dbraw/zinc/09/59/96/506095996.db2.gz ZUKINZDBKJAXJZ-UHFFFAOYSA-N 0 3 363.458 3.332 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295419720 499011875 /nfs/dbraw/zinc/01/18/75/499011875.db2.gz WVVJWPPTZSRWMV-STQMWFEESA-N 0 3 351.834 3.255 20 5 FGBDHN CCN1CCC(N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)CC1 ZINC000367111410 499150489 /nfs/dbraw/zinc/15/04/89/499150489.db2.gz XBUDSZORQTXFBF-UHFFFAOYSA-N 0 3 371.441 3.094 20 5 FGBDHN O=C1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C2CC2)N1 ZINC000370281277 499205258 /nfs/dbraw/zinc/20/52/58/499205258.db2.gz YUZSRGDZHZDZMX-VQIMIIECSA-N 0 3 355.394 3.002 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CSCCc4ccccc43)CC2)n1 ZINC000368038016 499258281 /nfs/dbraw/zinc/25/82/81/499258281.db2.gz OHBBQXQKBCCDBE-KRWDZBQOSA-N 0 3 358.467 3.459 20 5 FGBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000371309891 499308436 /nfs/dbraw/zinc/30/84/36/499308436.db2.gz DFFAAJKFIOKNFI-UHFFFAOYSA-N 0 3 371.359 3.314 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368593582 499311422 /nfs/dbraw/zinc/31/14/22/499311422.db2.gz UAERHHSYJGAGAK-IEBWSBKVSA-N 0 3 360.502 3.065 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368931756 499347981 /nfs/dbraw/zinc/34/79/81/499347981.db2.gz PNWSTFOHYLHEQQ-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN CCCN1CCN(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000369157925 499372183 /nfs/dbraw/zinc/37/21/83/499372183.db2.gz VKZGZJBOTYHERJ-UHFFFAOYSA-N 0 3 366.893 3.245 20 5 FGBDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386277 506145535 /nfs/dbraw/zinc/14/55/35/506145535.db2.gz ISPNCMTZICLFFY-YJBOKZPZSA-N 0 3 371.437 3.150 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369539342 499414632 /nfs/dbraw/zinc/41/46/32/499414632.db2.gz IAJKELAVCVECIQ-BLLLJJGKSA-N 0 3 360.439 3.471 20 5 FGBDHN CN1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369542295 499415061 /nfs/dbraw/zinc/41/50/61/499415061.db2.gz ZUAKHZRFZPVIGY-MLGOLLRUSA-N 0 3 360.439 3.471 20 5 FGBDHN CN1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369668614 499434352 /nfs/dbraw/zinc/43/43/52/499434352.db2.gz YFBLRGSNSPRJPH-BEFAXECRSA-N 0 3 373.478 3.398 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000378507675 499525630 /nfs/dbraw/zinc/52/56/30/499525630.db2.gz MFJHSBAYSFPDMN-URLQWDBASA-N 0 3 358.442 3.286 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000381029012 499544495 /nfs/dbraw/zinc/54/44/95/499544495.db2.gz WMDSQXIPQAFWQX-ROUUACIJSA-N 0 3 369.469 3.078 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2cccc(F)c2)CC1 ZINC000411468254 499744473 /nfs/dbraw/zinc/74/44/73/499744473.db2.gz AQFPMQCRCJDCEP-UHFFFAOYSA-N 0 3 373.384 3.350 20 5 FGBDHN Cc1ccc([C@@H](C)NCCc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000411473265 499745308 /nfs/dbraw/zinc/74/53/08/499745308.db2.gz JYDPBBXOUVVRQO-CYBMUJFWSA-N 0 3 352.394 3.445 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560105 499808972 /nfs/dbraw/zinc/80/89/72/499808972.db2.gz AGDPAWMNOWFUBL-KGLIPLIRSA-N 0 3 360.410 3.456 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415289915 499883907 /nfs/dbraw/zinc/88/39/07/499883907.db2.gz CKNXDDCSKKHYJP-INIZCTEOSA-N 0 3 354.410 3.220 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)o1 ZINC000573297588 506164536 /nfs/dbraw/zinc/16/45/36/506164536.db2.gz ANDDZZXKJSVQAT-CYBMUJFWSA-N 0 3 355.354 3.012 20 5 FGBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000413310450 499940214 /nfs/dbraw/zinc/94/02/14/499940214.db2.gz NHIFZPOKVAOCEE-JKSUJKDBSA-N 0 3 356.401 3.087 20 5 FGBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)N(C)C ZINC000413431932 499955587 /nfs/dbraw/zinc/95/55/87/499955587.db2.gz BKJUSWADQPOELC-OAHLLOKOSA-N 0 3 351.447 3.088 20 5 FGBDHN CN(C)C1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000416290762 500007865 /nfs/dbraw/zinc/00/78/65/500007865.db2.gz MWOYZMSRSSERAY-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN CC(C)(NCCC(=O)N1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429263196 500036707 /nfs/dbraw/zinc/03/67/07/500036707.db2.gz WZAJWVVRVRPOHR-UHFFFAOYSA-N 0 3 369.421 3.235 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(CC)CC ZINC000429344246 500056394 /nfs/dbraw/zinc/05/63/94/500056394.db2.gz LMACDJGTOUATLP-DLBZAZTESA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2F)cc1[N+](=O)[O-] ZINC000413898425 500090051 /nfs/dbraw/zinc/09/00/51/500090051.db2.gz GMNXPQILIKOJSD-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000413934272 500098545 /nfs/dbraw/zinc/09/85/45/500098545.db2.gz AGFRXMCOTRJMBR-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000425470297 500115737 /nfs/dbraw/zinc/11/57/37/500115737.db2.gz FLEHNVZUABWCHG-YUELXQCFSA-N 0 3 367.243 3.405 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000417858249 500185759 /nfs/dbraw/zinc/18/57/59/500185759.db2.gz UWMMLOBSUBSZTH-FHLIZLRMSA-N 0 3 368.437 3.101 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000579463714 506181554 /nfs/dbraw/zinc/18/15/54/506181554.db2.gz HOXBCVAOXRWCFL-OWCLPIDISA-N 0 3 362.813 3.134 20 5 FGBDHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430751421 500280031 /nfs/dbraw/zinc/28/00/31/500280031.db2.gz WCCMOEHIKFFKPX-VBQJREDUSA-N 0 3 354.472 3.173 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418648387 500300789 /nfs/dbraw/zinc/30/07/89/500300789.db2.gz HTTPFWWGJXPTAX-GOSISDBHSA-N 0 3 370.453 3.041 20 5 FGBDHN Cc1cc(F)ccc1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000428708881 500547206 /nfs/dbraw/zinc/54/72/06/500547206.db2.gz IOAQDUKNPCEMBZ-UHFFFAOYSA-N 0 3 359.401 3.084 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420988019 500548635 /nfs/dbraw/zinc/54/86/35/500548635.db2.gz SBQWSDGKJYPFQM-WBVHZDCISA-N 0 3 366.364 3.321 20 5 FGBDHN CCc1cc(N2CCN(C)C[C@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573508336 506205798 /nfs/dbraw/zinc/20/57/98/506205798.db2.gz LXBLCVQPKRTYQE-MRXNPFEDSA-N 0 3 355.442 3.145 20 5 FGBDHN CCc1ccc([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000433052928 500614482 /nfs/dbraw/zinc/61/44/82/500614482.db2.gz NIKCHBAMCMDGIL-QGZVFWFLSA-N 0 3 353.422 3.246 20 5 FGBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000447538844 500620438 /nfs/dbraw/zinc/62/04/38/500620438.db2.gz DMUJOACVMGSUKK-HZPDHXFCSA-N 0 3 360.414 3.082 20 5 FGBDHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)n(C)n1 ZINC000447555880 500623558 /nfs/dbraw/zinc/62/35/58/500623558.db2.gz DDEORYMSKZFGFB-HOTGVXAUSA-N 0 3 357.458 3.265 20 5 FGBDHN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000442777574 500624697 /nfs/dbraw/zinc/62/46/97/500624697.db2.gz GGTYPIRXLTURKC-UHFFFAOYSA-N 0 3 356.348 3.458 20 5 FGBDHN CC1(C)C[C@@H](N[C@H]2CCCN(c3ncccn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433134125 500633041 /nfs/dbraw/zinc/63/30/41/500633041.db2.gz JUFHLNUZBRCHLK-KBXCAEBGSA-N 0 3 367.453 3.366 20 5 FGBDHN CN(CCN(C)C1CC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447679743 500644395 /nfs/dbraw/zinc/64/43/95/500644395.db2.gz LNXLNEZHKAZTKL-UHFFFAOYSA-N 0 3 368.306 3.174 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(C2CC2)CC1 ZINC000447816434 500669221 /nfs/dbraw/zinc/66/92/21/500669221.db2.gz KRMQSXGPXNSZTE-UHFFFAOYSA-N 0 3 353.806 3.074 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1CC(C)(C)O ZINC000438329920 500770935 /nfs/dbraw/zinc/77/09/35/500770935.db2.gz HUOBEAQXSZQVBS-OAHLLOKOSA-N 0 3 373.453 3.132 20 5 FGBDHN C[C@@H](CCN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444019643 500793618 /nfs/dbraw/zinc/79/36/18/500793618.db2.gz CXBLSRQCSFLXOR-NSHDSACASA-N 0 3 373.403 3.030 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCOC2(CCOCC2)C1 ZINC000602570386 506220716 /nfs/dbraw/zinc/22/07/16/506220716.db2.gz TVXCWJOFBNBJFJ-AWEZNQCLSA-N 0 3 374.359 3.431 20 5 FGBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000444658949 500874164 /nfs/dbraw/zinc/87/41/64/500874164.db2.gz CIQRURDCHFDXPN-KRWDZBQOSA-N 0 3 365.437 3.177 20 5 FGBDHN CSc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000439483090 500903614 /nfs/dbraw/zinc/90/36/14/500903614.db2.gz DYVPCXXCGCVVQD-HIFRSBDPSA-N 0 3 362.451 3.407 20 5 FGBDHN O=C(C[C@@H]1CSCCN1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000434877160 500906633 /nfs/dbraw/zinc/90/66/33/500906633.db2.gz NQDOSJUCEJFJKM-CQSZACIVSA-N 0 3 373.434 3.421 20 5 FGBDHN COc1ccc2c(c1)nc(CN[C@H](C)Cc1ccccc1[N+](=O)[O-])n2C ZINC000449246325 500956648 /nfs/dbraw/zinc/95/66/48/500956648.db2.gz AXRBFAMEWGNANT-CYBMUJFWSA-N 0 3 354.410 3.211 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000449337691 500981559 /nfs/dbraw/zinc/98/15/59/500981559.db2.gz SLMYUBMVLJGDLV-UKRRQHHQSA-N 0 3 357.385 3.060 20 5 FGBDHN COc1cc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000435744588 501021727 /nfs/dbraw/zinc/02/17/27/501021727.db2.gz XSHFXIPJOBMICX-INIZCTEOSA-N 0 3 363.458 3.196 20 5 FGBDHN COc1cc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000435744588 501021729 /nfs/dbraw/zinc/02/17/29/501021729.db2.gz XSHFXIPJOBMICX-INIZCTEOSA-N 0 3 363.458 3.196 20 5 FGBDHN CC[C@H](NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@H](C)O ZINC000449547726 501029625 /nfs/dbraw/zinc/02/96/25/501029625.db2.gz YNBPZXPTWHHHKI-YOEHRIQHSA-N 0 3 374.437 3.431 20 5 FGBDHN CCCN1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000435813148 501032841 /nfs/dbraw/zinc/03/28/41/501032841.db2.gz DSEMPYOQQDTUEM-UHFFFAOYSA-N 0 3 363.461 3.286 20 5 FGBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1(C)C ZINC000440680759 501038072 /nfs/dbraw/zinc/03/80/72/501038072.db2.gz SGPVTYTVVZMPIT-UHFFFAOYSA-N 0 3 364.490 3.210 20 5 FGBDHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682553 501061332 /nfs/dbraw/zinc/06/13/32/501061332.db2.gz XPJIWYROZOJSQN-CXAGYDPISA-N 0 3 362.451 3.295 20 5 FGBDHN COC[C@@]1(CO)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449697322 501063917 /nfs/dbraw/zinc/06/39/17/501063917.db2.gz LTAJSLPOEINZPB-SFHVURJKSA-N 0 3 362.451 3.154 20 5 FGBDHN CCOC(=O)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000441102611 501088320 /nfs/dbraw/zinc/08/83/20/501088320.db2.gz NBECMWZPOGKKPA-IBGZPJMESA-N 0 3 354.406 3.300 20 5 FGBDHN C[C@@H](CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000446768862 501163431 /nfs/dbraw/zinc/16/34/31/501163431.db2.gz OODABIWUKRJKPM-HNNXBMFYSA-N 0 3 362.451 3.152 20 5 FGBDHN CC(C)[C@@H](O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596064909 506238228 /nfs/dbraw/zinc/23/82/28/506238228.db2.gz CIPQWOUSEVHLFI-VQTJNVASSA-N 0 3 371.437 3.271 20 5 FGBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCCC2)cc1 ZINC000450214957 501212179 /nfs/dbraw/zinc/21/21/79/501212179.db2.gz JLHVUSDYHDQWEZ-SFHVURJKSA-N 0 3 371.441 3.341 20 5 FGBDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000436830622 501217761 /nfs/dbraw/zinc/21/77/61/501217761.db2.gz RBAHKMSPWPHNIM-CQSZACIVSA-N 0 3 369.421 3.256 20 5 FGBDHN CCOCCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1CC ZINC000450310140 501230998 /nfs/dbraw/zinc/23/09/98/501230998.db2.gz CIUZDPAPYBTDPP-OAHLLOKOSA-N 0 3 358.442 3.080 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000450973027 501236112 /nfs/dbraw/zinc/23/61/12/501236112.db2.gz RXFAKZBQUMRGAS-HZPDHXFCSA-N 0 3 361.442 3.169 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000451103212 501245927 /nfs/dbraw/zinc/24/59/27/501245927.db2.gz HETRBXOATYXDOJ-WFASDCNBSA-N 0 3 350.802 3.339 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596076323 506243762 /nfs/dbraw/zinc/24/37/62/506243762.db2.gz PDNSFPWRRZMNJS-ZYHUDNBSSA-N 0 3 353.806 3.074 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3[C@H]3CCC[C@@H]3O)co2)cc1 ZINC000451421244 501288943 /nfs/dbraw/zinc/28/89/43/501288943.db2.gz OCIMCIVGMOVEAX-KURKYZTESA-N 0 3 357.410 3.375 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000451557838 501324278 /nfs/dbraw/zinc/32/42/78/501324278.db2.gz FKXRPMGOEZOVCE-IEBWSBKVSA-N 0 3 356.422 3.214 20 5 FGBDHN Cc1cc(CNCCc2ccccc2[N+](=O)[O-])ncc1Br ZINC000598962014 506248537 /nfs/dbraw/zinc/24/85/37/506248537.db2.gz QQNIAOWADADLCZ-UHFFFAOYSA-N 0 3 350.216 3.393 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1 ZINC000452341782 501481733 /nfs/dbraw/zinc/48/17/33/501481733.db2.gz FEYBDOMRJODPFE-HNNXBMFYSA-N 0 3 363.458 3.234 20 5 FGBDHN C[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CCN(C)CC1 ZINC000454777492 501627984 /nfs/dbraw/zinc/62/79/84/501627984.db2.gz QVTHMSGFTYIACT-YJBOKZPZSA-N 0 3 372.469 3.134 20 5 FGBDHN Cn1ccnc1[C@@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602699264 506266735 /nfs/dbraw/zinc/26/67/35/506266735.db2.gz OZPCGPSISCCVFU-LJQANCHMSA-N 0 3 350.422 3.444 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCN(CC(F)F)C1 ZINC000602696433 506264886 /nfs/dbraw/zinc/26/48/86/506264886.db2.gz QOGRJGWVALQWRU-NSHDSACASA-N 0 3 353.291 3.043 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457097856 501650584 /nfs/dbraw/zinc/65/05/84/501650584.db2.gz SOFACMVQBKARJY-AWEZNQCLSA-N 0 3 351.472 3.262 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457122668 501654324 /nfs/dbraw/zinc/65/43/24/501654324.db2.gz OWSRPJDAPRDFIU-OAHLLOKOSA-N 0 3 374.466 3.273 20 5 FGBDHN O=c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C2CC2)[nH]1 ZINC000459517785 501668329 /nfs/dbraw/zinc/66/83/29/501668329.db2.gz RPGADSZSEPXUAX-OAHLLOKOSA-N 0 3 354.410 3.347 20 5 FGBDHN COCC[C@H]1CCCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266694 501752260 /nfs/dbraw/zinc/75/22/60/501752260.db2.gz UGQWHIOBCXHQBM-JKSUJKDBSA-N 0 3 363.458 3.369 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000474343809 501798264 /nfs/dbraw/zinc/79/82/64/501798264.db2.gz XVJQNXDRKXOCSR-QGZVFWFLSA-N 0 3 370.405 3.314 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000485394569 501808155 /nfs/dbraw/zinc/80/81/55/501808155.db2.gz IOUIIUYHSHVNJB-MRXNPFEDSA-N 0 3 356.401 3.469 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000471101426 501920337 /nfs/dbraw/zinc/92/03/37/501920337.db2.gz ZJLSDXDALWFDDD-OAHLLOKOSA-N 0 3 371.437 3.244 20 5 FGBDHN CCOC(=O)C1(C)CCC(NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000474720147 501933013 /nfs/dbraw/zinc/93/30/13/501933013.db2.gz AHJCQKDIGRQHQI-UHFFFAOYSA-N 0 3 350.415 3.205 20 5 FGBDHN CC[C@@H](N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482036312 501953736 /nfs/dbraw/zinc/95/37/36/501953736.db2.gz DNNPPJQTMJBDNB-DNVCBOLYSA-N 0 3 369.421 3.450 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000460933979 501961477 /nfs/dbraw/zinc/96/14/77/501961477.db2.gz LKSZITQIJXSPEY-HXUWFJFHSA-N 0 3 367.449 3.399 20 5 FGBDHN NC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000475095209 502056038 /nfs/dbraw/zinc/05/60/38/502056038.db2.gz KADPLYVUIBSJMF-UHFFFAOYSA-N 0 3 363.801 3.396 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475109481 502062241 /nfs/dbraw/zinc/06/22/41/502062241.db2.gz AWSBJUKAUBTISI-ZDUSSCGKSA-N 0 3 350.415 3.015 20 5 FGBDHN COc1c(C(=O)N(CCN(C)C)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000475110996 502063620 /nfs/dbraw/zinc/06/36/20/502063620.db2.gz OYTHALWNKKUPNR-UHFFFAOYSA-N 0 3 363.458 3.188 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ncnn1-c1ccccc1 ZINC000475285265 502118101 /nfs/dbraw/zinc/11/81/01/502118101.db2.gz GFFKZNZAUXNWHO-HNNXBMFYSA-N 0 3 351.410 3.286 20 5 FGBDHN Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475424026 502167798 /nfs/dbraw/zinc/16/77/98/502167798.db2.gz RYWXSRDSTXQZHM-SFHVURJKSA-N 0 3 353.422 3.250 20 5 FGBDHN COCCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461768950 502196871 /nfs/dbraw/zinc/19/68/71/502196871.db2.gz REOJXCULAYSNIS-UHFFFAOYSA-N 0 3 361.364 3.081 20 5 FGBDHN CCOc1cc(N2CCN(CCCc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000482873710 502204479 /nfs/dbraw/zinc/20/44/79/502204479.db2.gz GPOSAVJAHIEHHP-UHFFFAOYSA-N 0 3 370.453 3.143 20 5 FGBDHN COC(=O)COc1ccc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000475569296 502214624 /nfs/dbraw/zinc/21/46/24/502214624.db2.gz WRYSSMZBRSMEOY-RYTJFDOTSA-N 0 3 374.437 3.157 20 5 FGBDHN Cc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000461936268 502244156 /nfs/dbraw/zinc/24/41/56/502244156.db2.gz MVIFZMQIBNCPRR-MRXNPFEDSA-N 0 3 359.401 3.221 20 5 FGBDHN COC(=O)COc1ccc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475711110 502260419 /nfs/dbraw/zinc/26/04/19/502260419.db2.gz AVNYIXOBKVZVBT-FVQBIDKESA-N 0 3 362.426 3.300 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000462163474 502329745 /nfs/dbraw/zinc/32/97/45/502329745.db2.gz KGVZGCBMBHGADL-KXBFYZLASA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000596208914 506311098 /nfs/dbraw/zinc/31/10/98/506311098.db2.gz KQFXUZCIKWLPSE-GOSISDBHSA-N 0 3 361.467 3.038 20 5 FGBDHN Cc1c(CNC(=O)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000480070545 502464142 /nfs/dbraw/zinc/46/41/42/502464142.db2.gz OLXNNOMIIMJFIK-UHFFFAOYSA-N 0 3 360.458 3.063 20 5 FGBDHN C[C@H](CN1CCN(c2ccccc2)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483722742 502474748 /nfs/dbraw/zinc/47/47/48/502474748.db2.gz IYUNCLOGMXYXRR-MSOLQXFVSA-N 0 3 368.481 3.456 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000487623346 502491821 /nfs/dbraw/zinc/49/18/21/502491821.db2.gz LHBXCLFOKQUYSL-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466215808 502506951 /nfs/dbraw/zinc/50/69/51/502506951.db2.gz HHSVGVFCCOGFPL-CHWSQXEVSA-N 0 3 368.865 3.310 20 5 FGBDHN CN(C)C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000483907504 502518101 /nfs/dbraw/zinc/51/81/01/502518101.db2.gz SGVVFYGUKFAYMX-MRXNPFEDSA-N 0 3 364.352 3.297 20 5 FGBDHN O=c1[n-]ccc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596236979 506323899 /nfs/dbraw/zinc/32/38/99/506323899.db2.gz UFNWDICKDAJBCC-MRXNPFEDSA-N 0 3 356.426 3.410 20 5 FGBDHN O=c1[n-]ccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596236979 506323906 /nfs/dbraw/zinc/32/39/06/506323906.db2.gz UFNWDICKDAJBCC-MRXNPFEDSA-N 0 3 356.426 3.410 20 5 FGBDHN Cc1cc(F)ccc1CN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000488040643 502609300 /nfs/dbraw/zinc/60/93/00/502609300.db2.gz LGEZTZWRBCYVQU-UHFFFAOYSA-N 0 3 373.384 3.472 20 5 FGBDHN CC1CCN(c2ccc(C(=O)NC3(CN(C)C)CCC3)cc2[N+](=O)[O-])CC1 ZINC000466589930 502617294 /nfs/dbraw/zinc/61/72/94/502617294.db2.gz SSECCMOVKQHVNK-UHFFFAOYSA-N 0 3 374.485 3.045 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])cc1Cl ZINC000470048545 502640171 /nfs/dbraw/zinc/64/01/71/502640171.db2.gz UNGYNWMXURMQCY-UHFFFAOYSA-N 0 3 352.797 3.351 20 5 FGBDHN COc1cccc([C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])N(C)C)c1 ZINC000582616058 506327365 /nfs/dbraw/zinc/32/73/65/506327365.db2.gz JKXHBPLHSRNQTD-UYAOXDASSA-N 0 3 355.438 3.483 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127760 502669680 /nfs/dbraw/zinc/66/96/80/502669680.db2.gz FDWFVLDHIULABT-UHFFFAOYSA-N 0 3 366.418 3.391 20 5 FGBDHN O=C(CCN1CCC[C@H](c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000602852124 506327397 /nfs/dbraw/zinc/32/73/97/506327397.db2.gz CMMLFHYCHPDGDF-INIZCTEOSA-N 0 3 354.410 3.198 20 5 FGBDHN COc1ccc([C@H](C)N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484562868 502670273 /nfs/dbraw/zinc/67/02/73/502670273.db2.gz BMFXLELELIMJJV-YOEHRIQHSA-N 0 3 360.410 3.036 20 5 FGBDHN COC(=O)[C@](C)(CNC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000470145997 502677866 /nfs/dbraw/zinc/67/78/66/502677866.db2.gz CKTVMHQOPPDOAU-CIGMURNLSA-N 0 3 354.406 3.329 20 5 FGBDHN CC1CCC(N2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000470146561 502678062 /nfs/dbraw/zinc/67/80/62/502678062.db2.gz JVFVABNMEMVOSR-UHFFFAOYSA-N 0 3 364.421 3.462 20 5 FGBDHN Cc1cc(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000473766567 502702219 /nfs/dbraw/zinc/70/22/19/502702219.db2.gz RURAOLDHMXIPOD-QGZVFWFLSA-N 0 3 356.426 3.198 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000588765020 506330658 /nfs/dbraw/zinc/33/06/58/506330658.db2.gz SGKNPEDLCSBIRN-JSGCOSHPSA-N 0 3 361.398 3.056 20 5 FGBDHN CC(C)N1CCCC[C@H]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000596255474 506330434 /nfs/dbraw/zinc/33/04/34/506330434.db2.gz YJIGXZOPJFVGGR-KRWDZBQOSA-N 0 3 356.426 3.081 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@@H](C)C(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000599514533 506481824 /nfs/dbraw/zinc/48/18/24/506481824.db2.gz XRDYQVBEFSPXFJ-VXGBXAGGSA-N 0 3 355.385 3.455 20 5 FGBDHN CCCN(CCN1CCCCC1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000513161112 502866661 /nfs/dbraw/zinc/86/66/61/502866661.db2.gz RXXCDGIFCGGQJM-UHFFFAOYSA-N 0 3 362.474 3.040 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000513256388 502890538 /nfs/dbraw/zinc/89/05/38/502890538.db2.gz RTLSCPHTMIWOFZ-SFHVURJKSA-N 0 3 353.422 3.298 20 5 FGBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000500957398 502899306 /nfs/dbraw/zinc/89/93/06/502899306.db2.gz KVUWGTIJBVYQNG-UHFFFAOYSA-N 0 3 363.439 3.134 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CC)CC1 ZINC000505728595 502974184 /nfs/dbraw/zinc/97/41/84/502974184.db2.gz CRLGLPCAFDJJOH-UHFFFAOYSA-N 0 3 351.472 3.311 20 5 FGBDHN CCCN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000513595802 502974766 /nfs/dbraw/zinc/97/47/66/502974766.db2.gz SLGSEZSIAIJNQW-INIZCTEOSA-N 0 3 364.833 3.389 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000513716105 503007833 /nfs/dbraw/zinc/00/78/33/503007833.db2.gz XIJKDEOUAJKDFZ-RYUDHWBXSA-N 0 3 371.384 3.189 20 5 FGBDHN C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000509963629 503019253 /nfs/dbraw/zinc/01/92/53/503019253.db2.gz MVFDQIGPPVKJST-AWEZNQCLSA-N 0 3 372.425 3.418 20 5 FGBDHN COC(=O)c1ccc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000513825129 503031566 /nfs/dbraw/zinc/03/15/66/503031566.db2.gz WLEPXLJBJFWIPB-BBRMVZONSA-N 0 3 358.394 3.475 20 5 FGBDHN COc1cccc(C2(NCCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000510078999 503044549 /nfs/dbraw/zinc/04/45/49/503044549.db2.gz NNWATZVDBHHMRV-UHFFFAOYSA-N 0 3 358.394 3.270 20 5 FGBDHN O=C(CCN1CCC[C@@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490054613 503100262 /nfs/dbraw/zinc/10/02/62/503100262.db2.gz NIXGYGMRMILYOO-GOSISDBHSA-N 0 3 368.437 3.500 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501955236 503115489 /nfs/dbraw/zinc/11/54/89/503115489.db2.gz KSTNDTYKGVJGPB-GDBMZVCRSA-N 0 3 356.426 3.221 20 5 FGBDHN C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000498398595 503178431 /nfs/dbraw/zinc/17/84/31/503178431.db2.gz UTPCWAIMNUQMCH-KXBFYZLASA-N 0 3 370.453 3.128 20 5 FGBDHN CCN(CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000502347956 503184717 /nfs/dbraw/zinc/18/47/17/503184717.db2.gz XKHUBWUIUCKWMR-UHFFFAOYSA-N 0 3 368.817 3.339 20 5 FGBDHN C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000490528862 503189885 /nfs/dbraw/zinc/18/98/85/503189885.db2.gz UBMAULHENWBBJF-HXUWFJFHSA-N 0 3 353.422 3.379 20 5 FGBDHN Cc1ccccc1[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507163901 503241975 /nfs/dbraw/zinc/24/19/75/503241975.db2.gz HNYSICKJEZCYGP-SJLPKXTDSA-N 0 3 356.422 3.132 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCc2ccccc2C1 ZINC000498916448 503293311 /nfs/dbraw/zinc/29/33/11/503293311.db2.gz RBOVHNPHVUJEDI-UHFFFAOYSA-N 0 3 367.405 3.341 20 5 FGBDHN CCc1cc(N[C@H](C)C2=CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511376051 503309623 /nfs/dbraw/zinc/30/96/23/503309623.db2.gz FTSJRZWPCMZPSV-CQSZACIVSA-N 0 3 367.453 3.098 20 5 FGBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000502965418 503315734 /nfs/dbraw/zinc/31/57/34/503315734.db2.gz OMRMOKYXUPUUIR-OAHLLOKOSA-N 0 3 364.405 3.080 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000499143047 503343215 /nfs/dbraw/zinc/34/32/15/503343215.db2.gz VYYCURJWPYVOPV-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000515531333 503359385 /nfs/dbraw/zinc/35/93/85/503359385.db2.gz RTWVTHOCSNMTIV-KRWDZBQOSA-N 0 3 352.394 3.109 20 5 FGBDHN O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593069040 506372489 /nfs/dbraw/zinc/37/24/89/506372489.db2.gz RCDZPEHYBDBXFK-PWSUYJOCSA-N 0 3 358.316 3.232 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516271699 503486853 /nfs/dbraw/zinc/48/68/53/503486853.db2.gz XMMGITHPMDUJEN-NEPJUHHUSA-N 0 3 354.838 3.490 20 5 FGBDHN Cn1cc([C@@H](NCCc2cccc([N+](=O)[O-])c2)c2cccc(F)c2)cn1 ZINC000494988720 503645955 /nfs/dbraw/zinc/64/59/55/503645955.db2.gz PWCVZQOPZLOQIN-IBGZPJMESA-N 0 3 354.385 3.389 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000517195991 503668616 /nfs/dbraw/zinc/66/86/16/503668616.db2.gz XHRTXNLNSKBPTI-QFBILLFUSA-N 0 3 367.449 3.225 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000543207018 503680057 /nfs/dbraw/zinc/68/00/57/503680057.db2.gz IFACELQCOANIPQ-SFHVURJKSA-N 0 3 374.412 3.181 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000540154714 503691867 /nfs/dbraw/zinc/69/18/67/503691867.db2.gz ZBPKJHAVYLYVKW-FFZOFVMBSA-N 0 3 369.465 3.189 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000536826580 503733484 /nfs/dbraw/zinc/73/34/84/503733484.db2.gz KYXHMLUUSXZGLZ-LPHOPBHVSA-N 0 3 367.449 3.307 20 5 FGBDHN COc1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1OC1CCCC1 ZINC000540352477 503747154 /nfs/dbraw/zinc/74/71/54/503747154.db2.gz NVKGDHUAIHGWFV-CQSZACIVSA-N 0 3 374.441 3.472 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000546614699 503808710 /nfs/dbraw/zinc/80/87/10/503808710.db2.gz BTMOYPWPZSOUCF-KRWDZBQOSA-N 0 3 361.486 3.496 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(C2CCCCC2)CC1 ZINC000543641163 503838512 /nfs/dbraw/zinc/83/85/12/503838512.db2.gz CRJXDHRBTUDRMF-UHFFFAOYSA-N 0 3 350.394 3.216 20 5 FGBDHN CN(C)CCOc1ccccc1-c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000547105781 503984962 /nfs/dbraw/zinc/98/49/62/503984962.db2.gz JJSYVOBUBRNDDL-UHFFFAOYSA-N 0 3 372.356 3.391 20 5 FGBDHN C[C@]1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000544119773 504015487 /nfs/dbraw/zinc/01/54/87/504015487.db2.gz IGNNQFMSWCXFCF-UZLBHIALSA-N 0 3 356.422 3.176 20 5 FGBDHN C[C@@H](C[S@@](C)=O)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000544168540 504032555 /nfs/dbraw/zinc/03/25/55/504032555.db2.gz ZQOGICXRJUQEFZ-HWRSSNJWSA-N 0 3 361.467 3.219 20 5 FGBDHN Cc1c([C@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000537991340 504104864 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HCKXAGIIKQJOPV-GXTWGEPZSA-N 0 3 361.398 3.056 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC000610514950 507273566 /nfs/dbraw/zinc/27/35/66/507273566.db2.gz SQSXAXALQSOLEP-UHFFFAOYSA-N 0 3 360.483 3.406 20 5 FGBDHN CN1CCC(n2cc(Nc3ccc4ncccc4c3[N+](=O)[O-])cn2)CC1 ZINC000601225274 507301952 /nfs/dbraw/zinc/30/19/52/507301952.db2.gz DZTHFCYQMWFLMR-UHFFFAOYSA-N 0 3 352.398 3.350 20 5 FGBDHN COc1cc(Nc2cnn(C3CCN(C)CC3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000601226241 507304381 /nfs/dbraw/zinc/30/43/81/507304381.db2.gz MWMODZJFNNFQRY-UHFFFAOYSA-N 0 3 365.821 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@H](O)C3)o2)c(Br)c1 ZINC000595001310 507348845 /nfs/dbraw/zinc/34/88/45/507348845.db2.gz UOSWNHYLOHQYNO-HOMQSWHASA-N 0 3 367.199 3.230 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(Cc2ccccn2)CC1 ZINC000595013668 507354496 /nfs/dbraw/zinc/35/44/96/507354496.db2.gz RAAFANLDXOMDRW-OAHLLOKOSA-N 0 3 370.453 3.314 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000595021797 507358653 /nfs/dbraw/zinc/35/86/53/507358653.db2.gz GCBWRTZJPOTNCI-GDZNZVCISA-N 0 3 352.456 3.309 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000595259161 507442462 /nfs/dbraw/zinc/44/24/62/507442462.db2.gz YKTZRXLSNKNNHU-QGZVFWFLSA-N 0 3 373.434 3.230 20 5 FGBDHN CCn1nccc1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132265 507498910 /nfs/dbraw/zinc/49/89/10/507498910.db2.gz FWWVSQYUXJVTCZ-UAPYVXQJSA-N 0 3 372.469 3.159 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@H]3CCCOC3)o2)cc1 ZINC000592134269 507499068 /nfs/dbraw/zinc/49/90/68/507499068.db2.gz OZWOSQPPXKZJOB-GOEBONIOSA-N 0 3 358.398 3.036 20 5 FGBDHN CCN1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536581 507549020 /nfs/dbraw/zinc/54/90/20/507549020.db2.gz ZWLCXNLDHLGWAW-GFCCVEGCSA-N 0 3 373.400 3.121 20 5 FGBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611211265 507563219 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FGBDHN CN(C1CCCC1)C(C)(C)C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000754872167 722947343 /nfs/dbraw/zinc/94/73/43/722947343.db2.gz PUVMHJVTDWJPHX-UHFFFAOYSA-N 0 3 350.415 3.170 20 5 FGBDHN CN(C)CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000758848088 722995810 /nfs/dbraw/zinc/99/58/10/722995810.db2.gz YCJGSLMLBASMCE-UHFFFAOYSA-N 0 3 368.865 3.264 20 5 FGBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000792880906 723376823 /nfs/dbraw/zinc/37/68/23/723376823.db2.gz JJSCQHRGWQKGKF-HFBAOOFYSA-N 0 3 351.403 3.432 20 5 FGBDHN CCN1C[C@H](C)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769467004 723686466 /nfs/dbraw/zinc/68/64/66/723686466.db2.gz QGIYVYDWXZCIGT-NEPJUHHUSA-N 0 3 356.264 3.272 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775868037 724075086 /nfs/dbraw/zinc/07/50/86/724075086.db2.gz CAIROSBVMLQNPJ-ZBFHGGJFSA-N 0 3 369.849 3.370 20 5 FGBDHN CCOC(=O)N1CCC([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000778197349 724309767 /nfs/dbraw/zinc/30/97/67/724309767.db2.gz GYBHCQZPFHDLNV-GFCCVEGCSA-N 0 3 353.394 3.081 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810484126 725310288 /nfs/dbraw/zinc/31/02/88/725310288.db2.gz ODVCOKAFNVQGHP-UGSOOPFHSA-N 0 3 351.422 3.293 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCc1nnc2ccccn21 ZINC000811473044 725367929 /nfs/dbraw/zinc/36/79/29/725367929.db2.gz URYUYPBWHPWUPH-UHFFFAOYSA-N 0 3 366.208 3.277 20 5 FGBDHN CC(COC(=O)c1ccc(-c2ccccc2Br)n1C)[N+](=O)[O-] ZINC000813107744 726839730 /nfs/dbraw/zinc/83/97/30/726839730.db2.gz VOFIFQHAAVCCBT-SNVBAGLBSA-N 0 3 367.199 3.277 20 5 FGBDHN CC(COC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)[N+](=O)[O-] ZINC000816091748 727123934 /nfs/dbraw/zinc/12/39/34/727123934.db2.gz HIOXNUMMRQBHQJ-JTQLQIEISA-N 0 3 352.387 3.435 20 5 FGBDHN CCOc1cc(Cl)ccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819185787 727356094 /nfs/dbraw/zinc/35/60/94/727356094.db2.gz LVBJBILMWRROSB-INIZCTEOSA-N 0 3 350.802 3.470 20 5 FGBDHN CCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000821400696 729083236 /nfs/dbraw/zinc/08/32/36/729083236.db2.gz GTXPWGNNOOJHIP-UHFFFAOYSA-N 0 3 353.850 3.124 20 5 FGBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000832570052 729721387 /nfs/dbraw/zinc/72/13/87/729721387.db2.gz KAOVRKDYKLWSFP-WDBKCZKBSA-N 0 3 355.822 3.122 20 5 FGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC000845577859 730867560 /nfs/dbraw/zinc/86/75/60/730867560.db2.gz YZMYVTSXISNMRF-JTQLQIEISA-N 0 3 357.288 3.022 20 5 FGBDHN CC([C@H](OC(=O)/C=C/C1(C)CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876374 730905385 /nfs/dbraw/zinc/90/53/85/730905385.db2.gz CSNPNQKWWFNJCJ-CIGRPSKPSA-N 0 3 351.374 3.448 20 5 FGBDHN CC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000847081416 731017960 /nfs/dbraw/zinc/01/79/60/731017960.db2.gz UQHOXIJYCKUKTL-DZGCQCFKSA-N 0 3 355.822 3.124 20 5 FGBDHN CCC[C@H](NCC[S@@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491814 731363130 /nfs/dbraw/zinc/36/31/30/731363130.db2.gz QWHUNNIKESPVRE-ZAMGYDSWSA-N 0 3 352.378 3.337 20 5 FGBDHN CCn1ncc(Cl)c1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000857036830 732093220 /nfs/dbraw/zinc/09/32/20/732093220.db2.gz SGVIKSCPYGXYJB-XPTSAGLGSA-N 0 3 355.753 3.259 20 5 FGBDHN Cc1nc2sccn2c1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855002 732584534 /nfs/dbraw/zinc/58/45/34/732584534.db2.gz OUDLIJKSUSGUTD-YGRLFVJLSA-N 0 3 363.370 3.407 20 5 FGBDHN CC(C)(C)OC(=O)N[C@@H](CNCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000865419386 733195924 /nfs/dbraw/zinc/19/59/24/733195924.db2.gz RNASGCNZPZWSCG-GFCCVEGCSA-N 0 3 359.373 3.233 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)Nc1ccccn1 ZINC000872027148 735578560 /nfs/dbraw/zinc/57/85/60/735578560.db2.gz HWVJIYMJQQARDM-LBPRGKRZSA-N 0 3 360.439 3.391 20 5 FGBDHN COC1CCN(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872040602 735580751 /nfs/dbraw/zinc/58/07/51/735580751.db2.gz ASAPCYPTTJDYJG-ZDUSSCGKSA-N 0 3 353.488 3.078 20 5 FGBDHN COc1c(O)ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405880 742407333 /nfs/dbraw/zinc/40/73/33/742407333.db2.gz QMERNCHPIISXSY-CJNGLKHVSA-N 0 3 350.415 3.090 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCC2(CCOCC2)CO1 ZINC000895997717 742478982 /nfs/dbraw/zinc/47/89/82/742478982.db2.gz LZSNBKHKTFOUSH-HNNXBMFYSA-N 0 3 354.834 3.314 20 5 FGBDHN CC(C)(C)[C@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595879 743134038 /nfs/dbraw/zinc/13/40/38/743134038.db2.gz SZGXMZNQJHKLRB-CYBMUJFWSA-N 0 3 368.235 3.043 20 5 FGBDHN Cc1ccc([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000921268153 758678343 /nfs/dbraw/zinc/67/83/43/758678343.db2.gz GIISNGQMVVZWPE-KRWDZBQOSA-N 0 3 358.467 3.493 20 5 FGBDHN C[C@H](Cc1ccccn1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000926849382 759831009 /nfs/dbraw/zinc/83/10/09/759831009.db2.gz KHOYVHJMSPWQLT-LLVKDONJSA-N 0 3 350.216 3.473 20 5 FGBDHN CCOC(=O)C1([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000933882475 761489281 /nfs/dbraw/zinc/48/92/81/761489281.db2.gz KJDUOPKSHJITRF-GFCCVEGCSA-N 0 3 370.833 3.086 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)c1 ZINC000302117779 257384218 /nfs/dbraw/zinc/38/42/18/257384218.db2.gz WSVOBUCARRUQGR-UHFFFAOYSA-N 0 3 369.421 3.094 20 5 FGBDHN Cc1cc(NCCNC(=O)c2ccccc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000302143978 257385378 /nfs/dbraw/zinc/38/53/78/257385378.db2.gz GDBPDUCZHLCCOR-UHFFFAOYSA-N 0 3 368.368 3.432 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccnc1)C1CC1 ZINC000540150144 503690252 /nfs/dbraw/zinc/69/02/52/503690252.db2.gz BYJLDJGLDSUUCH-BFUOFWGJSA-N 0 3 354.410 3.448 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068256720 493786301 /nfs/dbraw/zinc/78/63/01/493786301.db2.gz XZTIRWZGPCKAFJ-KRWDZBQOSA-N 0 3 371.412 3.262 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCCC[C@@H]1C ZINC000068353285 493802744 /nfs/dbraw/zinc/80/27/44/493802744.db2.gz JQBXOZPBAODRKS-QWHCGFSZSA-N 0 3 369.849 3.006 20 5 FGBDHN Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000029177425 493823169 /nfs/dbraw/zinc/82/31/69/493823169.db2.gz CQEFNMNHVRNDLP-SFHVURJKSA-N 0 3 353.422 3.470 20 5 FGBDHN Cc1c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000029177498 493823663 /nfs/dbraw/zinc/82/36/63/493823663.db2.gz UKHBLYGLSBCHNR-SFHVURJKSA-N 0 3 353.422 3.470 20 5 FGBDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000030148433 493877665 /nfs/dbraw/zinc/87/76/65/493877665.db2.gz XSNOVGJRBYXEDV-SNVBAGLBSA-N 0 3 358.236 3.272 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)c2ccccc2C1 ZINC000069090990 493919747 /nfs/dbraw/zinc/91/97/47/493919747.db2.gz CSTQJLCENRYARD-UHFFFAOYSA-N 0 3 368.437 3.184 20 5 FGBDHN O=C(CCN1CC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000060369956 493927807 /nfs/dbraw/zinc/92/78/07/493927807.db2.gz CPUCLWXEEBXUCP-MRXNPFEDSA-N 0 3 354.410 3.110 20 5 FGBDHN Cc1c(CN2CCC(C(=O)NCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051454032 493971814 /nfs/dbraw/zinc/97/18/14/493971814.db2.gz ZKGVUGBJDWRAAX-UHFFFAOYSA-N 0 3 367.449 3.432 20 5 FGBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000061289687 493973388 /nfs/dbraw/zinc/97/33/88/493973388.db2.gz LDGGSCBXEUFQEU-UHFFFAOYSA-N 0 3 371.462 3.438 20 5 FGBDHN C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000052160066 494006660 /nfs/dbraw/zinc/00/66/60/494006660.db2.gz JPRJQOQREZJKLK-KGLIPLIRSA-N 0 3 360.458 3.019 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1 ZINC000007850109 494047620 /nfs/dbraw/zinc/04/76/20/494047620.db2.gz OZCGZSJRYGYNFQ-UHFFFAOYSA-N 0 3 367.449 3.440 20 5 FGBDHN CC(C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000077356717 494066649 /nfs/dbraw/zinc/06/66/49/494066649.db2.gz DDLIVIDIVKDXRP-UHFFFAOYSA-N 0 3 355.822 3.076 20 5 FGBDHN CC(C)CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCN(C)CC1 ZINC000053233026 494108243 /nfs/dbraw/zinc/10/82/43/494108243.db2.gz LAHUYWQOJDWFJY-UHFFFAOYSA-N 0 3 358.442 3.269 20 5 FGBDHN 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ZINC000406047643 499572024 /nfs/dbraw/zinc/57/20/24/499572024.db2.gz WNZRLYOVPVVRKT-FQEVSTJZSA-N 0 3 355.438 3.358 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411519546 499750695 /nfs/dbraw/zinc/75/06/95/499750695.db2.gz SLAILUBSCVBAJI-MRXNPFEDSA-N 0 3 361.442 3.082 20 5 FGBDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411634622 499771308 /nfs/dbraw/zinc/77/13/08/499771308.db2.gz ADRQFXYQNXUMCV-IBGZPJMESA-N 0 3 371.437 3.273 20 5 FGBDHN CC1(C)C[C@@H](NCC2(CS(C)(=O)=O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000414329679 499778154 /nfs/dbraw/zinc/77/81/54/499778154.db2.gz PGPHKSXSHXSIQR-MRXNPFEDSA-N 0 3 366.483 3.122 20 5 FGBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1occc1C ZINC000412023352 499813786 /nfs/dbraw/zinc/81/37/86/499813786.db2.gz CGXSHZLYLUOCDR-UHFFFAOYSA-N 0 3 361.398 3.356 20 5 FGBDHN COc1cc(CN[C@H](C)C2(OC)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000412027490 499814121 /nfs/dbraw/zinc/81/41/21/499814121.db2.gz VMRCGCHMYZWQPG-LLVKDONJSA-N 0 3 374.384 3.295 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415660152 499910460 /nfs/dbraw/zinc/91/04/60/499910460.db2.gz PCIGMOWOUCLIML-KRWDZBQOSA-N 0 3 370.409 3.002 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415660154 499910595 /nfs/dbraw/zinc/91/05/95/499910595.db2.gz PCIGMOWOUCLIML-QGZVFWFLSA-N 0 3 370.409 3.002 20 5 FGBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)N(C)C ZINC000413431930 499955775 /nfs/dbraw/zinc/95/57/75/499955775.db2.gz BKJUSWADQPOELC-HNNXBMFYSA-N 0 3 351.447 3.088 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc3c(s2)CCCC3)c1 ZINC000573305804 506167326 /nfs/dbraw/zinc/16/73/26/506167326.db2.gz YUGVTJOAFWXVOM-OAHLLOKOSA-N 0 3 362.451 3.065 20 5 FGBDHN O=C(CCN1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000416204642 499981168 /nfs/dbraw/zinc/98/11/68/499981168.db2.gz PNNAXBVWUQEKCN-UHFFFAOYSA-N 0 3 373.840 3.313 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417143185 499986355 /nfs/dbraw/zinc/98/63/55/499986355.db2.gz UNZBQWYIDBOWDJ-UGSOOPFHSA-N 0 3 356.426 3.217 20 5 FGBDHN CN(C)[C@@H](CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000416239861 499992159 /nfs/dbraw/zinc/99/21/59/499992159.db2.gz IMDZXKSBZNIBJB-IBGZPJMESA-N 0 3 355.438 3.289 20 5 FGBDHN COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000417185364 499998074 /nfs/dbraw/zinc/99/80/74/499998074.db2.gz RDRCYOGODBACGF-UHFFFAOYSA-N 0 3 374.397 3.188 20 5 FGBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429155859 500015225 /nfs/dbraw/zinc/01/52/25/500015225.db2.gz CUVUUOHIFDKSNP-AWEZNQCLSA-N 0 3 355.394 3.207 20 5 FGBDHN CS(=O)(=O)C1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000417336646 500043416 /nfs/dbraw/zinc/04/34/16/500043416.db2.gz VYCHLGSUIYUHNP-QGZVFWFLSA-N 0 3 366.483 3.309 20 5 FGBDHN N[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000418444024 500277035 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FGBDHN COc1ccc([C@H](Cc2ccccc2)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000579532211 506196401 /nfs/dbraw/zinc/19/64/01/506196401.db2.gz QOOUUGHBWVQLCX-FQEVSTJZSA-N 0 3 366.421 3.374 20 5 FGBDHN COC(=O)[C@]1(c2ccccc2)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810340 500560420 /nfs/dbraw/zinc/56/04/20/500560420.db2.gz XSEZMRSVJIEZBH-MGPUTAFESA-N 0 3 354.406 3.473 20 5 FGBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCO1 ZINC000432874770 500582575 /nfs/dbraw/zinc/58/25/75/500582575.db2.gz CBUSYFSDCOFRGU-LBPRGKRZSA-N 0 3 359.373 3.109 20 5 FGBDHN COc1cnccc1[C@@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437098419 500602135 /nfs/dbraw/zinc/60/21/35/500602135.db2.gz RQUBIRSBHHAIOE-CHWSQXEVSA-N 0 3 358.398 3.066 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433055034 500614472 /nfs/dbraw/zinc/61/44/72/500614472.db2.gz XCCBXHMUTCTTIQ-ZWKOTPCHSA-N 0 3 356.422 3.214 20 5 FGBDHN Cc1cccc(C(=O)NCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447533710 500618586 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FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434359558 500831939 /nfs/dbraw/zinc/83/19/39/500831939.db2.gz WPDLWFWVSNEKMV-CYBMUJFWSA-N 0 3 352.822 3.387 20 5 FGBDHN CC(C)c1ccc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000438946316 500838783 /nfs/dbraw/zinc/83/87/83/500838783.db2.gz JMMWGEDOPKJXEC-UHFFFAOYSA-N 0 3 372.425 3.306 20 5 FGBDHN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000448932507 500873102 /nfs/dbraw/zinc/87/31/02/500873102.db2.gz JKMWIGVFZROISZ-ZDUSSCGKSA-N 0 3 371.359 3.314 20 5 FGBDHN O=C(NCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000602573839 506222205 /nfs/dbraw/zinc/22/22/05/506222205.db2.gz VNWKEUVVBIAIBZ-UHFFFAOYSA-N 0 3 359.348 3.010 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(F)(c3cccc(Cl)c3)CC2)n1 ZINC000439333980 500886840 /nfs/dbraw/zinc/88/68/40/500886840.db2.gz VCOLGJSLZROIPV-UHFFFAOYSA-N 0 3 352.797 3.406 20 5 FGBDHN COC(=O)C1CCN(CCCNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000444826417 500908019 /nfs/dbraw/zinc/90/80/19/500908019.db2.gz HIPNIJVQGGEKFA-UHFFFAOYSA-N 0 3 369.849 3.244 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCN(C)CC2)c1 ZINC000449042247 500909412 /nfs/dbraw/zinc/90/94/12/500909412.db2.gz QPFOIOPJTVGICJ-QGZVFWFLSA-N 0 3 368.481 3.385 20 5 FGBDHN COc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000449089605 500922509 /nfs/dbraw/zinc/92/25/09/500922509.db2.gz KURGCCGSDUCPTC-CYBMUJFWSA-N 0 3 360.410 3.341 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000449206242 500947442 /nfs/dbraw/zinc/94/74/42/500947442.db2.gz AHZKQRHRFKENFO-RHSMWYFYSA-N 0 3 371.412 3.450 20 5 FGBDHN CCOc1ccc(NC(=O)CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449220700 500950957 /nfs/dbraw/zinc/95/09/57/500950957.db2.gz QVQIZQKYVBBKMN-AWEZNQCLSA-N 0 3 357.410 3.153 20 5 FGBDHN COc1cccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499293 500985968 /nfs/dbraw/zinc/98/59/68/500985968.db2.gz FFFDTKPVPGKLOO-HOCLYGCPSA-N 0 3 369.421 3.169 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449359437 500986054 /nfs/dbraw/zinc/98/60/54/500986054.db2.gz QCHHPANLJNIRFF-IHWMJMDHSA-N 0 3 372.446 3.159 20 5 FGBDHN Cc1ccc(C)c(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440484417 501013969 /nfs/dbraw/zinc/01/39/69/501013969.db2.gz HWYCZRAMWGFNNP-MRXNPFEDSA-N 0 3 356.426 3.172 20 5 FGBDHN CNC(=O)c1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449497679 501018688 /nfs/dbraw/zinc/01/86/88/501018688.db2.gz JBPBSNOIVLPTLJ-SFHVURJKSA-N 0 3 353.422 3.334 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000449508123 501020849 /nfs/dbraw/zinc/02/08/49/501020849.db2.gz MVFUNYZNMXMVKJ-HOCLYGCPSA-N 0 3 356.369 3.083 20 5 FGBDHN NC(=O)c1cc(NC[C@H](c2cccs2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596055775 506231094 /nfs/dbraw/zinc/23/10/94/506231094.db2.gz YDHCOWNLIIFZTC-OAHLLOKOSA-N 0 3 360.439 3.004 20 5 FGBDHN COc1cc2c(cc1OC)[C@H](N1CCC(n3ccc([N+](=O)[O-])n3)CC1)CC2 ZINC000602635872 506239178 /nfs/dbraw/zinc/23/91/78/506239178.db2.gz COTFLDKNMZESOQ-MRXNPFEDSA-N 0 3 372.425 3.133 20 5 FGBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccsc1 ZINC000596073643 506241904 /nfs/dbraw/zinc/24/19/04/506241904.db2.gz KRGIPUXGURRPES-INIZCTEOSA-N 0 3 362.455 3.250 20 5 FGBDHN Cc1cc2ncn(C[C@H](O)CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000451103577 501246046 /nfs/dbraw/zinc/24/60/46/501246046.db2.gz HYNXJCMKUSRNCB-MAUKXSAKSA-N 0 3 368.437 3.273 20 5 FGBDHN CCC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000451424236 501290445 /nfs/dbraw/zinc/29/04/45/501290445.db2.gz SILIRTXFSDUVTN-OAHLLOKOSA-N 0 3 351.403 3.066 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272458 501304573 /nfs/dbraw/zinc/30/45/73/501304573.db2.gz UYCFTQOKKDOZEC-LEWJYISDSA-N 0 3 369.465 3.121 20 5 FGBDHN CC(C)O[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451508353 501309352 /nfs/dbraw/zinc/30/93/52/501309352.db2.gz WJBUFXVZQAYNEI-HUUCEWRRSA-N 0 3 369.849 3.368 20 5 FGBDHN COc1cc(CNC(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000452090353 501432615 /nfs/dbraw/zinc/43/26/15/501432615.db2.gz RIEVHOFLVZPKSE-UHFFFAOYSA-N 0 3 373.400 3.169 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000458523359 501465839 /nfs/dbraw/zinc/46/58/39/501465839.db2.gz WBJACDANDBQQHD-HIFRSBDPSA-N 0 3 360.458 3.090 20 5 FGBDHN C[C@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458887546 501552785 /nfs/dbraw/zinc/55/27/85/501552785.db2.gz JQBWURPIRIFKMO-YJBOKZPZSA-N 0 3 360.458 3.316 20 5 FGBDHN CC(C)(CN1CCCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457048557 501640491 /nfs/dbraw/zinc/64/04/91/501640491.db2.gz JPLYGGBNWBDJCZ-UHFFFAOYSA-N 0 3 371.890 3.331 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459702390 501701323 /nfs/dbraw/zinc/70/13/23/501701323.db2.gz ORUGGBQIMNOXPU-XNJJOIOASA-N 0 3 362.451 3.450 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCCCC3)[C@@H]2c2ccccc2)c1 ZINC000459760214 501709857 /nfs/dbraw/zinc/70/98/57/501709857.db2.gz WPYFPYFTZYOBEG-OALUTQOASA-N 0 3 370.453 3.160 20 5 FGBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474217037 501748148 /nfs/dbraw/zinc/74/81/48/501748148.db2.gz YKOBASHOBVRAPL-IBGZPJMESA-N 0 3 355.438 3.180 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999095 506271241 /nfs/dbraw/zinc/27/12/41/506271241.db2.gz DWLVBBKNQZFADQ-WMLDXEAASA-N 0 3 360.458 3.280 20 5 FGBDHN COC[C@H]1CCCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467311266 501767754 /nfs/dbraw/zinc/76/77/54/501767754.db2.gz OOTUMMFROWPHGQ-LBPRGKRZSA-N 0 3 374.384 3.453 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H]2CCc3cc(C)ccc32)cc1[N+](=O)[O-] ZINC000474357502 501804038 /nfs/dbraw/zinc/80/40/38/501804038.db2.gz UKSCVLMHEWXING-KRWDZBQOSA-N 0 3 370.405 3.232 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485803564 501943895 /nfs/dbraw/zinc/94/38/95/501943895.db2.gz ORXLOTBQTNJOOO-IUODEOHRSA-N 0 3 373.434 3.295 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000468172053 501979144 /nfs/dbraw/zinc/97/91/44/501979144.db2.gz ZSDQMGPDXNGFTK-FOIQADDNSA-N 0 3 355.438 3.253 20 5 FGBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000485998793 502015090 /nfs/dbraw/zinc/01/50/90/502015090.db2.gz ZNMAMYCHPMNKCZ-LBPRGKRZSA-N 0 3 373.375 3.303 20 5 FGBDHN O=[N+]([O-])c1cccc(Br)c1NC1CCN([C@H]2CCOC2)CC1 ZINC000596167314 506289670 /nfs/dbraw/zinc/28/96/70/506289670.db2.gz GTQOMNULWHHONA-LBPRGKRZSA-N 0 3 370.247 3.023 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](CCO)C3CCOCC3)o2)c1 ZINC000461413487 502103989 /nfs/dbraw/zinc/10/39/89/502103989.db2.gz NRVMQDFTGFVDDR-SFHVURJKSA-N 0 3 360.410 3.122 20 5 FGBDHN C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464856945 502124207 /nfs/dbraw/zinc/12/42/07/502124207.db2.gz NDBYFBSSDPPXPS-KYJSFNMBSA-N 0 3 360.410 3.401 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(CS(C)(=O)=O)cc1 ZINC000468623975 502129783 /nfs/dbraw/zinc/12/97/83/502129783.db2.gz YZRMVNFJKFSASA-XNTDXEJSSA-N 0 3 374.462 3.333 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC2CCC(C)CC2)CC1 ZINC000602777446 506295035 /nfs/dbraw/zinc/29/50/35/506295035.db2.gz WPGWXNAXYUCEJJ-UHFFFAOYSA-N 0 3 350.463 3.159 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](O)COc1ccc(F)cc1 ZINC000468629589 502130298 /nfs/dbraw/zinc/13/02/98/502130298.db2.gz FMYXZRFTLQSAGS-WAFIBAPDSA-N 0 3 360.385 3.167 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COc1cccc(C)c1 ZINC000468634710 502132538 /nfs/dbraw/zinc/13/25/38/502132538.db2.gz HIEATFKBTPZJPO-VPEZWSJASA-N 0 3 356.422 3.336 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000468643359 502134875 /nfs/dbraw/zinc/13/48/75/502134875.db2.gz PLIAYFKZOHSNSV-RVDMUPIBSA-N 0 3 369.421 3.113 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475614188 502228210 /nfs/dbraw/zinc/22/82/10/502228210.db2.gz FLNJSDWZJVOLHJ-OAHLLOKOSA-N 0 3 364.442 3.405 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000475718633 502263195 /nfs/dbraw/zinc/26/31/95/502263195.db2.gz YMSPDTOLBNEPIS-FQEVSTJZSA-N 0 3 374.437 3.469 20 5 FGBDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338997 502320930 /nfs/dbraw/zinc/32/09/30/502320930.db2.gz AWJQAWNPUTVBHE-HOCLYGCPSA-N 0 3 353.422 3.147 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000462169432 502332955 /nfs/dbraw/zinc/33/29/55/502332955.db2.gz ZXSUJMCDWMCVBR-YJBOKZPZSA-N 0 3 353.422 3.154 20 5 FGBDHN CS[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000599068110 506308389 /nfs/dbraw/zinc/30/83/89/506308389.db2.gz KSXULBYJHVRYNC-SJORKVTESA-N 0 3 358.467 3.159 20 5 FGBDHN CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000469331411 502377867 /nfs/dbraw/zinc/37/78/67/502377867.db2.gz QHTYYYCGTSQERA-MRXNPFEDSA-N 0 3 353.850 3.375 20 5 FGBDHN COc1cc(NCCCN2CCCO[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596210072 506310566 /nfs/dbraw/zinc/31/05/66/506310566.db2.gz XBHHBTYRPHBIJA-LBPRGKRZSA-N 0 3 357.838 3.170 20 5 FGBDHN COc1ccc(CNCCC(C)(C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000479877797 502406277 /nfs/dbraw/zinc/40/62/77/502406277.db2.gz XTQAZDSDLDRWSL-UHFFFAOYSA-N 0 3 374.437 3.433 20 5 FGBDHN CCOc1ccc([C@H](C)NCC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599081435 506315063 /nfs/dbraw/zinc/31/50/63/506315063.db2.gz KZNROKCJQMPZEX-AWEZNQCLSA-N 0 3 363.458 3.293 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc(N3CCN4CC[C@H]3C4)c([N+](=O)[O-])c2)cc1 ZINC000599083675 506316379 /nfs/dbraw/zinc/31/63/79/506316379.db2.gz ONOZWKWYRMVMNV-KRWDZBQOSA-N 0 3 366.421 3.050 20 5 FGBDHN COc1c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476514215 502510681 /nfs/dbraw/zinc/51/06/81/502510681.db2.gz XCZGRZKUMNCYKK-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN C[C@@H]1[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000466472690 502580039 /nfs/dbraw/zinc/58/00/39/502580039.db2.gz HGDJETIMNJDMCX-JGWVRAGVSA-N 0 3 365.433 3.387 20 5 FGBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146670 502677967 /nfs/dbraw/zinc/67/79/67/502677967.db2.gz KTKHGEUFRWAOHB-IAISJRAMSA-N 0 3 371.462 3.409 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(c2cccnn2)CC1 ZINC000470172791 502693769 /nfs/dbraw/zinc/69/37/69/502693769.db2.gz CFRZQPMAEXOPOY-SSZFMOIBSA-N 0 3 353.426 3.000 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CN2CCOCC2)CC1 ZINC000470174317 502694773 /nfs/dbraw/zinc/69/47/73/502694773.db2.gz JWQCWVVYURDGQC-LGMDPLHJSA-N 0 3 359.470 3.042 20 5 FGBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)C1 ZINC000488708992 502786710 /nfs/dbraw/zinc/78/67/10/502786710.db2.gz AOVNSHMDIYJJAQ-FQEVSTJZSA-N 0 3 368.437 3.101 20 5 FGBDHN O=c1[nH]cnc2cc(NC[C@@H]3CCN3C3CCCCC3)c([N+](=O)[O-])cc21 ZINC000599127955 506334415 /nfs/dbraw/zinc/33/44/15/506334415.db2.gz RVDORDOKSMRFLU-ZDUSSCGKSA-N 0 3 357.414 3.063 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000593034096 506349596 /nfs/dbraw/zinc/34/95/96/506349596.db2.gz HKGIEICSOQRFFW-KRWDZBQOSA-N 0 3 369.396 3.288 20 5 FGBDHN COc1ccc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000593041423 506354526 /nfs/dbraw/zinc/35/45/26/506354526.db2.gz OEEQTHXASPQUSB-UHFFFAOYSA-N 0 3 357.410 3.257 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000510528523 503134990 /nfs/dbraw/zinc/13/49/90/503134990.db2.gz XJPVJKMZSFYQKS-QRWLVFNGSA-N 0 3 371.437 3.090 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000510542112 503138698 /nfs/dbraw/zinc/13/86/98/503138698.db2.gz XHANWEMTCGHSSI-SCLBCKFNSA-N 0 3 359.401 3.464 20 5 FGBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510548021 503141474 /nfs/dbraw/zinc/14/14/74/503141474.db2.gz PRKPSUGVALDDQQ-SUMWQHHRSA-N 0 3 373.457 3.000 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490369733 503162945 /nfs/dbraw/zinc/16/29/45/503162945.db2.gz LVCIFQNNRYCYMI-INIZCTEOSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759451 503258316 /nfs/dbraw/zinc/25/83/16/503258316.db2.gz VUSJYFHSHPQOBK-COXVUDFISA-N 0 3 354.834 3.000 20 5 FGBDHN CCN1C[C@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498916123 503292105 /nfs/dbraw/zinc/29/21/05/503292105.db2.gz PTOUBTZELVDIRR-RYUDHWBXSA-N 0 3 373.400 3.119 20 5 FGBDHN O=[N+]([O-])c1ccc(CCCCNCc2cnnn2Cc2ccccc2)cc1 ZINC000491322628 503296938 /nfs/dbraw/zinc/29/69/38/503296938.db2.gz LRVMQICGHBUYRP-UHFFFAOYSA-N 0 3 365.437 3.347 20 5 FGBDHN CC(C)CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000515235222 503298421 /nfs/dbraw/zinc/29/84/21/503298421.db2.gz WHTHGLZJBZLFRV-UHFFFAOYSA-N 0 3 354.472 3.175 20 5 FGBDHN COc1ccccc1-c1ncc(CNCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000491358834 503300824 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CCCCn1cc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000538117141 504135371 /nfs/dbraw/zinc/13/53/71/504135371.db2.gz RUCCXRPHWUACHX-AWEZNQCLSA-N 0 3 373.457 3.407 20 5 FGBDHN CNC(=O)[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)Cc1ccc(F)cc1C ZINC000519154545 504153154 /nfs/dbraw/zinc/15/31/54/504153154.db2.gz UAHCRVWOJGPHNN-QGZVFWFLSA-N 0 3 373.428 3.045 20 5 FGBDHN CC1CCC(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000531024846 504165888 /nfs/dbraw/zinc/16/58/88/504165888.db2.gz YQYYOKSONOZGKS-UHFFFAOYSA-N 0 3 359.470 3.250 20 5 FGBDHN CCCC[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573153 504179129 /nfs/dbraw/zinc/17/91/29/504179129.db2.gz NLZHRAIGYDOFQZ-WMLDXEAASA-N 0 3 354.472 3.317 20 5 FGBDHN CC(C)[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000544574384 504179209 /nfs/dbraw/zinc/17/92/09/504179209.db2.gz SOBZNYKVWUQJRR-RKVPGOIHSA-N 0 3 368.499 3.419 20 5 FGBDHN COc1cc(CN[C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541649181 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/nfs/dbraw/zinc/54/66/29/505546629.db2.gz UPZBBSSLIZULDV-SFHVURJKSA-N 0 3 356.426 3.217 20 5 FGBDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552743567 505547635 /nfs/dbraw/zinc/54/76/35/505547635.db2.gz PIPBEZFEBWYMJR-VIFPVBQESA-N 0 3 358.236 3.463 20 5 FGBDHN CC[C@H]1c2ccccc2CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612077603 506422130 /nfs/dbraw/zinc/42/21/30/506422130.db2.gz ANZWDXZIJONKDD-AEFFLSMTSA-N 0 3 356.422 3.344 20 5 FGBDHN Cc1cc(OCc2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)ccc1[N+](=O)[O-] ZINC000589136774 506453265 /nfs/dbraw/zinc/45/32/65/506453265.db2.gz HWJOEUDSIHJFQH-AGUYFDCRSA-N 0 3 358.398 3.205 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCCN2c3ccccc3C[C@H]2C1 ZINC000589280605 506505118 /nfs/dbraw/zinc/50/51/18/506505118.db2.gz UTOAXWGPZOVEGO-KRWDZBQOSA-N 0 3 353.422 3.111 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596657440 506514705 /nfs/dbraw/zinc/51/47/05/506514705.db2.gz LVSAUZMRJLXPGR-KRWDZBQOSA-N 0 3 360.458 3.142 20 5 FGBDHN COc1cc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c([N+](=O)[O-])cc1O ZINC000589325233 506518726 /nfs/dbraw/zinc/51/87/26/506518726.db2.gz WMBDXQIRHAXRDY-QAPCUYQASA-N 0 3 358.394 3.319 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000582985314 506524116 /nfs/dbraw/zinc/52/41/16/506524116.db2.gz DHWDEIIQPKEHIP-KRWDZBQOSA-N 0 3 373.457 3.377 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCCC2 ZINC000583051155 506560229 /nfs/dbraw/zinc/56/02/29/506560229.db2.gz BWAKVLWJBCAUFD-KZNAEPCWSA-N 0 3 373.453 3.028 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCCC2 ZINC000583051154 506560635 /nfs/dbraw/zinc/56/06/35/506560635.db2.gz BWAKVLWJBCAUFD-FGTMMUONSA-N 0 3 373.453 3.028 20 5 FGBDHN COc1ccc([C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599702728 506591250 /nfs/dbraw/zinc/59/12/50/506591250.db2.gz YJFASPAKYTZTRL-IBGZPJMESA-N 0 3 370.409 3.068 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C2)C1 ZINC000599840951 506673544 /nfs/dbraw/zinc/67/35/44/506673544.db2.gz WFOAZGCYNXBTAK-IBGZPJMESA-N 0 3 369.425 3.093 20 5 FGBDHN COc1cc(CNCCC(C)(C)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000597205441 506833991 /nfs/dbraw/zinc/83/39/91/506833991.db2.gz FKHMRTVOKOEPQS-UHFFFAOYSA-N 0 3 350.337 3.475 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600228288 506859351 /nfs/dbraw/zinc/85/93/51/506859351.db2.gz ISHICMJJAGMAHV-AWEZNQCLSA-N 0 3 351.834 3.385 20 5 FGBDHN COc1cc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000590585787 506869548 /nfs/dbraw/zinc/86/95/48/506869548.db2.gz SMXPAAPPCDEEDU-UHFFFAOYSA-N 0 3 351.447 3.213 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594027492 506893107 /nfs/dbraw/zinc/89/31/07/506893107.db2.gz VMWZTQVWYUAGFX-INIZCTEOSA-N 0 3 361.442 3.265 20 5 FGBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N(C)Cc1ccccc1 ZINC000609529550 506908959 /nfs/dbraw/zinc/90/89/59/506908959.db2.gz UBWTWJQYQNJRJS-AWEZNQCLSA-N 0 3 366.421 3.326 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000609600171 506939492 /nfs/dbraw/zinc/93/94/92/506939492.db2.gz GPWPQUDVXPSUEP-UHFFFAOYSA-N 0 3 352.394 3.068 20 5 FGBDHN COc1cccc2c1CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000590759929 506940576 /nfs/dbraw/zinc/94/05/76/506940576.db2.gz UNNDTKQRWRZHAA-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470956 506962682 /nfs/dbraw/zinc/96/26/82/506962682.db2.gz QEWIIADBJHMNAE-QFBILLFUSA-N 0 3 359.470 3.297 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594200273 507002673 /nfs/dbraw/zinc/00/26/73/507002673.db2.gz KKFQPLYRHMXGBX-XKQJLSEDSA-N 0 3 363.483 3.209 20 5 FGBDHN CN(C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000609893008 507041272 /nfs/dbraw/zinc/04/12/72/507041272.db2.gz VUPOUBMDWDSYCD-UHFFFAOYSA-N 0 3 364.833 3.238 20 5 FGBDHN CC(C)(NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283620 507061572 /nfs/dbraw/zinc/06/15/72/507061572.db2.gz LQVHGTJHUIWECJ-RDJZCZTQSA-N 0 3 360.458 3.146 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000610344276 507202431 /nfs/dbraw/zinc/20/24/31/507202431.db2.gz LUTKXSWDQGYYCU-XOKHGSTOSA-N 0 3 361.442 3.249 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601019819 507230935 /nfs/dbraw/zinc/23/09/35/507230935.db2.gz GCVAJGXQARXUGM-MRXNPFEDSA-N 0 3 371.412 3.376 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000610432878 507236548 /nfs/dbraw/zinc/23/65/48/507236548.db2.gz GSYZLBHAWVVDIC-IBGZPJMESA-N 0 3 352.394 3.201 20 5 FGBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610445665 507241415 /nfs/dbraw/zinc/24/14/15/507241415.db2.gz BOJSUHGRNXDOII-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000598218031 507321863 /nfs/dbraw/zinc/32/18/63/507321863.db2.gz CRPGWRZABRZHIC-AWEZNQCLSA-N 0 3 361.442 3.130 20 5 FGBDHN CC(=O)NCc1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000594949626 507326377 /nfs/dbraw/zinc/32/63/77/507326377.db2.gz FKNAULIZLDQCDW-XNTDXEJSSA-N 0 3 353.422 3.424 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598262848 507348352 /nfs/dbraw/zinc/34/83/52/507348352.db2.gz MRYZACMCCCWNHY-GFCCVEGCSA-N 0 3 371.384 3.046 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCOCC1CCOCC1 ZINC000595008629 507351910 /nfs/dbraw/zinc/35/19/10/507351910.db2.gz PBERGEOEHZIHCU-AWEZNQCLSA-N 0 3 352.431 3.087 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cn2cccc(C)c2n1 ZINC000595013196 507354165 /nfs/dbraw/zinc/35/41/65/507354165.db2.gz PFDVXFTVDVERPG-AWEZNQCLSA-N 0 3 354.410 3.453 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000595067821 507376015 /nfs/dbraw/zinc/37/60/15/507376015.db2.gz YICZBANEJUBHGR-QMCVQRASSA-N 0 3 366.458 3.210 20 5 FGBDHN CS(=O)(=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595078388 507382520 /nfs/dbraw/zinc/38/25/20/507382520.db2.gz VOLQIXZFZQUUKJ-KRWDZBQOSA-N 0 3 366.483 3.309 20 5 FGBDHN CCC(CC)[C@@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000610959394 507454530 /nfs/dbraw/zinc/45/45/30/507454530.db2.gz UTDFZZFSFLHYIQ-MRXNPFEDSA-N 0 3 352.431 3.297 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3cccc(F)c3)CCC2)c1 ZINC000592145142 507507006 /nfs/dbraw/zinc/50/70/06/507507006.db2.gz PAZSCOHTSFARDB-KRWDZBQOSA-N 0 3 360.385 3.143 20 5 FGBDHN CC(=O)N1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000598677387 507548688 /nfs/dbraw/zinc/54/86/88/507548688.db2.gz GLRSWXGBHGDXDM-GOSISDBHSA-N 0 3 355.394 3.061 20 5 FGBDHN CCOc1ccc([C@H](C)NC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000611248223 507579479 /nfs/dbraw/zinc/57/94/79/507579479.db2.gz OHLLFGQJBWEQHL-LBPRGKRZSA-N 0 3 357.401 3.374 20 5 FGBDHN COc1ccc([C@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)cc1 ZINC000611267325 507592539 /nfs/dbraw/zinc/59/25/39/507592539.db2.gz JHBKMQBBEFOZHT-HNNXBMFYSA-N 0 3 370.405 3.364 20 5 FGBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000585756165 507616616 /nfs/dbraw/zinc/61/66/16/507616616.db2.gz POZAIDYOIYKAAQ-FQEVSTJZSA-N 0 3 369.465 3.222 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(C2CCC2)CC1 ZINC000595661240 507617765 /nfs/dbraw/zinc/61/77/65/507617765.db2.gz XKDVNROEJFCPRT-UHFFFAOYSA-N 0 3 359.426 3.405 20 5 FGBDHN COc1ccc(OCCN2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000611350173 507636113 /nfs/dbraw/zinc/63/61/13/507636113.db2.gz DGUGGHSJRGOSRV-JKSUJKDBSA-N 0 3 364.442 3.121 20 5 FGBDHN Cn1cnc(CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000592394067 507637023 /nfs/dbraw/zinc/63/70/23/507637023.db2.gz LNGPNUMJPTUFHS-LJQANCHMSA-N 0 3 351.410 3.035 20 5 FGBDHN CN(C)C(=O)C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000611384929 507653727 /nfs/dbraw/zinc/65/37/27/507653727.db2.gz XWRCFUMOUZRXOD-IBGZPJMESA-N 0 3 371.437 3.173 20 5 FGBDHN CN1CCC(n2ccc(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH]2)CC1 ZINC000490014500 561424600 /nfs/dbraw/zinc/42/46/00/561424600.db2.gz PZOZJDYKFUNDCS-UHFFFAOYSA-N 0 3 369.381 3.057 20 5 FGBDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926010 606482577 /nfs/dbraw/zinc/48/25/77/606482577.db2.gz OQAIXYKPRQZRJT-MRXNPFEDSA-N 0 3 368.397 3.024 20 5 FGBDHN CN(CCOc1ccc(Cl)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812643 704864950 /nfs/dbraw/zinc/86/49/50/704864950.db2.gz OPBFTMULVOHBGK-QGZVFWFLSA-N 0 3 350.802 3.292 20 5 FGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000156827244 705133361 /nfs/dbraw/zinc/13/33/61/705133361.db2.gz KPOPHLBBSBERRL-AWEZNQCLSA-N 0 3 359.813 3.381 20 5 FGBDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000775348189 723984329 /nfs/dbraw/zinc/98/43/29/723984329.db2.gz UDUKXLSNSPDHKS-DGCLKSJQSA-N 0 3 355.822 3.205 20 5 FGBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801539592 724311207 /nfs/dbraw/zinc/31/12/07/724311207.db2.gz JKHSSHHRUNMAPH-CQSZACIVSA-N 0 3 353.394 3.127 20 5 FGBDHN CC(COC(=O)c1ccc(Br)c(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813103222 726839246 /nfs/dbraw/zinc/83/92/46/726839246.db2.gz ZDSXKWNXADFKKB-LURJTMIESA-N 0 3 356.094 3.290 20 5 FGBDHN CC(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)[N+](=O)[O-] ZINC000813104915 726839563 /nfs/dbraw/zinc/83/95/63/726839563.db2.gz SUXUWVSUTQCUPM-LBPRGKRZSA-N 0 3 357.391 3.423 20 5 FGBDHN CC(C)n1c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2nc1C(F)(F)F ZINC000813111422 726840361 /nfs/dbraw/zinc/84/03/61/726840361.db2.gz HAQJTIQCOFCHSP-SECBINFHSA-N 0 3 359.304 3.458 20 5 FGBDHN CC(COC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C)[N+](=O)[O-] ZINC000813115072 726840674 /nfs/dbraw/zinc/84/06/74/726840674.db2.gz ZXVIEAVHDKDTDV-NSHDSACASA-N 0 3 359.407 3.048 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820628861 729012025 /nfs/dbraw/zinc/01/20/25/729012025.db2.gz CZNDWTKVYIQNIN-LBPRGKRZSA-N 0 3 358.845 3.073 20 5 FGBDHN CC([C@H](OC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875877 730905224 /nfs/dbraw/zinc/90/52/24/730905224.db2.gz DVKQCQHZAGAEBO-GYSYKLTISA-N 0 3 355.362 3.053 20 5 FGBDHN CO[C@H](CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])C(F)(F)F ZINC000845882582 730906106 /nfs/dbraw/zinc/90/61/06/730906106.db2.gz WETNWYUPMBLUQZ-XTWCZFFVSA-N 0 3 353.268 3.043 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000847081085 731017475 /nfs/dbraw/zinc/01/74/75/731017475.db2.gz RNZCNPNMYXJNEZ-DOMZBBRYSA-N 0 3 355.822 3.124 20 5 FGBDHN CC([C@H](OC(=O)c1scc2c1OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737675 731085930 /nfs/dbraw/zinc/08/59/30/731085930.db2.gz VZPVLFPKJXEICB-RNCFNFMXSA-N 0 3 367.354 3.222 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850579930 731375823 /nfs/dbraw/zinc/37/58/23/731375823.db2.gz CXTROGGBZVKBLB-GOEBONIOSA-N 0 3 352.312 3.323 20 5 FGBDHN Cc1c(Cc2noc(-c3cc4c(s3)CCNC4)n2)cccc1[N+](=O)[O-] ZINC000854142765 731797429 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O=[N+]([O-])c1ccc(N2CCC(NCc3cc(O)ccc3Cl)CC2)cn1 ZINC000895634359 742435176 /nfs/dbraw/zinc/43/51/76/742435176.db2.gz YUBVNCZJOLJHBB-UHFFFAOYSA-N 0 3 362.817 3.107 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000579820160 505627203 /nfs/dbraw/zinc/62/72/03/505627203.db2.gz VOPGDXBKTHYCRB-QGZVFWFLSA-N 0 3 360.389 3.467 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048050757 493776770 /nfs/dbraw/zinc/77/67/70/493776770.db2.gz BUWJNTNUIGREKW-UHFFFAOYSA-N 0 3 360.389 3.330 20 5 FGBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386881 493881202 /nfs/dbraw/zinc/88/12/02/493881202.db2.gz LCLJPPFUJLHXHH-RHSMWYFYSA-N 0 3 353.422 3.380 20 5 FGBDHN CSc1ccc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030534600 493895846 /nfs/dbraw/zinc/89/58/46/493895846.db2.gz XZOQARBODXXKFJ-CZUORRHYSA-N 0 3 362.451 3.407 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050579640 493922159 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O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129969484 495321952 /nfs/dbraw/zinc/32/19/52/495321952.db2.gz IAVDUTYNKOHPLJ-UHFFFAOYSA-N 0 3 369.421 3.051 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000120447275 495381383 /nfs/dbraw/zinc/38/13/83/495381383.db2.gz AKCZQBRBUNIMTF-QWHCGFSZSA-N 0 3 369.849 3.006 20 5 FGBDHN CC(C)[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120519259 495397155 /nfs/dbraw/zinc/39/71/55/495397155.db2.gz FQYZDCUFPWQWQY-SJORKVTESA-N 0 3 354.472 3.173 20 5 FGBDHN CCOc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000107630806 495529864 /nfs/dbraw/zinc/52/98/64/495529864.db2.gz PIIRXSGZKBANOK-MRXNPFEDSA-N 0 3 361.442 3.084 20 5 FGBDHN C[C@@H](O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000170691625 495568862 /nfs/dbraw/zinc/56/88/62/495568862.db2.gz CHCLVVHPCPAVGQ-GFCCVEGCSA-N 0 3 369.849 3.202 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000179422496 495585205 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/nfs/dbraw/zinc/19/58/20/496195820.db2.gz KMNZRAKQQWZMAQ-SFHVURJKSA-N 0 3 358.394 3.388 20 5 FGBDHN O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424775 496293628 /nfs/dbraw/zinc/29/36/28/496293628.db2.gz QPPIMVMGJRJQFN-KRWDZBQOSA-N 0 3 365.433 3.396 20 5 FGBDHN Cc1cccc(S(=O)(=O)CCCN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000184304783 496327435 /nfs/dbraw/zinc/32/74/35/496327435.db2.gz IOEUTYWUBWBRBZ-OAHLLOKOSA-N 0 3 362.451 3.418 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000172731338 496407255 /nfs/dbraw/zinc/40/72/55/496407255.db2.gz TUTYJZAOLCXWCL-UHFFFAOYSA-N 0 3 357.410 3.233 20 5 FGBDHN CCc1cc(N2CCC[C@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000178655831 496530233 /nfs/dbraw/zinc/53/02/33/496530233.db2.gz KDGGQVRMTSIMBX-YOEHRIQHSA-N 0 3 355.442 3.267 20 5 FGBDHN Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000173116497 496555940 /nfs/dbraw/zinc/55/59/40/496555940.db2.gz MCZKBYPETJPQKZ-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173304224 496633918 /nfs/dbraw/zinc/63/39/18/496633918.db2.gz MLXVVKRPUDEFJM-OXJNMPFZSA-N 0 3 355.438 3.319 20 5 FGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000182033683 496643438 /nfs/dbraw/zinc/64/34/38/496643438.db2.gz HXLYFAQPUPEXMV-GFCCVEGCSA-N 0 3 361.373 3.422 20 5 FGBDHN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173331528 496646028 /nfs/dbraw/zinc/64/60/28/496646028.db2.gz VNMMSTDODZYDFG-INIZCTEOSA-N 0 3 355.438 3.278 20 5 FGBDHN C[C@@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173343068 496649919 /nfs/dbraw/zinc/64/99/19/496649919.db2.gz UAQKENXZJTXRCL-QWHCGFSZSA-N 0 3 363.439 3.378 20 5 FGBDHN CN(C)C1(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000188031229 496657166 /nfs/dbraw/zinc/65/71/66/496657166.db2.gz ABNFOXKRDLRYMI-UHFFFAOYSA-N 0 3 374.466 3.275 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176113684 496688944 /nfs/dbraw/zinc/68/89/44/496688944.db2.gz OYISWSJDMQZJQU-QFBILLFUSA-N 0 3 367.449 3.307 20 5 FGBDHN C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000173430967 496690118 /nfs/dbraw/zinc/69/01/18/496690118.db2.gz RFXPWQQFSFAQKW-JTQLQIEISA-N 0 3 355.320 3.166 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCN(C2CCCC2)CC1 ZINC000179245468 496720376 /nfs/dbraw/zinc/72/03/76/496720376.db2.gz LYOODQUHFXKQPE-UHFFFAOYSA-N 0 3 368.437 3.234 20 5 FGBDHN Cc1ccc([C@H](C)NCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000268785849 496786066 /nfs/dbraw/zinc/78/60/66/496786066.db2.gz VOMRQAYJEHCTFR-HNNXBMFYSA-N 0 3 351.410 3.394 20 5 FGBDHN COc1ccc(CN[C@H](C)c2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000268831109 496798284 /nfs/dbraw/zinc/79/82/84/496798284.db2.gz OKJPRANMBMZMGS-OAHLLOKOSA-N 0 3 371.437 3.291 20 5 FGBDHN CCOC(=O)c1csc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000191556743 496810741 /nfs/dbraw/zinc/81/07/41/496810741.db2.gz LXROMYBMBGGJCP-LBPRGKRZSA-N 0 3 363.439 3.430 20 5 FGBDHN Cc1ccc(C(=O)NCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000578142482 505871453 /nfs/dbraw/zinc/87/14/53/505871453.db2.gz LWTJSWYJENZPBK-QGZVFWFLSA-N 0 3 357.385 3.049 20 5 FGBDHN COc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000278206854 497037938 /nfs/dbraw/zinc/03/79/38/497037938.db2.gz HHHVOUHWHQCFRL-GOSISDBHSA-N 0 3 372.421 3.142 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000192226027 497040162 /nfs/dbraw/zinc/04/01/62/497040162.db2.gz NVFYLJKGKHKTMD-QGZVFWFLSA-N 0 3 356.426 3.001 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000248796359 497106152 /nfs/dbraw/zinc/10/61/52/497106152.db2.gz JFHKITPBCGUCKR-CZUORRHYSA-N 0 3 373.840 3.499 20 5 FGBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000274578006 497127273 /nfs/dbraw/zinc/12/72/73/497127273.db2.gz HBYYMBDGYFRXKP-YGRLFVJLSA-N 0 3 372.347 3.172 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000192692608 497185902 /nfs/dbraw/zinc/18/59/02/497185902.db2.gz HHXZUTRGBUVWLC-MAUKXSAKSA-N 0 3 353.426 3.021 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000249725303 497237347 /nfs/dbraw/zinc/23/73/47/497237347.db2.gz PLAIMRIORFYNDY-IEBWSBKVSA-N 0 3 360.385 3.311 20 5 FGBDHN Cc1ccc(Sc2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])cc1 ZINC000237870801 497305113 /nfs/dbraw/zinc/30/51/13/497305113.db2.gz HPGXWBQMYVUIFU-UHFFFAOYSA-N 0 3 371.462 3.490 20 5 FGBDHN CCOc1ccc([C@@H](C)NC2CCN(c3cc(C)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000275781217 497429317 /nfs/dbraw/zinc/42/93/17/497429317.db2.gz ACZFTOZGOAWBLM-CQSZACIVSA-N 0 3 373.457 3.345 20 5 FGBDHN COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000190333887 497440969 /nfs/dbraw/zinc/44/09/69/497440969.db2.gz GBCXSLJAQUMJHR-IFXJQAMLSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1ccccc1[C@@H]1CNCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000261843067 497460131 /nfs/dbraw/zinc/46/01/31/497460131.db2.gz PIANFYBPYSTCJN-FNQPIQQGSA-N 0 3 353.422 3.263 20 5 FGBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245640653 497483947 /nfs/dbraw/zinc/48/39/47/497483947.db2.gz KLRFLLLRUYGIII-KYNGSXCRSA-N 0 3 368.437 3.400 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000245754232 497529576 /nfs/dbraw/zinc/52/95/76/497529576.db2.gz HGEHRYLLZUVCNX-HOTGVXAUSA-N 0 3 374.485 3.389 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000267380055 497538471 /nfs/dbraw/zinc/53/84/71/497538471.db2.gz MJFXXXWRMYJSQB-LJQANCHMSA-N 0 3 364.442 3.024 20 5 FGBDHN CCOc1cc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883135 497679027 /nfs/dbraw/zinc/67/90/27/497679027.db2.gz JCRWQWSXLFWHSS-OAHLLOKOSA-N 0 3 371.441 3.369 20 5 FGBDHN CCOc1cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000276883135 497679032 /nfs/dbraw/zinc/67/90/32/497679032.db2.gz JCRWQWSXLFWHSS-OAHLLOKOSA-N 0 3 371.441 3.369 20 5 FGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280503239 497775051 /nfs/dbraw/zinc/77/50/51/497775051.db2.gz NDVIBMROXLAKQE-NSHDSACASA-N 0 3 366.215 3.482 20 5 FGBDHN CC(C)(C)c1ccc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246769829 497809624 /nfs/dbraw/zinc/80/96/24/497809624.db2.gz RKTDRGQOWFXPHV-MOPGFXCFSA-N 0 3 372.469 3.287 20 5 FGBDHN COc1cc(CNCC[C@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000263782285 497815445 /nfs/dbraw/zinc/81/54/45/497815445.db2.gz FTCLXQOOVYAWKG-JTQLQIEISA-N 0 3 366.336 3.059 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccccn1 ZINC000299568616 497850518 /nfs/dbraw/zinc/85/05/18/497850518.db2.gz HBQUYYSOSUKDMW-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN COc1cccc(NC[C@H]2CCCN(Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000364279341 497877672 /nfs/dbraw/zinc/87/76/72/497877672.db2.gz DZXBCAYJQVDTBH-MRXNPFEDSA-N 0 3 356.426 3.323 20 5 FGBDHN CC(C)(NC[C@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000292152150 497901101 /nfs/dbraw/zinc/90/11/01/497901101.db2.gz NQILRXZTZVPBBO-ZDUSSCGKSA-N 0 3 350.440 3.059 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000364456217 497966286 /nfs/dbraw/zinc/96/62/86/497966286.db2.gz SGAWMRCPUOVBHY-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000364618930 498053027 /nfs/dbraw/zinc/05/30/27/498053027.db2.gz BECNNDIKUBMLKB-KDOFPFPSSA-N 0 3 359.451 3.008 20 5 FGBDHN CC(C)(CO)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289366592 498121835 /nfs/dbraw/zinc/12/18/35/498121835.db2.gz AJGNWPRVCGRXNS-HOCLYGCPSA-N 0 3 350.440 3.039 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000301507153 498140589 /nfs/dbraw/zinc/14/05/89/498140589.db2.gz HHAIRBGYHFFAFE-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN CCc1cc(N(C)[C@@H]2CCN(C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526479 498148702 /nfs/dbraw/zinc/14/87/02/498148702.db2.gz HZNZDVXUUIETKT-KBXCAEBGSA-N 0 3 369.469 3.391 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)CN2CCCCC2)cc1Cl ZINC000301646369 498204869 /nfs/dbraw/zinc/20/48/69/498204869.db2.gz DDFYJDDOYMOTEU-LLVKDONJSA-N 0 3 355.822 3.321 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285821015 498211731 /nfs/dbraw/zinc/21/17/31/498211731.db2.gz NTVTWTUMPGQSJY-NRFANRHFSA-N 0 3 365.433 3.333 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)o1 ZINC000360063128 498242817 /nfs/dbraw/zinc/24/28/17/498242817.db2.gz XVVHPOBBYYHTCO-LIRRHRJNSA-N 0 3 358.394 3.283 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000301733460 498243555 /nfs/dbraw/zinc/24/35/55/498243555.db2.gz UEDJWYRVZIFVOY-MJGOQNOKSA-N 0 3 355.438 3.198 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c2ncccc12 ZINC000301831563 498283447 /nfs/dbraw/zinc/28/34/47/498283447.db2.gz SQGGXJBSGGEDGX-MRXNPFEDSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835549 498286418 /nfs/dbraw/zinc/28/64/18/498286418.db2.gz ULBFCYQPSKETHD-HIFRSBDPSA-N 0 3 353.426 3.397 20 5 FGBDHN CCCN1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000365301216 498395562 /nfs/dbraw/zinc/39/55/62/498395562.db2.gz WWPUHCCMHHLJEL-CQSZACIVSA-N 0 3 359.430 3.124 20 5 FGBDHN C[C@H](C(=O)Nc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000581644419 506035471 /nfs/dbraw/zinc/03/54/71/506035471.db2.gz MLHCCCKOIHAAIK-AWEZNQCLSA-N 0 3 357.410 3.277 20 5 FGBDHN CCN1CCC(N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)CC1 ZINC000362411546 498513577 /nfs/dbraw/zinc/51/35/77/498513577.db2.gz BOMPKALYSDXVDF-UHFFFAOYSA-N 0 3 371.441 3.094 20 5 FGBDHN COc1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1O ZINC000290351524 498519039 /nfs/dbraw/zinc/51/90/39/498519039.db2.gz LYQUDALUJHWYFH-UHFFFAOYSA-N 0 3 366.801 3.303 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000365583792 498544209 /nfs/dbraw/zinc/54/42/09/498544209.db2.gz ZFDYRSXXDXWLQA-SJORKVTESA-N 0 3 369.421 3.457 20 5 FGBDHN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C1 ZINC000302938901 498631275 /nfs/dbraw/zinc/63/12/75/498631275.db2.gz HHKJXSVAXPQNNC-CYBMUJFWSA-N 0 3 370.409 3.180 20 5 FGBDHN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C1 ZINC000302938901 498631282 /nfs/dbraw/zinc/63/12/82/498631282.db2.gz HHKJXSVAXPQNNC-CYBMUJFWSA-N 0 3 370.409 3.180 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311591687 498751294 /nfs/dbraw/zinc/75/12/94/498751294.db2.gz DEDPDZXDCIEFKM-INIZCTEOSA-N 0 3 355.394 3.068 20 5 FGBDHN Cc1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000312091298 498755337 /nfs/dbraw/zinc/75/53/37/498755337.db2.gz ZMVOYSMFIIWHMA-ROUUACIJSA-N 0 3 352.438 3.257 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn(C)nc1-c1ccncc1 ZINC000283103901 498780565 /nfs/dbraw/zinc/78/05/65/498780565.db2.gz TWVMFGIGBCOHSI-UHFFFAOYSA-N 0 3 351.410 3.065 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000294797645 498809903 /nfs/dbraw/zinc/80/99/03/498809903.db2.gz BGNJFWXITVEHQT-WMZOPIPTSA-N 0 3 361.486 3.333 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1cccn1C ZINC000298606022 498827108 /nfs/dbraw/zinc/82/71/08/498827108.db2.gz LTBPBGAYALDJCM-QGZVFWFLSA-N 0 3 372.425 3.108 20 5 FGBDHN COc1cccc([C@H](CNc2c(Cl)cncc2[N+](=O)[O-])N(C)C)c1 ZINC000326580517 498845565 /nfs/dbraw/zinc/84/55/65/498845565.db2.gz HGIFCTFRHSKTIB-AWEZNQCLSA-N 0 3 350.806 3.367 20 5 FGBDHN Cc1c(CNC[C@H](O)COCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000327841814 498863997 /nfs/dbraw/zinc/86/39/97/498863997.db2.gz KWIYRZYRFGHFOV-KRWDZBQOSA-N 0 3 364.829 3.224 20 5 FGBDHN CC(=O)N1CCC[C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291478038 498956329 /nfs/dbraw/zinc/95/63/29/498956329.db2.gz FOKXCJULBDPKHJ-NSHDSACASA-N 0 3 360.241 3.250 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCN(C2CCOCC2)CC1 ZINC000370493590 499225945 /nfs/dbraw/zinc/22/59/45/499225945.db2.gz XJUAKWLJKVXYER-UHFFFAOYSA-N 0 3 353.850 3.248 20 5 FGBDHN CN1CC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369543396 499414934 /nfs/dbraw/zinc/41/49/34/499414934.db2.gz GGLYGHLRSDQNKM-PBHICJAKSA-N 0 3 374.466 3.149 20 5 FGBDHN Cc1cc(CN2CCC(N(C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)on1 ZINC000372409304 499430991 /nfs/dbraw/zinc/43/09/91/499430991.db2.gz DNBRGDPDFZVHAH-UHFFFAOYSA-N 0 3 358.442 3.296 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369672727 499435150 /nfs/dbraw/zinc/43/51/50/499435150.db2.gz SDHIKVCRHSSRCO-KSSFIOAISA-N 0 3 359.451 3.008 20 5 FGBDHN CCC(=O)c1ccc(NC2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000373522420 499474792 /nfs/dbraw/zinc/47/47/92/499474792.db2.gz NGTBRSYYUJOXKM-CQSZACIVSA-N 0 3 361.442 3.100 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000397958662 499565145 /nfs/dbraw/zinc/56/51/45/499565145.db2.gz CQVUZCWEWNRPFH-YOEHRIQHSA-N 0 3 365.437 3.216 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000376451252 499609786 /nfs/dbraw/zinc/60/97/86/499609786.db2.gz VQLBWKVAXZATSN-WDYCEAGBSA-N 0 3 359.470 3.249 20 5 FGBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411123917 499700310 /nfs/dbraw/zinc/70/03/10/499700310.db2.gz FZEFZTGWFKXTGJ-YSIASYRMSA-N 0 3 365.433 3.089 20 5 FGBDHN Cn1cccc1[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411309785 499724805 /nfs/dbraw/zinc/72/48/05/499724805.db2.gz SCXCHNZOODGXKN-SFHVURJKSA-N 0 3 356.426 3.489 20 5 FGBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000411469667 499744625 /nfs/dbraw/zinc/74/46/25/499744625.db2.gz ANQRMUVOWXOJLS-ZDUSSCGKSA-N 0 3 371.393 3.311 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000377966580 499752100 /nfs/dbraw/zinc/75/21/00/499752100.db2.gz QOGYQQWJGOXADL-UHFFFAOYSA-N 0 3 366.421 3.097 20 5 FGBDHN CC(C)c1ccc(CNCC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414565531 499809895 /nfs/dbraw/zinc/80/98/95/499809895.db2.gz YTUKJFABTONWTP-UHFFFAOYSA-N 0 3 354.472 3.023 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCCN(C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000413157944 499920541 /nfs/dbraw/zinc/92/05/41/499920541.db2.gz URCLRLSTHMQDIQ-UHFFFAOYSA-N 0 3 358.364 3.463 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC000429151746 500014551 /nfs/dbraw/zinc/01/45/51/500014551.db2.gz TZZIATLAMPFRGD-CQSZACIVSA-N 0 3 352.847 3.311 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000429296528 500046274 /nfs/dbraw/zinc/04/62/74/500046274.db2.gz CHYWLBFHIBSRIK-VHSSKADRSA-N 0 3 363.458 3.271 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(CC)CC ZINC000429343475 500056292 /nfs/dbraw/zinc/05/62/92/500056292.db2.gz HOBWBRZHECLREL-HOTGVXAUSA-N 0 3 363.458 3.415 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cccc(C)c2C1 ZINC000429566264 500104523 /nfs/dbraw/zinc/10/45/23/500104523.db2.gz CTHZTGVUZHKDNP-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN CC(C)(CO)[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425489610 500122157 /nfs/dbraw/zinc/12/21/57/500122157.db2.gz XXNFJGWFJFKDIX-AWEZNQCLSA-N 0 3 357.248 3.244 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000425499445 500125226 /nfs/dbraw/zinc/12/52/26/500125226.db2.gz AYFAHEPFSRHZKD-UHFFFAOYSA-N 0 3 361.471 3.006 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429866221 500158687 /nfs/dbraw/zinc/15/86/87/500158687.db2.gz MUQWSEGVYXOTET-UHFFFAOYSA-N 0 3 355.438 3.250 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425966622 500217707 /nfs/dbraw/zinc/21/77/07/500217707.db2.gz LJIIBPAOHVEFBP-UTKZUKDTSA-N 0 3 369.465 3.225 20 5 FGBDHN Cc1ccc(CC(C)(C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000419337626 500355132 /nfs/dbraw/zinc/35/51/32/500355132.db2.gz RFLKLKVLLCHIFG-UHFFFAOYSA-N 0 3 355.438 3.477 20 5 FGBDHN CC(C)C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000431514682 500387085 /nfs/dbraw/zinc/38/70/85/500387085.db2.gz SNVGGONMAFZCAC-AWEZNQCLSA-N 0 3 372.263 3.063 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000427469186 500396851 /nfs/dbraw/zinc/39/68/51/500396851.db2.gz AHCSVBNEHJTXBK-CQSZACIVSA-N 0 3 371.437 3.463 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000431800150 500426607 /nfs/dbraw/zinc/42/66/07/500426607.db2.gz KPAXDSXWBJOVSZ-HNNXBMFYSA-N 0 3 362.474 3.250 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000428534371 500521690 /nfs/dbraw/zinc/52/16/90/500521690.db2.gz IHIPMMPNOCHJKP-ICSRJNTNSA-N 0 3 374.412 3.388 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000428534370 500521702 /nfs/dbraw/zinc/52/17/02/500521702.db2.gz IHIPMMPNOCHJKP-AZUAARDMSA-N 0 3 374.412 3.388 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200918 500613156 /nfs/dbraw/zinc/61/31/56/500613156.db2.gz VUVNZYUYDCGXFB-NEPJUHHUSA-N 0 3 373.375 3.464 20 5 FGBDHN CCc1ccc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072042 500619712 /nfs/dbraw/zinc/61/97/12/500619712.db2.gz MVFKFIYKVAGUCV-AZUAARDMSA-N 0 3 370.449 3.386 20 5 FGBDHN CC(C)n1cc([C@H](C)NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602565687 506219143 /nfs/dbraw/zinc/21/91/43/506219143.db2.gz RHCXCDOMDFDPEM-AWEZNQCLSA-N 0 3 358.446 3.087 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](CC(F)(F)F)C1 ZINC000444707270 500884333 /nfs/dbraw/zinc/88/43/33/500884333.db2.gz PKRCBCIAVBXINS-LLVKDONJSA-N 0 3 373.331 3.167 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CCCN(Cc4ccccc4)CC3)nc2c1 ZINC000434834192 500900424 /nfs/dbraw/zinc/90/04/24/500900424.db2.gz OLVSFQOYDKZQNR-UHFFFAOYSA-N 0 3 366.421 3.444 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449105682 500926079 /nfs/dbraw/zinc/92/60/79/500926079.db2.gz DZDJTOSNQYQROV-KBPBESRZSA-N 0 3 362.451 3.280 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000439881037 500949398 /nfs/dbraw/zinc/94/93/98/500949398.db2.gz BGCWUIXIJUKTDG-ZIAGYGMSSA-N 0 3 364.446 3.378 20 5 FGBDHN CCn1ccnc1[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449316340 500975044 /nfs/dbraw/zinc/97/50/44/500975044.db2.gz MRTZAYDLPAHYBJ-HNAYVOBHSA-N 0 3 372.469 3.500 20 5 FGBDHN C[C@@H](CC(=O)NCCc1ccccc1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449346536 500984271 /nfs/dbraw/zinc/98/42/71/500984271.db2.gz AOFCBGBVSWNPPW-HOTGVXAUSA-N 0 3 355.438 3.383 20 5 FGBDHN NC(=O)[C@@H]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000449744192 501072672 /nfs/dbraw/zinc/07/26/72/501072672.db2.gz FKYFYFHUXSHIEH-HIFRSBDPSA-N 0 3 373.384 3.270 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000446347362 501107969 /nfs/dbraw/zinc/10/79/69/501107969.db2.gz YJZAIFIHQHUUKF-AWEZNQCLSA-N 0 3 351.834 3.303 20 5 FGBDHN C[C@H](C[C@H]1CCCC(=O)N1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602639426 506241023 /nfs/dbraw/zinc/24/10/23/506241023.db2.gz ISONNRJQHMWTFC-ZWNOBZJWSA-N 0 3 359.348 3.151 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000453235766 501296336 /nfs/dbraw/zinc/29/63/36/501296336.db2.gz MYRHJFIECXKZDV-UKRRQHHQSA-N 0 3 360.435 3.125 20 5 FGBDHN CC[C@]1(C(C)C)C[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000453608875 501360336 /nfs/dbraw/zinc/36/03/36/501360336.db2.gz IVIQUXCIQUOTRH-SJLPKXTDSA-N 0 3 350.415 3.061 20 5 FGBDHN COc1cc(CN(C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000452029206 501420680 /nfs/dbraw/zinc/42/06/80/501420680.db2.gz DBVCBVXFSNHLPJ-UHFFFAOYSA-N 0 3 361.364 3.062 20 5 FGBDHN C[C@H]1Oc2ccccc2[C@@H]1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602664711 506252851 /nfs/dbraw/zinc/25/28/51/506252851.db2.gz QIDXELSMANVLFT-BFUOFWGJSA-N 0 3 354.410 3.070 20 5 FGBDHN C[C@H]1CN(c2ccccc2CN(C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000459543857 501673303 /nfs/dbraw/zinc/67/33/03/501673303.db2.gz MYUFHJHOHMOVJG-KRWDZBQOSA-N 0 3 369.465 3.494 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459651086 501693200 /nfs/dbraw/zinc/69/32/00/501693200.db2.gz YLRXZFYHSDDZBV-CABCVRRESA-N 0 3 356.426 3.318 20 5 FGBDHN CCN1CCN(c2ccc(Nc3cc(C)c([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000470863099 501832493 /nfs/dbraw/zinc/83/24/93/501832493.db2.gz QWBBTCJOPPWLHT-UHFFFAOYSA-N 0 3 355.442 3.492 20 5 FGBDHN C[C@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000481622801 501835602 /nfs/dbraw/zinc/83/56/02/501835602.db2.gz GWBDYFOTZXKMBL-HNNXBMFYSA-N 0 3 363.421 3.236 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000474570094 501878842 /nfs/dbraw/zinc/87/88/42/501878842.db2.gz KCVKJYXSSVWYPT-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000467851335 501890570 /nfs/dbraw/zinc/89/05/70/501890570.db2.gz LSDSXRLGWUPUOR-ZLIFDBKOSA-N 0 3 350.365 3.483 20 5 FGBDHN C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000467851334 501890680 /nfs/dbraw/zinc/89/06/80/501890680.db2.gz LSDSXRLGWUPUOR-VUCTXSBTSA-N 0 3 350.365 3.483 20 5 FGBDHN COc1cc(C(=O)NC[C@H]2CCCCN2CC(C)C)cc([N+](=O)[O-])c1C ZINC000478346014 501950694 /nfs/dbraw/zinc/95/06/94/501950694.db2.gz RBTMVHVDSDQAOR-MRXNPFEDSA-N 0 3 363.458 3.152 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485837790 501956378 /nfs/dbraw/zinc/95/63/78/501956378.db2.gz BXELJLXLJZSXLO-JSGCOSHPSA-N 0 3 373.434 3.295 20 5 FGBDHN Cc1c(CN[C@H](C)Cn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000478484904 501998002 /nfs/dbraw/zinc/99/80/02/501998002.db2.gz CVTPPEAJFMKQLW-SNVBAGLBSA-N 0 3 353.220 3.041 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nccn1CC(F)(F)F)C1CC1 ZINC000482263030 502022968 /nfs/dbraw/zinc/02/29/68/502022968.db2.gz ZTKODYQJJAGHEY-AWEZNQCLSA-N 0 3 368.359 3.465 20 5 FGBDHN COc1cc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464675502 502061137 /nfs/dbraw/zinc/06/11/37/502061137.db2.gz ANQRRWFRNRCNOK-KRWDZBQOSA-N 0 3 373.428 3.449 20 5 FGBDHN Cc1ncc(CNC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602784348 506296723 /nfs/dbraw/zinc/29/67/23/506296723.db2.gz OADSIYXRYWZPRD-UHFFFAOYSA-N 0 3 374.466 3.031 20 5 FGBDHN COC(=O)COc1ccc(CN(C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000475569709 502214639 /nfs/dbraw/zinc/21/46/39/502214639.db2.gz BCWPVELVHVJPMW-UHFFFAOYSA-N 0 3 350.415 3.159 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475614186 502228028 /nfs/dbraw/zinc/22/80/28/502228028.db2.gz FLNJSDWZJVOLHJ-HNNXBMFYSA-N 0 3 364.442 3.405 20 5 FGBDHN COC(=O)COc1ccc(CN(C)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475721931 502264151 /nfs/dbraw/zinc/26/41/51/502264151.db2.gz HWHHEGZXQVPDCH-OAHLLOKOSA-N 0 3 372.421 3.382 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000462193483 502344200 /nfs/dbraw/zinc/34/42/00/502344200.db2.gz QYWVFCNMAYXIER-SCLBCKFNSA-N 0 3 373.840 3.499 20 5 FGBDHN CCN1CCN(c2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000473344648 502570096 /nfs/dbraw/zinc/57/00/96/502570096.db2.gz YZABCCPHRRHZSL-UHFFFAOYSA-N 0 3 372.400 3.128 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000480458689 502574613 /nfs/dbraw/zinc/57/46/13/502574613.db2.gz FEVWJBCSFZGNQA-CQSZACIVSA-N 0 3 350.365 3.122 20 5 FGBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146671 502678160 /nfs/dbraw/zinc/67/81/60/502678160.db2.gz KTKHGEUFRWAOHB-WRSAYESZSA-N 0 3 371.462 3.409 20 5 FGBDHN Cc1cc(NC[C@H](n2cccn2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000599116516 506328403 /nfs/dbraw/zinc/32/84/03/506328403.db2.gz JDZDSUDVGXMWAO-HNNXBMFYSA-N 0 3 365.315 3.285 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514976 502738731 /nfs/dbraw/zinc/73/87/31/502738731.db2.gz KLTOYOGWKQAGRA-HNAYVOBHSA-N 0 3 353.422 3.235 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000588766635 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IVLAOFAQLQXUDY-GJYPPUQNSA-N 0 3 371.485 3.270 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCS(=O)(=O)c1ccccc1 ZINC000563419296 505137355 /nfs/dbraw/zinc/13/73/55/505137355.db2.gz TZDUNYNUOYIITB-QGZVFWFLSA-N 0 3 360.435 3.036 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000557782689 505229791 /nfs/dbraw/zinc/22/97/91/505229791.db2.gz MWIWRQFDTXWBOI-DLBZAZTESA-N 0 3 361.442 3.251 20 5 FGBDHN COc1cc(C(=O)Nc2cc(CN(C)C)ccc2OC)cc([N+](=O)[O-])c1C ZINC000566654151 505233031 /nfs/dbraw/zinc/23/30/31/505233031.db2.gz MMCKKRNNBZTOKH-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000557833367 505240792 /nfs/dbraw/zinc/24/07/92/505240792.db2.gz OZGCQPGRAXXSFP-ZDUSSCGKSA-N 0 3 359.470 3.466 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)c1ccco1 ZINC000563910350 505273035 /nfs/dbraw/zinc/27/30/35/505273035.db2.gz PJGYPRDSXFYCKF-GXTWGEPZSA-N 0 3 360.414 3.089 20 5 FGBDHN Cc1c(Br)c(NCC23CCCN2CCC3)ncc1[N+](=O)[O-] ZINC000561323947 505314919 /nfs/dbraw/zinc/31/49/19/505314919.db2.gz VWGBBRXNRINTGJ-UHFFFAOYSA-N 0 3 355.236 3.101 20 5 FGBDHN CNC(=O)c1ccc(N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c([N+](=O)[O-])c1 ZINC000561436340 505345066 /nfs/dbraw/zinc/34/50/66/505345066.db2.gz BTCGQMNRKNAUFF-KUHUBIRLSA-N 0 3 370.453 3.366 20 5 FGBDHN CCC[C@H](NCc1cccc(OCC(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000552075152 505391305 /nfs/dbraw/zinc/39/13/05/505391305.db2.gz MDKWXDJOSDLPMR-IBGZPJMESA-N 0 3 371.437 3.351 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000561762125 505430284 /nfs/dbraw/zinc/43/02/84/505430284.db2.gz PYXLFNQKFXTYAJ-IIYDPXPESA-N 0 3 359.470 3.322 20 5 FGBDHN C[C@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000558690597 505464509 /nfs/dbraw/zinc/46/45/09/505464509.db2.gz IZRIGQVNVUPXHT-PQUAAJSLSA-N 0 3 359.470 3.421 20 5 FGBDHN COc1ccc(CC(=O)Nc2cc(CN(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000558810826 505500318 /nfs/dbraw/zinc/50/03/18/505500318.db2.gz LUWXPMBAFRBECV-UHFFFAOYSA-N 0 3 357.410 3.155 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986260 505565590 /nfs/dbraw/zinc/56/55/90/505565590.db2.gz PPTCLGJXWUYPJB-DZGCQCFKSA-N 0 3 350.415 3.003 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cc(C(F)(F)F)n[nH]3)c2c1 ZINC000588933940 506386702 /nfs/dbraw/zinc/38/67/02/506386702.db2.gz WWZHYOBIIWZESL-UHFFFAOYSA-N 0 3 353.304 3.150 20 5 FGBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccncc3)CC2)c(Cl)c1 ZINC000596441862 506405437 /nfs/dbraw/zinc/40/54/37/506405437.db2.gz RHTBKPRIBMSJCZ-UHFFFAOYSA-N 0 3 361.833 3.362 20 5 FGBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593162460 506433127 /nfs/dbraw/zinc/43/31/27/506433127.db2.gz ODPMZIHJIMZSOQ-KRWDZBQOSA-N 0 3 371.412 3.186 20 5 FGBDHN CN(C)CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1 ZINC000589196772 506480053 /nfs/dbraw/zinc/48/00/53/506480053.db2.gz YGSMDERMBKGTIR-GOSISDBHSA-N 0 3 373.453 3.397 20 5 FGBDHN CN(c1ccccc1)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000589209418 506484571 /nfs/dbraw/zinc/48/45/71/506484571.db2.gz MIONGFJVIZGVKG-INIZCTEOSA-N 0 3 368.437 3.060 20 5 FGBDHN Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3cc[n-]c(=O)c3[N+](=O)[O-])C2)s1 ZINC000603400096 506503196 /nfs/dbraw/zinc/50/31/96/506503196.db2.gz JQTXVVXLXDBERA-CYBMUJFWSA-N 0 3 362.455 3.024 20 5 FGBDHN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3cc[n-]c(=O)c3[N+](=O)[O-])C2)s1 ZINC000603400096 506503200 /nfs/dbraw/zinc/50/32/00/506503200.db2.gz JQTXVVXLXDBERA-CYBMUJFWSA-N 0 3 362.455 3.024 20 5 FGBDHN Cc1cccc2c1OC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000589351608 506525889 /nfs/dbraw/zinc/52/58/89/506525889.db2.gz XTZWZPQKZQMJCF-RHSMWYFYSA-N 0 3 369.421 3.214 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596678926 506529308 /nfs/dbraw/zinc/52/93/08/506529308.db2.gz GJCKIMIGOJHVBQ-OAHLLOKOSA-N 0 3 360.458 3.142 20 5 FGBDHN COc1ccc([C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599702729 506590477 /nfs/dbraw/zinc/59/04/77/506590477.db2.gz YJFASPAKYTZTRL-LJQANCHMSA-N 0 3 370.409 3.068 20 5 FGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@H](C)C1 ZINC000599830479 506663258 /nfs/dbraw/zinc/66/32/58/506663258.db2.gz JENACXIVRIUSLI-KBPBESRZSA-N 0 3 371.441 3.385 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609154078 506796231 /nfs/dbraw/zinc/79/62/31/506796231.db2.gz UETAELWIYMXTFY-OAHLLOKOSA-N 0 3 355.438 3.383 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000609153979 506796490 /nfs/dbraw/zinc/79/64/90/506796490.db2.gz NAGPRXXYHJOTSK-DZGCQCFKSA-N 0 3 351.472 3.018 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)s1 ZINC000597173059 506813247 /nfs/dbraw/zinc/81/32/47/506813247.db2.gz DCICIQXCNKJNLU-CQSZACIVSA-N 0 3 369.450 3.437 20 5 FGBDHN CC(C)(C(=O)N1CCC[C@H](N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000613019693 506867364 /nfs/dbraw/zinc/86/73/64/506867364.db2.gz KCMDYDMJMXJTBH-HNNXBMFYSA-N 0 3 363.433 3.098 20 5 FGBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874570 507033651 /nfs/dbraw/zinc/03/36/51/507033651.db2.gz MRRQBACZIQLMPI-LBPRGKRZSA-N 0 3 353.850 3.489 20 5 FGBDHN CCOC(=O)c1ccnc(NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000609963061 507055716 /nfs/dbraw/zinc/05/57/16/507055716.db2.gz LOCNCLKDMXZYDW-ZDUSSCGKSA-N 0 3 364.446 3.089 20 5 FGBDHN O=C1NCCC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000590971888 507067362 /nfs/dbraw/zinc/06/73/62/507067362.db2.gz SLYQQLAJGVANOB-NSHDSACASA-N 0 3 363.801 3.124 20 5 FGBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)cc1 ZINC000610088569 507095231 /nfs/dbraw/zinc/09/52/31/507095231.db2.gz UQBPROHJWBESHT-QGZVFWFLSA-N 0 3 359.813 3.186 20 5 FGBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCN(CC2CCC2)CC1 ZINC000591079649 507104418 /nfs/dbraw/zinc/10/44/18/507104418.db2.gz YLXULDSGWZOPHD-UHFFFAOYSA-N 0 3 356.426 3.024 20 5 FGBDHN COC(=O)c1cc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc([N+](=O)[O-])c1 ZINC000600787775 507121661 /nfs/dbraw/zinc/12/16/61/507121661.db2.gz FNBHEVAAFQVEQI-KPZWWZAWSA-N 0 3 356.378 3.098 20 5 FGBDHN COc1c(C)cccc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594510013 507161010 /nfs/dbraw/zinc/16/10/10/507161010.db2.gz MULJVAAVKRMOQP-CQSZACIVSA-N 0 3 357.410 3.419 20 5 FGBDHN COc1ccc(CNC[C@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594517877 507166862 /nfs/dbraw/zinc/16/68/62/507166862.db2.gz FDDZQNJWFPVDEA-AWEZNQCLSA-N 0 3 352.431 3.307 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591310725 507195336 /nfs/dbraw/zinc/19/53/36/507195336.db2.gz GIORXNWQSYKTJH-UHFFFAOYSA-N 0 3 369.425 3.078 20 5 FGBDHN CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040229 507229108 /nfs/dbraw/zinc/22/91/08/507229108.db2.gz NULBLCJYGXAPGY-MRXNPFEDSA-N 0 3 368.437 3.213 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCCC2(O)CCOCC2)c2ccccc2)c1 ZINC000584237534 507231032 /nfs/dbraw/zinc/23/10/32/507231032.db2.gz CQEKYBUXBKYZHZ-LJQANCHMSA-N 0 3 356.422 3.205 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433541 507237910 /nfs/dbraw/zinc/23/79/10/507237910.db2.gz QXLLERVVZSCDNM-LJQANCHMSA-N 0 3 355.438 3.180 20 5 FGBDHN O=[N+]([O-])c1cc(CNCCC2(O)CCN(c3ccccc3)CC2)cs1 ZINC000601150139 507279641 /nfs/dbraw/zinc/27/96/41/507279641.db2.gz WQTKELMIUNPRMC-UHFFFAOYSA-N 0 3 361.467 3.168 20 5 FGBDHN Cc1ccc(CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000601164229 507284687 /nfs/dbraw/zinc/28/46/87/507284687.db2.gz QMOVLTNYZMWAQS-CQSZACIVSA-N 0 3 362.451 3.200 20 5 FGBDHN CN1CCC(n2cc(Nc3nccc4ccc([N+](=O)[O-])cc43)cn2)CC1 ZINC000601224825 507302195 /nfs/dbraw/zinc/30/21/95/507302195.db2.gz BHIGKGJWBAYAJA-UHFFFAOYSA-N 0 3 352.398 3.350 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CCOC2 ZINC000601303019 507328338 /nfs/dbraw/zinc/32/83/38/507328338.db2.gz BFPXRZAEGRUEDC-AWEZNQCLSA-N 0 3 369.421 3.174 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC(O)(C3CC3)C3CC3)cs2)c1 ZINC000594982373 507341796 /nfs/dbraw/zinc/34/17/96/507341796.db2.gz DCJYPNHQRSYIGO-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN Cc1oc2ccccc2c1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591760844 507350449 /nfs/dbraw/zinc/35/04/49/507350449.db2.gz DKVDJBZPVSCWRX-CQSZACIVSA-N 0 3 356.378 3.179 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595004189 507350741 /nfs/dbraw/zinc/35/07/41/507350741.db2.gz OYFCGVOTIIPULG-QLFBSQMISA-N 0 3 365.474 3.142 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNC(=O)c1cccs1 ZINC000595020155 507357627 /nfs/dbraw/zinc/35/76/27/507357627.db2.gz UWGMIHDFORTKAY-LBPRGKRZSA-N 0 3 363.439 3.136 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000595021796 507358789 /nfs/dbraw/zinc/35/87/89/507358789.db2.gz GCBWRTZJPOTNCI-DCGLDWPTSA-N 0 3 352.456 3.309 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2ccc(O)cc21 ZINC000595088629 507387074 /nfs/dbraw/zinc/38/70/74/507387074.db2.gz KNBJTQBDISQROP-KPZWWZAWSA-N 0 3 355.394 3.295 20 5 FGBDHN CC[C@@H](N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595095133 507388379 /nfs/dbraw/zinc/38/83/79/507388379.db2.gz FURWACFNHIGMCU-GUDVDZBRSA-N 0 3 359.470 3.279 20 5 FGBDHN C[C@@H](c1ccncc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185382 507398561 /nfs/dbraw/zinc/39/85/61/507398561.db2.gz HPLHCIPWPBSWFF-AWEZNQCLSA-N 0 3 366.425 3.139 20 5 FGBDHN CCOC(=O)CCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000610996483 507472465 /nfs/dbraw/zinc/47/24/65/507472465.db2.gz VGODHFYXOVEGSG-UHFFFAOYSA-N 0 3 350.415 3.029 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN(CCc1cncs1)[C@H]1CC[C@H](O)CC1 ZINC000592133007 507497689 /nfs/dbraw/zinc/49/76/89/507497689.db2.gz QZWXCSVFZWDPNC-WKILWMFISA-N 0 3 361.467 3.400 20 5 FGBDHN COc1cc(CNCC[C@H]2CC2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000598676502 507547276 /nfs/dbraw/zinc/54/72/76/507547276.db2.gz JFDAKGCSKAFATB-JTQLQIEISA-N 0 3 366.311 3.382 20 5 FGBDHN CCN1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536583 507548817 /nfs/dbraw/zinc/54/88/17/507548817.db2.gz ZWLCXNLDHLGWAW-LBPRGKRZSA-N 0 3 373.400 3.121 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702381 507637739 /nfs/dbraw/zinc/63/77/39/507637739.db2.gz JAUHJQKNHOAPSR-DLBZAZTESA-N 0 3 374.485 3.357 20 5 FGBDHN CCN(CC)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccsc1 ZINC000587197370 507707128 /nfs/dbraw/zinc/70/71/28/507707128.db2.gz GVSBESPHLZFDRB-MRXNPFEDSA-N 0 3 364.471 3.226 20 5 FGBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCC3(N(C)C)CCC3)cc2[N+](=O)[O-])C1 ZINC000615141719 507766693 /nfs/dbraw/zinc/76/66/93/507766693.db2.gz FUBSQJAFXRSAEA-OAHLLOKOSA-N 0 3 374.485 3.045 20 5 FGBDHN CC(C)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000615201826 507776406 /nfs/dbraw/zinc/77/64/06/507776406.db2.gz INRCPICOBTYHSC-UHFFFAOYSA-N 0 3 354.410 3.076 20 5 FGBDHN C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820254710 607089206 /nfs/dbraw/zinc/08/92/06/607089206.db2.gz VJGSTQWSSOOMAJ-UONOGXRCSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820254710 607089208 /nfs/dbraw/zinc/08/92/08/607089208.db2.gz VJGSTQWSSOOMAJ-UONOGXRCSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824606571 609314138 /nfs/dbraw/zinc/31/41/38/609314138.db2.gz QEBBUJSPPIKMTA-LLVKDONJSA-N 0 3 372.816 3.322 20 5 FGBDHN C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824606571 609314140 /nfs/dbraw/zinc/31/41/40/609314140.db2.gz QEBBUJSPPIKMTA-LLVKDONJSA-N 0 3 372.816 3.322 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000126150318 700744286 /nfs/dbraw/zinc/74/42/86/700744286.db2.gz OVWGJAKLMJUYHQ-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccsc1 ZINC000195156052 713546940 /nfs/dbraw/zinc/54/69/40/713546940.db2.gz AYPWSPYUWNGRSJ-INIZCTEOSA-N 0 3 362.455 3.051 20 5 FGBDHN CSc1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000619551441 714852087 /nfs/dbraw/zinc/85/20/87/714852087.db2.gz VIGINGUKOAQSNL-UHFFFAOYSA-N 0 3 360.435 3.420 20 5 FGBDHN COc1cc(F)c([N+](=O)[O-])c(N(C)CCCN(C)Cc2ccco2)c1 ZINC000804840198 724555633 /nfs/dbraw/zinc/55/56/33/724555633.db2.gz BNUITARMVKMEMF-UHFFFAOYSA-N 0 3 351.378 3.294 20 5 FGBDHN CC(COC(=O)C1(c2ccc(Br)cc2)CCCC1)[N+](=O)[O-] ZINC000813101529 726838990 /nfs/dbraw/zinc/83/89/90/726838990.db2.gz CXHVXWPXOTWEFV-LLVKDONJSA-N 0 3 356.216 3.469 20 5 FGBDHN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813104306 726839555 /nfs/dbraw/zinc/83/95/55/726839555.db2.gz MDSVFHLRICXKDM-VIFPVBQESA-N 0 3 363.370 3.357 20 5 FGBDHN CC(COC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813108302 726839747 /nfs/dbraw/zinc/83/97/47/726839747.db2.gz DBKBATBOLQUBGB-GFCCVEGCSA-N 0 3 352.387 3.175 20 5 FGBDHN CC(COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107842 726839851 /nfs/dbraw/zinc/83/98/51/726839851.db2.gz QYPHHIXJDOBIBA-RDBSUJKOSA-N 0 3 358.435 3.059 20 5 FGBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000817038761 727215346 /nfs/dbraw/zinc/21/53/46/727215346.db2.gz GQISXYFRDWZZLE-SFHVURJKSA-N 0 3 351.422 3.159 20 5 FGBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000819717918 727390237 /nfs/dbraw/zinc/39/02/37/727390237.db2.gz ADZJOLPHSYZHMD-TVQRCGJNSA-N 0 3 358.225 3.068 20 5 FGBDHN Cc1noc(C)c1CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873160 730904840 /nfs/dbraw/zinc/90/48/40/730904840.db2.gz RXKJAOXLRWVSNF-PIGZYNQJSA-N 0 3 350.346 3.313 20 5 FGBDHN Cc1nn(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1Cl ZINC000845875425 730905087 /nfs/dbraw/zinc/90/50/87/730905087.db2.gz MNYYHVWNHOMPQG-ZBEGNZNMSA-N 0 3 369.780 3.242 20 5 FGBDHN CNc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(Cl)n1 ZINC000845875961 730905100 /nfs/dbraw/zinc/90/51/00/730905100.db2.gz MILMPACKSOSNMX-PSLIRLAXSA-N 0 3 367.764 3.479 20 5 FGBDHN CC([C@H](OC(=O)C(F)(F)C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875679 730905108 /nfs/dbraw/zinc/90/51/08/730905108.db2.gz BDVHOEQOLGOYFQ-HZMBPMFUSA-N 0 3 361.316 3.137 20 5 FGBDHN CC([C@H](OC(=O)c1nc2c(s1)CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876457 730905413 /nfs/dbraw/zinc/90/54/13/730905413.db2.gz FPZUAXBFGLCWCC-XPTSAGLGSA-N 0 3 350.371 3.334 20 5 FGBDHN CCc1nc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845880368 730905806 /nfs/dbraw/zinc/90/58/06/730905806.db2.gz ZVVUYEYVPISEQZ-HWPZZCPQSA-N 0 3 352.387 3.337 20 5 FGBDHN CC([C@H](OC(=O)C[C@@H]1CSCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845881202 730905839 /nfs/dbraw/zinc/90/58/39/730905839.db2.gz ZJZYYPPHQVTCSF-HFAKWTLXSA-N 0 3 359.444 3.314 20 5 FGBDHN Cc1ncsc1CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884047 730906058 /nfs/dbraw/zinc/90/60/58/730906058.db2.gz WVUWISWYKHEKQF-MEDUHNTESA-N 0 3 352.387 3.473 20 5 FGBDHN CN(C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(F)cc1 ZINC000865453497 733203878 /nfs/dbraw/zinc/20/38/78/733203878.db2.gz FKCOZGLDMNIXNA-KRWDZBQOSA-N 0 3 351.353 3.080 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000872067901 735584131 /nfs/dbraw/zinc/58/41/31/735584131.db2.gz BXOHBJPTLHPEQH-MKBNYLNASA-N 0 3 356.488 3.125 20 5 FGBDHN Cc1csc(C[C@@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000886691840 739285449 /nfs/dbraw/zinc/28/54/49/739285449.db2.gz NRPWXPYWEVQAGW-YOEHRIQHSA-N 0 3 361.467 3.348 20 5 FGBDHN COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CCCOC1 ZINC000886791207 739300546 /nfs/dbraw/zinc/30/05/46/739300546.db2.gz ZRYNZUSJQAQQLC-ZENOOKHLSA-N 0 3 354.472 3.409 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000895537794 742424035 /nfs/dbraw/zinc/42/40/35/742424035.db2.gz UPCLHNRDDNXHOD-AWEZNQCLSA-N 0 3 354.834 3.314 20 5 FGBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000923035618 759054544 /nfs/dbraw/zinc/05/45/44/759054544.db2.gz MPYSWTSFGYQVCW-UONOGXRCSA-N 0 3 354.472 3.499 20 5 FGBDHN COC1([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000930755437 760687711 /nfs/dbraw/zinc/68/77/11/760687711.db2.gz GQOQUGNZZMPFON-LLVKDONJSA-N 0 3 373.247 3.031 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000054225071 205199076 /nfs/dbraw/zinc/19/90/76/205199076.db2.gz NDNVMLGFIFPMKB-ZBFHGGJFSA-N 0 3 369.421 3.169 20 5 FGBDHN CC(C)COC[C@@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102424224 257350445 /nfs/dbraw/zinc/35/04/45/257350445.db2.gz MWECPNTYXQIFOT-AWEZNQCLSA-N 0 3 364.467 3.446 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000068589974 493845090 /nfs/dbraw/zinc/84/50/90/493845090.db2.gz FEUDBPXKCBWOST-UHFFFAOYSA-N 0 3 374.416 3.007 20 5 FGBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000031662732 493954309 /nfs/dbraw/zinc/95/43/09/493954309.db2.gz RQQLYKNZZCWZEY-UHFFFAOYSA-N 0 3 354.410 3.165 20 5 FGBDHN COc1ccc(CNC[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061002780 493961309 /nfs/dbraw/zinc/96/13/09/493961309.db2.gz MWTMQYZNJBYPBO-SFHVURJKSA-N 0 3 372.421 3.451 20 5 FGBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051469703 493972725 /nfs/dbraw/zinc/97/27/25/493972725.db2.gz YMVYGCWCEWMCOK-HNNXBMFYSA-N 0 3 374.466 3.275 20 5 FGBDHN CC(=O)c1ccc(NCc2ccc(OCCN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000052407929 494022832 /nfs/dbraw/zinc/02/28/32/494022832.db2.gz JTTWROGWNPEWJD-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052894906 494073219 /nfs/dbraw/zinc/07/32/19/494073219.db2.gz QJZVXHCKRHLSSY-HNNXBMFYSA-N 0 3 364.405 3.080 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000087101316 494172063 /nfs/dbraw/zinc/17/20/63/494172063.db2.gz MRPQBQHCSOMVAA-IBGZPJMESA-N 0 3 367.449 3.308 20 5 FGBDHN O=C(c1cccc(CN2CCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349608 494228949 /nfs/dbraw/zinc/22/89/49/494228949.db2.gz AXTNZVPMPIMOBD-UHFFFAOYSA-N 0 3 365.433 3.389 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000054463604 494238607 /nfs/dbraw/zinc/23/86/07/494238607.db2.gz IVFKNMIQMFYQFQ-OAHLLOKOSA-N 0 3 373.478 3.219 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088608410 494253305 /nfs/dbraw/zinc/25/33/05/494253305.db2.gz IFDDYPXIBLHJJI-HNNXBMFYSA-N 0 3 374.441 3.331 20 5 FGBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000065939186 494258981 /nfs/dbraw/zinc/25/89/81/494258981.db2.gz GCTRVVGRMKOZMZ-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN Cc1c(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000043348016 494290276 /nfs/dbraw/zinc/29/02/76/494290276.db2.gz GTYLNTZRJSEALB-INIZCTEOSA-N 0 3 356.426 3.198 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000016599943 494395321 /nfs/dbraw/zinc/39/53/21/494395321.db2.gz CJBCTAGRGJANJN-KRWDZBQOSA-N 0 3 359.451 3.349 20 5 FGBDHN NC(=O)c1ccc(CN(CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000055901159 494425021 /nfs/dbraw/zinc/42/50/21/494425021.db2.gz FHRVSHHGDTYLOI-UHFFFAOYSA-N 0 3 369.421 3.127 20 5 FGBDHN O=C(CC1CCCC1)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066877481 494431202 /nfs/dbraw/zinc/43/12/02/494431202.db2.gz QTKCGZJUDUIGMC-UHFFFAOYSA-N 0 3 359.470 3.298 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000079553109 494478857 /nfs/dbraw/zinc/47/88/57/494478857.db2.gz SAMSBTVLMAURLN-UKRRQHHQSA-N 0 3 359.451 3.439 20 5 FGBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079561183 494482826 /nfs/dbraw/zinc/48/28/26/494482826.db2.gz OOFROARYOSOGSI-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN Cc1ccc(CNCc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000067249173 494500374 /nfs/dbraw/zinc/50/03/74/494500374.db2.gz RJYPFQYLNOZRIE-UHFFFAOYSA-N 0 3 363.417 3.403 20 5 FGBDHN C[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000090939005 494505444 /nfs/dbraw/zinc/50/54/44/494505444.db2.gz XRBJNGSKVIMPGT-UONOGXRCSA-N 0 3 352.394 3.044 20 5 FGBDHN Cc1c(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000056546315 494523855 /nfs/dbraw/zinc/52/38/55/494523855.db2.gz WRJVOYBXCDGZBH-MRXNPFEDSA-N 0 3 356.426 3.198 20 5 FGBDHN CCN(CC)[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccco1 ZINC000067383228 494527317 /nfs/dbraw/zinc/52/73/17/494527317.db2.gz FBIJCGZNKMKELM-MRXNPFEDSA-N 0 3 360.414 3.042 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000056889208 494585451 /nfs/dbraw/zinc/58/54/51/494585451.db2.gz GIKIBMFIXSQFEP-OAHLLOKOSA-N 0 3 374.441 3.331 20 5 FGBDHN COc1ccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000121131501 494610622 /nfs/dbraw/zinc/61/06/22/494610622.db2.gz KUCBTOGWSRPCOP-ZDUSSCGKSA-N 0 3 373.409 3.119 20 5 FGBDHN Cn1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172337 494630041 /nfs/dbraw/zinc/63/00/41/494630041.db2.gz BLGMSOBXVVTXSQ-HNNXBMFYSA-N 0 3 366.425 3.098 20 5 FGBDHN C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000121220328 494652493 /nfs/dbraw/zinc/65/24/93/494652493.db2.gz NODWQZSLDQXQMC-VIFPVBQESA-N 0 3 355.188 3.088 20 5 FGBDHN CCN(CC)Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000024927315 494681193 /nfs/dbraw/zinc/68/11/93/494681193.db2.gz VGPKFLWKKGTLLL-UHFFFAOYSA-N 0 3 371.393 3.418 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H]3CCN(CC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000108424293 494702967 /nfs/dbraw/zinc/70/29/67/494702967.db2.gz HKYZXLRNGZUMPU-HNNXBMFYSA-N 0 3 371.437 3.437 20 5 FGBDHN Cc1ccnc(N(C)CCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000092695956 494714375 /nfs/dbraw/zinc/71/43/75/494714375.db2.gz GUEHGNZTGCJOPI-UHFFFAOYSA-N 0 3 355.442 3.436 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000025420814 494738512 /nfs/dbraw/zinc/73/85/12/494738512.db2.gz XKDWJUIXNLZPQM-RDTXWAMCSA-N 0 3 373.478 3.495 20 5 FGBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000091986214 494745106 /nfs/dbraw/zinc/74/51/06/494745106.db2.gz ZOUJVXDZLMWJKN-GFCCVEGCSA-N 0 3 362.382 3.104 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068134854 494774059 /nfs/dbraw/zinc/77/40/59/494774059.db2.gz YVDRDTAHNAENRC-MRXNPFEDSA-N 0 3 363.483 3.164 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025858535 494784318 /nfs/dbraw/zinc/78/43/18/494784318.db2.gz XOPNDMLMANDTKD-IBGZPJMESA-N 0 3 371.437 3.416 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(Cn3ccnn3)CC2)o1 ZINC000092098310 494787427 /nfs/dbraw/zinc/78/74/27/494787427.db2.gz FYZYXJGMILLIRE-UHFFFAOYSA-N 0 3 367.409 3.359 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000580366715 505741832 /nfs/dbraw/zinc/74/18/32/505741832.db2.gz LZRSWAPYRBLXMV-CMPLNLGQSA-N 0 3 351.428 3.417 20 5 FGBDHN Cc1cccc(OCCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000026337249 494818569 /nfs/dbraw/zinc/81/85/69/494818569.db2.gz FDAOLJCQISZMQN-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000126709221 494824007 /nfs/dbraw/zinc/82/40/07/494824007.db2.gz TWACBMRICNUKDV-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000026713162 494834587 /nfs/dbraw/zinc/83/45/87/494834587.db2.gz OWBLLQDTXITDHP-WBMJQRKESA-N 0 3 350.802 3.339 20 5 FGBDHN COc1cc(CN(C)[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000132181811 494834757 /nfs/dbraw/zinc/83/47/57/494834757.db2.gz BSZGFDSNNYIUAX-SFHVURJKSA-N 0 3 372.421 3.403 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 ZINC000132307366 494855216 /nfs/dbraw/zinc/85/52/16/494855216.db2.gz LZOPYMORROMTAD-ZBFHGGJFSA-N 0 3 357.410 3.313 20 5 FGBDHN O=[N+]([O-])c1ccc(CCNCc2cc(O)ccc2Br)cc1 ZINC000127053354 494886227 /nfs/dbraw/zinc/88/62/27/494886227.db2.gz VPMXDXHYYMCNBW-UHFFFAOYSA-N 0 3 351.200 3.395 20 5 FGBDHN COc1cc(CN(CCO)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000110035964 494942415 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495430712 /nfs/dbraw/zinc/43/07/12/495430712.db2.gz WWYTVWYUQIKBPW-KRWDZBQOSA-N 0 3 362.451 3.198 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H]3CN3CCOCC3)o2)c1 ZINC000125695307 495484584 /nfs/dbraw/zinc/48/45/84/495484584.db2.gz IODYBEJTJNKKMN-GOSISDBHSA-N 0 3 371.437 3.151 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115438669 495504329 /nfs/dbraw/zinc/50/43/29/495504329.db2.gz IBAJXGIHPWHLDD-ZDUSSCGKSA-N 0 3 374.466 3.132 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000179314747 495539216 /nfs/dbraw/zinc/53/92/16/495539216.db2.gz NCTMNNNOWBNCIC-OAHLLOKOSA-N 0 3 361.829 3.117 20 5 FGBDHN COc1cccc(CCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173470125 495544432 /nfs/dbraw/zinc/54/44/32/495544432.db2.gz CGXUFEANSORODN-INIZCTEOSA-N 0 3 356.426 3.117 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN(Cc2cccc(Br)c2)C2CC2)n1 ZINC000176206112 495546173 /nfs/dbraw/zinc/54/61/73/495546173.db2.gz QRFRNDLDFMMXDY-UHFFFAOYSA-N 0 3 365.231 3.218 20 5 FGBDHN CC(C)Oc1ccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182396724 495546506 /nfs/dbraw/zinc/54/65/06/495546506.db2.gz OLTNNOQWGDJYSO-RDJZCZTQSA-N 0 3 374.437 3.473 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N2CCCC2)cc1 ZINC000176274053 495573948 /nfs/dbraw/zinc/57/39/48/495573948.db2.gz INTXVVIQJRJNOS-GOSISDBHSA-N 0 3 368.437 3.052 20 5 FGBDHN CN(C)CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000179396184 495574260 /nfs/dbraw/zinc/57/42/60/495574260.db2.gz AMNLYMZGIGOKKP-UHFFFAOYSA-N 0 3 372.469 3.342 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000154325678 495580920 /nfs/dbraw/zinc/58/09/20/495580920.db2.gz OEWLUSHTQRIIQJ-UHFFFAOYSA-N 0 3 372.400 3.118 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000185524168 495610168 /nfs/dbraw/zinc/61/01/68/495610168.db2.gz MDQNYVYDVRPTOR-LMMKCTJWSA-N 0 3 359.470 3.106 20 5 FGBDHN COc1ccccc1CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182617008 495637982 /nfs/dbraw/zinc/63/79/82/495637982.db2.gz RYIHSOCQVVDRJN-INIZCTEOSA-N 0 3 356.426 3.117 20 5 FGBDHN Cc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000154584901 495662630 /nfs/dbraw/zinc/66/26/30/495662630.db2.gz RHSCQVICJBULKM-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000179708236 495699212 /nfs/dbraw/zinc/69/92/12/495699212.db2.gz PMROAQSHPBHBPE-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN COc1ccccc1-c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000151291757 495796759 /nfs/dbraw/zinc/79/67/59/495796759.db2.gz KVTJWEWLEFNOTR-UHFFFAOYSA-N 0 3 352.394 3.257 20 5 FGBDHN Cc1c(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000159947052 495848347 /nfs/dbraw/zinc/84/83/47/495848347.db2.gz WBGCAAPFMRBSDA-QGZVFWFLSA-N 0 3 373.478 3.461 20 5 FGBDHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000171454056 495881060 /nfs/dbraw/zinc/88/10/60/495881060.db2.gz NCAXDUXRPSRSKY-HNNXBMFYSA-N 0 3 372.450 3.029 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000183359674 495946320 /nfs/dbraw/zinc/94/63/20/495946320.db2.gz WNBPFKKWMRTBOD-CABCVRRESA-N 0 3 362.451 3.150 20 5 FGBDHN O=C(CN[C@H](Cc1ccccc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183390069 495960276 /nfs/dbraw/zinc/96/02/76/495960276.db2.gz VRWSHHZMLRIDRB-LJQANCHMSA-N 0 3 365.433 3.095 20 5 FGBDHN COc1cc(CN2CCCN3c4ccccc4C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000577904439 505815608 /nfs/dbraw/zinc/81/56/08/505815608.db2.gz GEWSBVZPWOIVNZ-QGZVFWFLSA-N 0 3 353.422 3.240 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420276 495990212 /nfs/dbraw/zinc/99/02/12/495990212.db2.gz DTZHOVDWBMIAKH-BLLLJJGKSA-N 0 3 350.802 3.339 20 5 FGBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000180422668 495991002 /nfs/dbraw/zinc/99/10/02/495991002.db2.gz BGANJOAAXNEGGX-UHFFFAOYSA-N 0 3 374.466 3.430 20 5 FGBDHN C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000171850936 496062550 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C[C@H]1C[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000175306368 496332071 /nfs/dbraw/zinc/33/20/71/496332071.db2.gz NZGMJJQSDBGPJJ-WDEREUQCSA-N 0 3 372.372 3.143 20 5 FGBDHN C[C@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000162315695 496335151 /nfs/dbraw/zinc/33/51/51/496335151.db2.gz KSWRHPUMFVOROB-OAQYLSRUSA-N 0 3 367.449 3.308 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000162541900 496370446 /nfs/dbraw/zinc/37/04/46/496370446.db2.gz IXAYWZYRISDZKN-MRXNPFEDSA-N 0 3 356.426 3.198 20 5 FGBDHN O=C(CCN1CCC[C@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157013382 496386277 /nfs/dbraw/zinc/38/62/77/496386277.db2.gz SSPLEEUXFHKDRI-ZDUSSCGKSA-N 0 3 360.439 3.260 20 5 FGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccncc1 ZINC000181457779 496404035 /nfs/dbraw/zinc/40/40/35/496404035.db2.gz AHOWHLMFXQDPQE-UHFFFAOYSA-N 0 3 352.394 3.362 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000157162668 496419289 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3.423 20 5 FGBDHN C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184998750 496616439 /nfs/dbraw/zinc/61/64/39/496616439.db2.gz IHJHDEWYAJOJNB-AWEZNQCLSA-N 0 3 363.433 3.314 20 5 FGBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1COc2ccccc21 ZINC000179006139 496642746 /nfs/dbraw/zinc/64/27/46/496642746.db2.gz BHWJVOHTXYBTEN-SJKOYZFVSA-N 0 3 356.378 3.116 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000179181098 496702905 /nfs/dbraw/zinc/70/29/05/496702905.db2.gz OZNZRDPKZMWGPD-BEFAXECRSA-N 0 3 359.470 3.442 20 5 FGBDHN COc1cccc([C@H]2CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182200246 496705530 /nfs/dbraw/zinc/70/55/30/496705530.db2.gz GUCBFYAPJYIWPU-FUHWJXTLSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000182253380 496720433 /nfs/dbraw/zinc/72/04/33/496720433.db2.gz MIWTYBWBEGJMSL-SCLBCKFNSA-N 0 3 359.401 3.257 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000247076602 496772493 /nfs/dbraw/zinc/77/24/93/496772493.db2.gz XHHSGXURVGYNCE-SWECLWCZSA-N 0 3 370.453 3.110 20 5 FGBDHN Cc1ccccc1C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000188934911 496953158 /nfs/dbraw/zinc/95/31/58/496953158.db2.gz SQYPDEBIFDSHPT-HNNXBMFYSA-N 0 3 366.364 3.198 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000195625076 496955248 /nfs/dbraw/zinc/95/52/48/496955248.db2.gz IQOPPFMLRDXKET-UPJWGTAASA-N 0 3 353.850 3.344 20 5 FGBDHN CSc1ccc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195625257 496955508 /nfs/dbraw/zinc/95/55/08/496955508.db2.gz UQGMZFAASXJUOV-MJBXVCDLSA-N 0 3 365.499 3.413 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc([N+](=O)[O-])c1C ZINC000188956940 496959887 /nfs/dbraw/zinc/95/98/87/496959887.db2.gz SUKLVYKNRYLYRA-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192140270 497009122 /nfs/dbraw/zinc/00/91/22/497009122.db2.gz WGWJIYATSQXVFE-QZTJIDSGSA-N 0 3 364.348 3.372 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192140453 497009822 /nfs/dbraw/zinc/00/98/22/497009822.db2.gz MFPBTLAPHSAWLR-ZWKOTPCHSA-N 0 3 364.348 3.372 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356382 497086765 /nfs/dbraw/zinc/08/67/65/497086765.db2.gz FJHMKYVYMAMXTB-NRFANRHFSA-N 0 3 369.465 3.284 20 5 FGBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189486043 497133868 /nfs/dbraw/zinc/13/38/68/497133868.db2.gz LBOUKSNZQXPKMK-CVEARBPZSA-N 0 3 351.472 3.212 20 5 FGBDHN CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000270518478 497144138 /nfs/dbraw/zinc/14/41/38/497144138.db2.gz ZMDAMVPTJSJSTK-UHFFFAOYSA-N 0 3 366.893 3.243 20 5 FGBDHN Cc1cccc(OC[C@@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192730446 497197716 /nfs/dbraw/zinc/19/77/16/497197716.db2.gz RBKWHZCWPWOIBV-PXNSSMCTSA-N 0 3 356.422 3.310 20 5 FGBDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000237254928 497209556 /nfs/dbraw/zinc/20/95/56/497209556.db2.gz PPIVJXBVWRIHEK-ZDUSSCGKSA-N 0 3 373.409 3.119 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)CCC2 ZINC000278762663 497212460 /nfs/dbraw/zinc/21/24/60/497212460.db2.gz OSWHMSJFCOLKRG-PWIZWCRZSA-N 0 3 356.422 3.046 20 5 FGBDHN CCc1[n-]nc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000192792316 497214629 /nfs/dbraw/zinc/21/46/29/497214629.db2.gz HCSRPRIVTLJMQL-UHFFFAOYSA-N 0 3 357.414 3.037 20 5 FGBDHN C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237558164 497254659 /nfs/dbraw/zinc/25/46/59/497254659.db2.gz FJRMPPZJHXEJGX-GJZGRUSLSA-N 0 3 368.437 3.029 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000193200920 497322664 /nfs/dbraw/zinc/32/26/64/497322664.db2.gz FRYGUIZLSBAPBQ-SFHVURJKSA-N 0 3 368.437 3.059 20 5 FGBDHN CN(C)CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275485132 497341874 /nfs/dbraw/zinc/34/18/74/497341874.db2.gz NYJYCBXEZGWZOY-UHFFFAOYSA-N 0 3 359.376 3.053 20 5 FGBDHN COc1ccc([C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344899 497356000 /nfs/dbraw/zinc/35/60/00/497356000.db2.gz RFLHCYMQZFINLB-LJQANCHMSA-N 0 3 355.394 3.283 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000275547621 497361367 /nfs/dbraw/zinc/36/13/67/497361367.db2.gz BYFYBIRZNRHGCH-UHFFFAOYSA-N 0 3 366.421 3.292 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275755582 497423423 /nfs/dbraw/zinc/42/34/23/497423423.db2.gz YVFDXKOUCYOZPQ-LLVKDONJSA-N 0 3 371.387 3.053 20 5 FGBDHN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000193655434 497438760 /nfs/dbraw/zinc/43/87/60/497438760.db2.gz KFAFNSUHLFRWDO-GTNSWQLSSA-N 0 3 363.364 3.294 20 5 FGBDHN COc1cccc2c1CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193720258 497458179 /nfs/dbraw/zinc/45/81/79/497458179.db2.gz KPUSJWRGUGAZLG-UHFFFAOYSA-N 0 3 369.421 3.033 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000581106204 505910931 /nfs/dbraw/zinc/91/09/31/505910931.db2.gz DHCDWPISIVJZGC-HNNXBMFYSA-N 0 3 373.428 3.428 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(CN2CCCC2)c1 ZINC000193883100 497510726 /nfs/dbraw/zinc/51/07/26/497510726.db2.gz ARQUBXXLSIIBOD-UHFFFAOYSA-N 0 3 353.422 3.463 20 5 FGBDHN CCOC(=O)c1csc(CCNCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000276227293 497523642 /nfs/dbraw/zinc/52/36/42/497523642.db2.gz OCGXBWJGNCKISS-UHFFFAOYSA-N 0 3 369.830 3.214 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506671 497569405 /nfs/dbraw/zinc/56/94/05/497569405.db2.gz YQCWGJBVYYYVQP-KDOFPFPSSA-N 0 3 371.412 3.374 20 5 FGBDHN COc1cc(C[NH2+]CCc2ccc(Cl)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC000578366228 505923906 /nfs/dbraw/zinc/92/39/06/505923906.db2.gz RUJRVBXKSAMAOQ-UHFFFAOYSA-N 0 3 366.801 3.303 20 5 FGBDHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000246221494 497666633 /nfs/dbraw/zinc/66/66/33/497666633.db2.gz DPEPJIDRRGJPCQ-QZTJIDSGSA-N 0 3 372.421 3.483 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000246240522 497671741 /nfs/dbraw/zinc/67/17/41/497671741.db2.gz IVCXZTNRVLSRIJ-FZMZJTMJSA-N 0 3 371.359 3.170 20 5 FGBDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114347 497681029 /nfs/dbraw/zinc/68/10/29/497681029.db2.gz JVICTXGWFXOTRE-SJCJKPOMSA-N 0 3 358.467 3.291 20 5 FGBDHN COc1cc(CNC[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272672333 497697931 /nfs/dbraw/zinc/69/79/31/497697931.db2.gz UBUDIEZSRYAEBD-NEPJUHHUSA-N 0 3 374.384 3.152 20 5 FGBDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277041444 497723744 /nfs/dbraw/zinc/72/37/44/497723744.db2.gz TZNBLRNHDQYNBF-VCTAVGKDSA-N 0 3 355.822 3.122 20 5 FGBDHN CCOc1ccc([C@@H](C)NC2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277099625 497742084 /nfs/dbraw/zinc/74/20/84/497742084.db2.gz LHHSVPVFJXWVGR-CQSZACIVSA-N 0 3 371.441 3.103 20 5 FGBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN(C2CCC2)C1 ZINC000292302852 497960640 /nfs/dbraw/zinc/96/06/40/497960640.db2.gz ICCZDYUYDKGPPN-CQSZACIVSA-N 0 3 368.437 3.089 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCSc2ccccc21 ZINC000578549998 505965936 /nfs/dbraw/zinc/96/59/36/505965936.db2.gz KPWYPNYPTYMPJP-UKRRQHHQSA-N 0 3 360.435 3.161 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCSc2ccccc21 ZINC000578549997 505966037 /nfs/dbraw/zinc/96/60/37/505966037.db2.gz KPWYPNYPTYMPJP-HIFRSBDPSA-N 0 3 360.435 3.161 20 5 FGBDHN O=[N+]([O-])c1ccc(Br)cc1N1CCN(C2CCCC2)CC1 ZINC000301328714 498057826 /nfs/dbraw/zinc/05/78/26/498057826.db2.gz CSZWCRLNFWOGBP-UHFFFAOYSA-N 0 3 354.248 3.422 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)c(Br)c1 ZINC000301332776 498060598 /nfs/dbraw/zinc/06/05/98/498060598.db2.gz FGMCZZNUEMGFIO-UHFFFAOYSA-N 0 3 363.215 3.079 20 5 FGBDHN CC1=C[C@@H](C)C[C@@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000578585166 505973353 /nfs/dbraw/zinc/97/33/53/505973353.db2.gz WHVWSKXEDWYKOO-NVXWUHKLSA-N 0 3 357.454 3.345 20 5 FGBDHN CC(C)N1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000292632538 498086812 /nfs/dbraw/zinc/08/68/12/498086812.db2.gz YVMSOTNLVXKEIT-CQSZACIVSA-N 0 3 359.430 3.122 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2C=CCCC2)c1 ZINC000569614525 505976436 /nfs/dbraw/zinc/97/64/36/505976436.db2.gz ULJYYVAWVSDFBS-LBPRGKRZSA-N 0 3 358.179 3.398 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000296649778 498138252 /nfs/dbraw/zinc/13/82/52/498138252.db2.gz FFJFTTITRAZSBM-ZDUSSCGKSA-N 0 3 350.394 3.134 20 5 FGBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301507209 498139900 /nfs/dbraw/zinc/13/99/00/498139900.db2.gz ABOQTWSFADMECT-MRXNPFEDSA-N 0 3 360.458 3.117 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293031565 498242161 /nfs/dbraw/zinc/24/21/61/498242161.db2.gz AAJOPMJQMPWJOG-NSHDSACASA-N 0 3 359.348 3.027 20 5 FGBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000289743655 498272746 /nfs/dbraw/zinc/27/27/46/498272746.db2.gz JUHFGYBFGKLSKM-ZDUSSCGKSA-N 0 3 369.849 3.466 20 5 FGBDHN CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccccc1 ZINC000301825794 498281070 /nfs/dbraw/zinc/28/10/70/498281070.db2.gz DWYIDZRMRCWHHT-YWZLYKJASA-N 0 3 366.421 3.337 20 5 FGBDHN Cc1cc(N(C)[C@H]2CCN(C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833378 498285580 /nfs/dbraw/zinc/28/55/80/498285580.db2.gz SCEDEBRVUKMZCI-GUYCJALGSA-N 0 3 355.442 3.137 20 5 FGBDHN O=[N+]([O-])c1ccc(Br)cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301873133 498305854 /nfs/dbraw/zinc/30/58/54/498305854.db2.gz LFNWJONZUAUVOA-CYBMUJFWSA-N 0 3 370.247 3.023 20 5 FGBDHN CCc1nn(C)c(NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000301934662 498335538 /nfs/dbraw/zinc/33/55/38/498335538.db2.gz OIOPQXOYUVZWON-UHFFFAOYSA-N 0 3 367.519 3.054 20 5 FGBDHN CCOc1cc(CN2CCC[C@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190726 498343702 /nfs/dbraw/zinc/34/37/02/498343702.db2.gz IOMWSVWLIHSOER-OAHLLOKOSA-N 0 3 358.442 3.182 20 5 FGBDHN CN1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000361828850 498436920 /nfs/dbraw/zinc/43/69/20/498436920.db2.gz IVNVQTHFEUWHNQ-CXAGYDPISA-N 0 3 374.466 3.250 20 5 FGBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000286764467 498501423 /nfs/dbraw/zinc/50/14/23/498501423.db2.gz JVTZMGOWYJMIBO-LJQANCHMSA-N 0 3 371.437 3.415 20 5 FGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603982 498508106 /nfs/dbraw/zinc/50/81/06/498508106.db2.gz HHSRBHMIRUJPCJ-GWCFXTLKSA-N 0 3 359.348 3.026 20 5 FGBDHN CC(C)c1nccn1[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781609 498552549 /nfs/dbraw/zinc/55/25/49/498552549.db2.gz OEUIBQYGZXYKLJ-ROUUACIJSA-N 0 3 358.442 3.285 20 5 FGBDHN C[C@@H]1CN(CC2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000332094759 498559798 /nfs/dbraw/zinc/55/97/98/498559798.db2.gz BKGYBVQVTQCCNJ-GASCZTMLSA-N 0 3 365.449 3.055 20 5 FGBDHN Cc1c(CN2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108138 498563440 /nfs/dbraw/zinc/56/34/40/498563440.db2.gz HOACVHRIDWSUHU-IYBDPMFKSA-N 0 3 361.486 3.224 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282649428 498596905 /nfs/dbraw/zinc/59/69/05/498596905.db2.gz HRIMNLXQHVJWAJ-UHFFFAOYSA-N 0 3 370.453 3.405 20 5 FGBDHN COc1cc(C)c(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000302978692 498636021 /nfs/dbraw/zinc/63/60/21/498636021.db2.gz URDZMFJQGWPOKW-UHFFFAOYSA-N 0 3 360.410 3.431 20 5 FGBDHN CNC(=O)[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000578987635 506067845 /nfs/dbraw/zinc/06/78/45/506067845.db2.gz AAZCMHVOOAETBX-YOEHRIQHSA-N 0 3 373.428 3.298 20 5 FGBDHN COCCOCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000572888803 506076527 /nfs/dbraw/zinc/07/65/27/506076527.db2.gz LGTCTOTVIWDVQK-UHFFFAOYSA-N 0 3 350.440 3.418 20 5 FGBDHN Cc1ccc(NCCCNC(=O)[C@H](C)N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000303792835 498715755 /nfs/dbraw/zinc/71/57/55/498715755.db2.gz KDKVYDPUIQPTMW-INIZCTEOSA-N 0 3 362.474 3.086 20 5 FGBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287330880 498719521 /nfs/dbraw/zinc/71/95/21/498719521.db2.gz VLELGULZCWESLU-XHDPSFHLSA-N 0 3 371.359 3.312 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283001651 498741315 /nfs/dbraw/zinc/74/13/15/498741315.db2.gz NYLKFLDHRCOHJR-KRWDZBQOSA-N 0 3 354.410 3.299 20 5 FGBDHN Cc1c(CNC[C@H](O)COc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000326405961 498842889 /nfs/dbraw/zinc/84/28/89/498842889.db2.gz RKZBAIMKOHHEMP-AWEZNQCLSA-N 0 3 350.802 3.086 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCc2c1cccc2Cl ZINC000579156623 506105688 /nfs/dbraw/zinc/10/56/88/506105688.db2.gz FQMBDSWQCOFTKX-WBMJQRKESA-N 0 3 362.813 3.265 20 5 FGBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291372755 498915122 /nfs/dbraw/zinc/91/51/22/498915122.db2.gz APUSQSZMJFTEKK-SECBINFHSA-N 0 3 358.225 3.116 20 5 FGBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc([N+](=O)[O-])c1 ZINC000372519998 499137755 /nfs/dbraw/zinc/13/77/55/499137755.db2.gz DJXSZGDSNMCQIV-LPHOPBHVSA-N 0 3 368.437 3.063 20 5 FGBDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000372596920 499151399 /nfs/dbraw/zinc/15/13/99/499151399.db2.gz ZSGDFMNXFPQOEA-HKUYNNGSSA-N 0 3 368.437 3.063 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368593573 499311719 /nfs/dbraw/zinc/31/17/19/499311719.db2.gz UAERHHSYJGAGAK-HKUYNNGSSA-N 0 3 360.502 3.065 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](c4nnc[nH]4)C3)o2)cc1 ZINC000371335918 499312538 /nfs/dbraw/zinc/31/25/38/499312538.db2.gz MNBVVWNJSFUQCM-CQSZACIVSA-N 0 3 353.382 3.353 20 5 FGBDHN Cc1c([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000371377532 499317341 /nfs/dbraw/zinc/31/73/41/499317341.db2.gz DBAHYROFSFLOQG-GOSISDBHSA-N 0 3 371.441 3.111 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000371488138 499333272 /nfs/dbraw/zinc/33/32/72/499333272.db2.gz JDOIJTYYIOYOFS-CZUORRHYSA-N 0 3 363.483 3.262 20 5 FGBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000368930283 499347691 /nfs/dbraw/zinc/34/76/91/499347691.db2.gz KKUSGPXJLIMEAH-VOTSOKGWSA-N 0 3 366.421 3.130 20 5 FGBDHN CCc1nc(CN2CCC[C@H](N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238162 499381749 /nfs/dbraw/zinc/38/17/49/499381749.db2.gz RIPDHLJJTTWCRC-PBHICJAKSA-N 0 3 373.457 3.198 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386271 506145351 /nfs/dbraw/zinc/14/53/51/506145351.db2.gz ISPNCMTZICLFFY-CRAIPNDOSA-N 0 3 371.437 3.150 20 5 FGBDHN CN1CC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369567170 499418931 /nfs/dbraw/zinc/41/89/31/499418931.db2.gz GXALLRVSEKLFPQ-KGYUPJBRSA-N 0 3 371.462 3.479 20 5 FGBDHN Cc1c(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568519 499419219 /nfs/dbraw/zinc/41/92/19/499419219.db2.gz LFKCXXXOZCKJCE-CXAGYDPISA-N 0 3 359.451 3.388 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(Cc2ccncc2)CC1 ZINC000373786796 499487901 /nfs/dbraw/zinc/48/79/01/499487901.db2.gz HBNXPTUDTMLINA-UHFFFAOYSA-N 0 3 370.453 3.095 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000375238588 499498022 /nfs/dbraw/zinc/49/80/22/499498022.db2.gz ROCWEALHNDZVPY-GOSISDBHSA-N 0 3 357.454 3.126 20 5 FGBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411423122 499738257 /nfs/dbraw/zinc/73/82/57/499738257.db2.gz MFWBTMRYMLUYCJ-MRXNPFEDSA-N 0 3 357.414 3.100 20 5 FGBDHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n(C)n1 ZINC000570394213 506157763 /nfs/dbraw/zinc/15/77/63/506157763.db2.gz ZHXVUWBLFJPTNR-JKSUJKDBSA-N 0 3 357.458 3.265 20 5 FGBDHN COc1cc(CN[C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411940986 499805092 /nfs/dbraw/zinc/80/50/92/499805092.db2.gz GSQLCUDSYGULGI-DYZYQPBXSA-N 0 3 374.384 3.498 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412072614 499820650 /nfs/dbraw/zinc/82/06/50/499820650.db2.gz LGLNMYYWPPHIOT-CVEARBPZSA-N 0 3 363.458 3.414 20 5 FGBDHN CNCc1ccccc1NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000415913743 499927719 /nfs/dbraw/zinc/92/77/19/499927719.db2.gz RCODEOXJBHETOK-UHFFFAOYSA-N 0 3 371.441 3.246 20 5 FGBDHN NC(=O)[C@H]1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000421362625 500027339 /nfs/dbraw/zinc/02/73/39/500027339.db2.gz NTIVBBNJWGUYHQ-JOCQHMNTSA-N 0 3 374.466 3.100 20 5 FGBDHN CC(C)(NCCC(=O)N1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429236536 500030042 /nfs/dbraw/zinc/03/00/42/500030042.db2.gz MEHUHXYKHQYLFF-UHFFFAOYSA-N 0 3 353.422 3.399 20 5 FGBDHN CCC1(CC)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1OC ZINC000429288165 500043012 /nfs/dbraw/zinc/04/30/12/500043012.db2.gz OCEXKSZSKWPALI-GJZGRUSLSA-N 0 3 369.849 3.370 20 5 FGBDHN Cc1nccn1CCCN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420876 500100521 /nfs/dbraw/zinc/10/05/21/500100521.db2.gz MXOSEYMZPZQICO-UHFFFAOYSA-N 0 3 367.247 3.384 20 5 FGBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425432603 500104867 /nfs/dbraw/zinc/10/48/67/500104867.db2.gz LCUGMFNGXDCBRE-UWVGGRQHSA-N 0 3 359.220 3.035 20 5 FGBDHN COC(=O)CC1(NCc2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000425469761 500115785 /nfs/dbraw/zinc/11/57/85/500115785.db2.gz FCRWYRXMZUREOU-UHFFFAOYSA-N 0 3 371.231 3.323 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000421750676 500139707 /nfs/dbraw/zinc/13/97/07/500139707.db2.gz VULNUNMCZJCLNN-KRWDZBQOSA-N 0 3 355.438 3.114 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430084998 500190290 /nfs/dbraw/zinc/19/02/90/500190290.db2.gz LMXVEUDGZDXNGL-RVFJIUOTSA-N 0 3 366.417 3.425 20 5 FGBDHN COc1ccc(CC[C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1O ZINC000426148295 500241221 /nfs/dbraw/zinc/24/12/21/500241221.db2.gz KJFOWYPWEMXPIF-CYBMUJFWSA-N 0 3 360.410 3.429 20 5 FGBDHN Cc1nc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000582318478 506185549 /nfs/dbraw/zinc/18/55/49/506185549.db2.gz VCUPMXXSOITEEQ-HXUWFJFHSA-N 0 3 352.438 3.401 20 5 FGBDHN CC(C)(C)N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC000431267947 500356982 /nfs/dbraw/zinc/35/69/82/500356982.db2.gz ZZBVBYVIWKECRM-CHWSQXEVSA-N 0 3 359.348 3.442 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000423969481 500426373 /nfs/dbraw/zinc/42/63/73/500426373.db2.gz DYKAWEQRGPYIKI-FZKQIMNGSA-N 0 3 373.478 3.454 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC000428553647 500526515 /nfs/dbraw/zinc/52/65/15/500526515.db2.gz YDYQNNCEJCVPBI-LJQANCHMSA-N 0 3 357.479 3.302 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437181321 500611437 /nfs/dbraw/zinc/61/14/37/500611437.db2.gz FULAJQADBHXPAN-NSHDSACASA-N 0 3 359.348 3.218 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(C)CC1 ZINC000437206228 500614476 /nfs/dbraw/zinc/61/44/76/500614476.db2.gz CSHOJPTUTAHBSE-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000447603131 500632911 /nfs/dbraw/zinc/63/29/11/500632911.db2.gz WVCLIWRPFDOCSP-GVDBMIGSSA-N 0 3 372.425 3.397 20 5 FGBDHN COc1ccc(CNC[C@@H](C)OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443007630 500662261 /nfs/dbraw/zinc/66/22/61/500662261.db2.gz APASQCUGOXDENV-CQSZACIVSA-N 0 3 360.410 3.307 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000447816142 500668873 /nfs/dbraw/zinc/66/88/73/500668873.db2.gz IEHNNCGKPJOTQJ-SFHVURJKSA-N 0 3 374.485 3.363 20 5 FGBDHN C[C@H](OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000570675248 506212858 /nfs/dbraw/zinc/21/28/58/506212858.db2.gz AZHNBUXENJFQKT-SCLBCKFNSA-N 0 3 364.829 3.477 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C ZINC000443400384 500718776 /nfs/dbraw/zinc/71/87/76/500718776.db2.gz QJESRJMSDGPLQB-YWZLYKJASA-N 0 3 370.453 3.123 20 5 FGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000433771092 500741632 /nfs/dbraw/zinc/74/16/32/500741632.db2.gz MMVJDEBTNITZLQ-ZDUSSCGKSA-N 0 3 365.478 3.072 20 5 FGBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000433922382 500764994 /nfs/dbraw/zinc/76/49/94/500764994.db2.gz WCXWELQKFOGAOZ-IBGZPJMESA-N 0 3 374.485 3.234 20 5 FGBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000433922383 500765044 /nfs/dbraw/zinc/76/50/44/500765044.db2.gz WCXWELQKFOGAOZ-LJQANCHMSA-N 0 3 374.485 3.234 20 5 FGBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1CC(C)(C)O ZINC000438329917 500771018 /nfs/dbraw/zinc/77/10/18/500771018.db2.gz HUOBEAQXSZQVBS-HNNXBMFYSA-N 0 3 373.453 3.132 20 5 FGBDHN Cc1ccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000443988098 500788020 /nfs/dbraw/zinc/78/80/20/500788020.db2.gz KRTFDYDNUFWHGD-AWEZNQCLSA-N 0 3 368.355 3.261 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784590 500833290 /nfs/dbraw/zinc/83/32/90/500833290.db2.gz XDSUQHRZBQPOIP-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000448814964 500842070 /nfs/dbraw/zinc/84/20/70/500842070.db2.gz YIYFADJPDXJJPU-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN COC(=O)C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000444689589 500879245 /nfs/dbraw/zinc/87/92/45/500879245.db2.gz OMEPLXLJVFTISK-OAHLLOKOSA-N 0 3 360.414 3.073 20 5 FGBDHN C[C@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315408 500884229 /nfs/dbraw/zinc/88/42/29/500884229.db2.gz BIRXCLZPZOXAIN-GOEBONIOSA-N 0 3 353.422 3.462 20 5 FGBDHN Cc1ccc([C@@]2(C)CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000434743819 500887280 /nfs/dbraw/zinc/88/72/80/500887280.db2.gz BYXUXQLNGIQNPS-CTNGQTDRSA-N 0 3 370.449 3.307 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCCN2CC(C)C)cc1[N+](=O)[O-] ZINC000439686934 500926468 /nfs/dbraw/zinc/92/64/68/500926468.db2.gz CYAIDMZKPRPQEH-INIZCTEOSA-N 0 3 363.458 3.234 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccnc1OCC(F)F ZINC000449211209 500948720 /nfs/dbraw/zinc/94/87/20/500948720.db2.gz SODAEGZBEHUBRF-LBPRGKRZSA-N 0 3 351.353 3.355 20 5 FGBDHN Cc1ccc(CN2CC[C@@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000449282124 500965653 /nfs/dbraw/zinc/96/56/53/500965653.db2.gz FTQXJPVEQAMRAE-QFBILLFUSA-N 0 3 367.449 3.225 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc2ccccc2n(C)c1=O ZINC000449338983 500981055 /nfs/dbraw/zinc/98/10/55/500981055.db2.gz WZECDPWNMXPHTO-AWEZNQCLSA-N 0 3 351.406 3.168 20 5 FGBDHN CC(C)c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449357240 500985756 /nfs/dbraw/zinc/98/57/56/500985756.db2.gz KLWVWIQAQXZYDV-HNNXBMFYSA-N 0 3 374.462 3.379 20 5 FGBDHN COC[C@](C)(O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449383962 500990389 /nfs/dbraw/zinc/99/03/89/500990389.db2.gz LDHGRHOCYLHYCC-HXUWFJFHSA-N 0 3 373.453 3.240 20 5 FGBDHN Cc1cccc(C)c1OCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484891 501013800 /nfs/dbraw/zinc/01/38/00/501013800.db2.gz IPMOLLFFWQFINH-MRXNPFEDSA-N 0 3 356.426 3.172 20 5 FGBDHN Cc1cc(CN(C)C)cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000435797512 501029855 /nfs/dbraw/zinc/02/98/55/501029855.db2.gz FALUAUMNAMMUGQ-UHFFFAOYSA-N 0 3 357.410 3.291 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000449553610 501031968 /nfs/dbraw/zinc/03/19/68/501031968.db2.gz MEWGRHXBNNJEHX-LALPHHSUSA-N 0 3 356.369 3.179 20 5 FGBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1(C)C ZINC000440654365 501035187 /nfs/dbraw/zinc/03/51/87/501035187.db2.gz SAGQBWHNFORCKU-UHFFFAOYSA-N 0 3 360.380 3.052 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440970084 501069387 /nfs/dbraw/zinc/06/93/87/501069387.db2.gz RFNVSJRDSTWXQU-IAGOWNOFSA-N 0 3 361.442 3.264 20 5 FGBDHN CC(C)N(CCN(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000450508977 501139664 /nfs/dbraw/zinc/13/96/64/501139664.db2.gz GPNNHMYKLHWZSV-UHFFFAOYSA-N 0 3 363.458 3.135 20 5 FGBDHN COc1ccc([C@H]2CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000441531734 501152304 /nfs/dbraw/zinc/15/23/04/501152304.db2.gz DZIAIPNWJYLERW-INIZCTEOSA-N 0 3 372.421 3.480 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849077 501173374 /nfs/dbraw/zinc/17/33/74/501173374.db2.gz LKXNBWRTDZJVIO-GDBMZVCRSA-N 0 3 365.437 3.396 20 5 FGBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000450923607 501230399 /nfs/dbraw/zinc/23/03/99/501230399.db2.gz REUCSKDBVYYNBP-UHFFFAOYSA-N 0 3 374.407 3.442 20 5 FGBDHN CCOc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451099958 501245722 /nfs/dbraw/zinc/24/57/22/501245722.db2.gz OHPKAODIZNRFMW-YOEHRIQHSA-N 0 3 360.410 3.084 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451481799 501302709 /nfs/dbraw/zinc/30/27/09/501302709.db2.gz SBJMGCKGMLNGFX-KBRIMQKVSA-N 0 3 361.442 3.168 20 5 FGBDHN C[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC(=O)N1 ZINC000453589604 501355753 /nfs/dbraw/zinc/35/57/53/501355753.db2.gz NMQPUOZSWSOUBP-KRWDZBQOSA-N 0 3 363.801 3.267 20 5 FGBDHN CC[C@@H]1CN(CC)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734998 501363220 /nfs/dbraw/zinc/36/32/20/501363220.db2.gz XSGULABOVYSPLD-MRXNPFEDSA-N 0 3 358.442 3.208 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458294083 501414725 /nfs/dbraw/zinc/41/47/25/501414725.db2.gz PSYIAEQNBCEHQW-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)c(OC)c1 ZINC000582499468 506259078 /nfs/dbraw/zinc/25/90/78/506259078.db2.gz BXSWINLHHVQJMM-CQSZACIVSA-N 0 3 374.441 3.109 20 5 FGBDHN C[C@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882602 501552021 /nfs/dbraw/zinc/55/20/21/501552021.db2.gz BPQLGXLDPOPBJT-YRBFXIGRSA-N 0 3 360.458 3.028 20 5 FGBDHN O=c1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C2CC2)[nH]1 ZINC000459517782 501668185 /nfs/dbraw/zinc/66/81/85/501668185.db2.gz RPGADSZSEPXUAX-HNNXBMFYSA-N 0 3 354.410 3.347 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cnn(C)c1)CC(C)C ZINC000459575288 501679459 /nfs/dbraw/zinc/67/94/59/501679459.db2.gz BTZFIEWJNZNBJF-UHFFFAOYSA-N 0 3 373.457 3.124 20 5 FGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459673654 501696968 /nfs/dbraw/zinc/69/69/68/501696968.db2.gz JJMPBICTFVBSBK-MSOLQXFVSA-N 0 3 353.422 3.462 20 5 FGBDHN Cc1c(CNC(=O)c2cccc(CN3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000481482001 501787549 /nfs/dbraw/zinc/78/75/49/501787549.db2.gz PWCIJYYBAUPLFG-UHFFFAOYSA-N 0 3 353.422 3.429 20 5 FGBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474329648 501793092 /nfs/dbraw/zinc/79/30/92/501793092.db2.gz MINHVCPDQFOMAI-GOSISDBHSA-N 0 3 354.410 3.333 20 5 FGBDHN Cc1ccc([C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c(C)c1 ZINC000471027253 501895856 /nfs/dbraw/zinc/89/58/56/501895856.db2.gz DRMOHTAROXLNNV-INIZCTEOSA-N 0 3 353.422 3.300 20 5 FGBDHN Cc1cc(C)c2c(c1)CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000485885050 501976769 /nfs/dbraw/zinc/97/67/69/501976769.db2.gz UGRRZXGEOFBGBI-GOSISDBHSA-N 0 3 356.422 3.010 20 5 FGBDHN CC(C)c1ccc(C[C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000460978655 501978863 /nfs/dbraw/zinc/97/88/63/501978863.db2.gz JNFQUEPZZNFZDO-GOSISDBHSA-N 0 3 369.465 3.445 20 5 FGBDHN CCc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000471297511 501982918 /nfs/dbraw/zinc/98/29/18/501982918.db2.gz SGLZXQIHOBIGFL-UHFFFAOYSA-N 0 3 367.449 3.335 20 5 FGBDHN CCc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000471344063 501994684 /nfs/dbraw/zinc/99/46/84/501994684.db2.gz VAJHYKKGTAHWGJ-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000471527767 502055432 /nfs/dbraw/zinc/05/54/32/502055432.db2.gz JQXSSMUVZMICCR-GOSISDBHSA-N 0 3 361.829 3.297 20 5 FGBDHN C[C@@H]1C[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596173645 506292566 /nfs/dbraw/zinc/29/25/66/506292566.db2.gz ZOVHUZJPJSZFPM-ZBFHGGJFSA-N 0 3 356.426 3.408 20 5 FGBDHN C[C@@H]1C[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173645 506292570 /nfs/dbraw/zinc/29/25/70/506292570.db2.gz ZOVHUZJPJSZFPM-ZBFHGGJFSA-N 0 3 356.426 3.408 20 5 FGBDHN COc1cc(C[NH2+]CC2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000475289066 502120418 /nfs/dbraw/zinc/12/04/18/502120418.db2.gz AMOZBISASWALMI-UHFFFAOYSA-N 0 3 371.437 3.315 20 5 FGBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000475314437 502130987 /nfs/dbraw/zinc/13/09/87/502130987.db2.gz UHKSPNXLBUTQLI-SFHVURJKSA-N 0 3 353.422 3.250 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482697853 502155526 /nfs/dbraw/zinc/15/55/26/502155526.db2.gz WOBVGGODALFBKU-UHFFFAOYSA-N 0 3 367.453 3.471 20 5 FGBDHN CO[C@H]1C[C@@H](CN(C)c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)N(C)C1 ZINC000461883855 502223303 /nfs/dbraw/zinc/22/33/03/502223303.db2.gz OSOHLPLMKHOPLV-RYUDHWBXSA-N 0 3 361.364 3.077 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000602798610 506303418 /nfs/dbraw/zinc/30/34/18/506303418.db2.gz MANVJWFWSNLABA-HNNXBMFYSA-N 0 3 368.441 3.164 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000602798610 506303428 /nfs/dbraw/zinc/30/34/28/506303428.db2.gz MANVJWFWSNLABA-HNNXBMFYSA-N 0 3 368.441 3.164 20 5 FGBDHN CCC[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCN1CCOC ZINC000599064235 506303890 /nfs/dbraw/zinc/30/38/90/506303890.db2.gz LNEKEDJGQGPGMC-INIZCTEOSA-N 0 3 358.442 3.080 20 5 FGBDHN CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000472359705 502328647 /nfs/dbraw/zinc/32/86/47/502328647.db2.gz MNNWMSHPYZHEPH-DLBZAZTESA-N 0 3 363.458 3.085 20 5 FGBDHN CS[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000599068105 506307790 /nfs/dbraw/zinc/30/77/90/506307790.db2.gz KSXULBYJHVRYNC-IAGOWNOFSA-N 0 3 358.467 3.159 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC[C@@H](C)C1 ZINC000483408016 502378480 /nfs/dbraw/zinc/37/84/80/502378480.db2.gz OYZVZPIQDBIBOY-CJNGLKHVSA-N 0 3 350.415 3.098 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC=CCC1 ZINC000483492387 502409602 /nfs/dbraw/zinc/40/96/02/502409602.db2.gz TVFKTSRXOPLEAV-HNNXBMFYSA-N 0 3 362.426 3.266 20 5 FGBDHN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000487534242 502471215 /nfs/dbraw/zinc/47/12/15/502471215.db2.gz GEWMZEZCEZLPQD-GOSISDBHSA-N 0 3 370.453 3.432 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302240 502531782 /nfs/dbraw/zinc/53/17/82/502531782.db2.gz DFYKEOVGEIEQNN-BBRMVZONSA-N 0 3 357.385 3.299 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693756 502535719 /nfs/dbraw/zinc/53/57/19/502535719.db2.gz ZNYBOXJHVAQWDG-WMLDXEAASA-N 0 3 363.421 3.470 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc(C)ccc2C1 ZINC000484015910 502550119 /nfs/dbraw/zinc/55/01/19/502550119.db2.gz LQBGTPAGIQYPEX-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN COC(=O)c1c(Cl)c(N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596230428 506322092 /nfs/dbraw/zinc/32/20/92/506322092.db2.gz AXIGQJUCXCPOSE-NWDGAFQWSA-N 0 3 367.833 3.098 20 5 FGBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@H]1N(C)C ZINC000473511067 502616518 /nfs/dbraw/zinc/61/65/18/502616518.db2.gz GZKSCVQNBFVZOZ-KGLIPLIRSA-N 0 3 374.304 3.148 20 5 FGBDHN O=C1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1c1ccccc1F ZINC000463041018 502671879 /nfs/dbraw/zinc/67/18/79/502671879.db2.gz DYKKNEQKYIGOKL-KEDPEKRHSA-N 0 3 355.369 3.142 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137092 502673977 /nfs/dbraw/zinc/67/39/77/502673977.db2.gz REFRGVZVWVZEGO-FZKQIMNGSA-N 0 3 372.400 3.376 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CC2CCOCC2)CC1 ZINC000470170366 502691726 /nfs/dbraw/zinc/69/17/26/502691726.db2.gz SYAZEJKBRGOYET-GHRIWEEISA-N 0 3 359.470 3.042 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000470179188 502697379 /nfs/dbraw/zinc/69/73/79/502697379.db2.gz UCMQEZJTVUHBKC-BXBOZWQASA-N 0 3 357.454 3.236 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714705 502788008 /nfs/dbraw/zinc/78/80/08/502788008.db2.gz FYZWOVKBYONPEF-SDDRHHMPSA-N 0 3 358.364 3.175 20 5 FGBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484985861 502793751 /nfs/dbraw/zinc/79/37/51/502793751.db2.gz SRNSXWNIPAWDNC-HNNXBMFYSA-N 0 3 364.490 3.210 20 5 FGBDHN CCCCN(C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488915122 502837910 /nfs/dbraw/zinc/83/79/10/502837910.db2.gz JWTOLMOBWCWWNH-UHFFFAOYSA-N 0 3 362.455 3.180 20 5 FGBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000513179540 502870438 /nfs/dbraw/zinc/87/04/38/502870438.db2.gz ZTHFIHWDLNJEBU-LBPRGKRZSA-N 0 3 353.382 3.151 20 5 FGBDHN Cc1ccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000489205867 502900710 /nfs/dbraw/zinc/90/07/10/502900710.db2.gz NPBLXSLAOYAFBY-LJQANCHMSA-N 0 3 368.437 3.251 20 5 FGBDHN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H](c1ccccc1)N(C)C ZINC000505576171 502939967 /nfs/dbraw/zinc/93/99/67/502939967.db2.gz WTWXQGXULWFDBL-BFUOFWGJSA-N 0 3 366.421 3.497 20 5 FGBDHN CNc1c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505593254 502944559 /nfs/dbraw/zinc/94/45/59/502944559.db2.gz XXDMAPCSCFSKRT-FZKQIMNGSA-N 0 3 356.426 3.058 20 5 FGBDHN C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000505614183 502951545 /nfs/dbraw/zinc/95/15/45/502951545.db2.gz TUSWXZHXKHFKFD-KUHUBIRLSA-N 0 3 373.478 3.495 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCCO[C@H]2CC(C)C)c1 ZINC000593024912 506344226 /nfs/dbraw/zinc/34/42/26/506344226.db2.gz KLGMAYHSSYFJMQ-RDJZCZTQSA-N 0 3 350.415 3.065 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CC ZINC000505736054 502975764 /nfs/dbraw/zinc/97/57/64/502975764.db2.gz LJWUXTJSMNXDSF-AWEZNQCLSA-N 0 3 351.472 3.311 20 5 FGBDHN CSc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000501562564 503038872 /nfs/dbraw/zinc/03/88/72/503038872.db2.gz SQJIRRNAXZXRAH-ZIAGYGMSSA-N 0 3 362.451 3.407 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000497796976 503043559 /nfs/dbraw/zinc/04/35/59/503043559.db2.gz NTRBSBMKRBNNMH-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN Cc1ccccc1C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000514184202 503106970 /nfs/dbraw/zinc/10/69/70/503106970.db2.gz RIRCCDICQRFPMJ-SFHVURJKSA-N 0 3 353.422 3.209 20 5 FGBDHN COc1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510524495 503133323 /nfs/dbraw/zinc/13/33/23/503133323.db2.gz LJQKPWUMWLUFPF-RDTXWAMCSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])N(C)C ZINC000510546662 503140698 /nfs/dbraw/zinc/14/06/98/503140698.db2.gz JDSIRVDDFGXMLV-DYVFJYSZSA-N 0 3 373.457 3.171 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])N(C)C ZINC000510546664 503140776 /nfs/dbraw/zinc/14/07/76/503140776.db2.gz JDSIRVDDFGXMLV-SUMWQHHRSA-N 0 3 373.457 3.171 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)N(C)C)cc1 ZINC000511088980 503250990 /nfs/dbraw/zinc/25/09/90/503250990.db2.gz GNHIYARTNGKWSS-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN COc1ccccc1-c1ncc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000491344633 503298678 /nfs/dbraw/zinc/29/86/78/503298678.db2.gz BUTGBPZKTYOGSJ-UHFFFAOYSA-N 0 3 364.405 3.393 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511332575 503301622 /nfs/dbraw/zinc/30/16/22/503301622.db2.gz IWQIYQDFSLSRME-CYBMUJFWSA-N 0 3 363.483 3.477 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000593062031 506368511 /nfs/dbraw/zinc/36/85/11/506368511.db2.gz MRMRPDRXIZMWEJ-SFHVURJKSA-N 0 3 371.412 3.057 20 5 FGBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503446309 503411758 /nfs/dbraw/zinc/41/17/58/503411758.db2.gz KKPQOKMLNCSRDB-KGLIPLIRSA-N 0 3 357.863 3.451 20 5 FGBDHN Cc1cccc(C)c1OC[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516048768 503437738 /nfs/dbraw/zinc/43/77/38/503437738.db2.gz NUDAKURKKLKIQQ-SJORKVTESA-N 0 3 374.437 3.008 20 5 FGBDHN O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593069041 506373231 /nfs/dbraw/zinc/37/32/31/506373231.db2.gz RCDZPEHYBDBXFK-ZYHUDNBSSA-N 0 3 358.316 3.232 20 5 FGBDHN COC[C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)OC ZINC000512402018 503538403 /nfs/dbraw/zinc/53/84/03/503538403.db2.gz USYSMDPFPSSLTG-MRXNPFEDSA-N 0 3 364.373 3.277 20 5 FGBDHN CC[C@@H]1CCCCN1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000500412065 503618438 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CCOc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000534329512 504112070 /nfs/dbraw/zinc/11/20/70/504112070.db2.gz AXXIODRBPGGSEW-GDBMZVCRSA-N 0 3 360.410 3.084 20 5 FGBDHN CN(C)Cc1ccc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000531109652 504191692 /nfs/dbraw/zinc/19/16/92/504191692.db2.gz IOEURCQECIPCEX-UHFFFAOYSA-N 0 3 364.365 3.250 20 5 FGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541687284 504221283 /nfs/dbraw/zinc/22/12/83/504221283.db2.gz SCRGJLAYUWMHJX-WTOJCKNJSA-N 0 3 355.394 3.076 20 5 FGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000541687282 504221294 /nfs/dbraw/zinc/22/12/94/504221294.db2.gz SCRGJLAYUWMHJX-NQCMUKECSA-N 0 3 355.394 3.076 20 5 FGBDHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541738125 504238284 /nfs/dbraw/zinc/23/82/84/504238284.db2.gz CEKNUMMWIPTUJM-JJRVBVJISA-N 0 3 354.472 3.173 20 5 FGBDHN Cn1cc(CNCc2ccc3c(c2)COC3)c(-c2ccc([N+](=O)[O-])cc2)n1 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ZINC000593495770 506653513 /nfs/dbraw/zinc/65/35/13/506653513.db2.gz IIZAHVSVVFSHNV-SFTDATJTSA-N 0 3 367.449 3.383 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829338 506662456 /nfs/dbraw/zinc/66/24/56/506662456.db2.gz CCGYEQZAVKOPGA-CYBMUJFWSA-N 0 3 357.414 3.139 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000593520545 506667754 /nfs/dbraw/zinc/66/77/54/506667754.db2.gz HCOVMWNYXVBDBS-RDTXWAMCSA-N 0 3 371.412 3.056 20 5 FGBDHN COC(=O)c1oc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000597076778 506760475 /nfs/dbraw/zinc/76/04/75/506760475.db2.gz REBIHRCNYRZOFA-UHFFFAOYSA-N 0 3 352.774 3.269 20 5 FGBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230114 506861660 /nfs/dbraw/zinc/86/16/60/506861660.db2.gz ZLIBXAIMYNDMGZ-SFHVURJKSA-N 0 3 370.453 3.073 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCCC1 ZINC000600229037 506862009 /nfs/dbraw/zinc/86/20/09/506862009.db2.gz NVELVNAETNBILR-MRXNPFEDSA-N 0 3 363.483 3.210 20 5 FGBDHN COC(=O)c1c(Cl)c(NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000590572016 506864936 /nfs/dbraw/zinc/86/49/36/506864936.db2.gz CHDLOGBZCPOARH-UHFFFAOYSA-N 0 3 355.822 3.323 20 5 FGBDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604535249 506865865 /nfs/dbraw/zinc/86/58/65/506865865.db2.gz OTCWTGWCCFWKOK-MAUKXSAKSA-N 0 3 368.437 3.079 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594108903 506944474 /nfs/dbraw/zinc/94/44/74/506944474.db2.gz ZOEPERYOVKKFQK-HOCLYGCPSA-N 0 3 362.430 3.132 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000590778721 506950053 /nfs/dbraw/zinc/95/00/53/506950053.db2.gz XBLMNXNTUVLFME-KGLIPLIRSA-N 0 3 360.435 3.125 20 5 FGBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600469834 506962440 /nfs/dbraw/zinc/96/24/40/506962440.db2.gz LBHAACQJOUDHIY-MRXNPFEDSA-N 0 3 361.442 3.129 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609792877 507002795 /nfs/dbraw/zinc/00/27/95/507002795.db2.gz PWCOKJZDNKNZGT-UHFFFAOYSA-N 0 3 353.850 3.124 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1CN1CCCCC1 ZINC000609793029 507003488 /nfs/dbraw/zinc/00/34/88/507003488.db2.gz HVDWYRBNQPCQTO-INIZCTEOSA-N 0 3 365.861 3.268 20 5 FGBDHN CC(C)O[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000613282240 507009047 /nfs/dbraw/zinc/00/90/47/507009047.db2.gz OFSBLGGADHDAKP-IRXDYDNUSA-N 0 3 350.415 3.048 20 5 FGBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000609860801 507028415 /nfs/dbraw/zinc/02/84/15/507028415.db2.gz RASNWRMSUXYCGX-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600684058 507063402 /nfs/dbraw/zinc/06/34/02/507063402.db2.gz VUUXYMTXAPTIAJ-CQSZACIVSA-N 0 3 350.394 3.262 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284479 507063345 /nfs/dbraw/zinc/06/33/45/507063345.db2.gz YXHADVCHKGUCDW-IEBWSBKVSA-N 0 3 372.469 3.286 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000610059745 507084915 /nfs/dbraw/zinc/08/49/15/507084915.db2.gz PAPGUARSEBYDSG-UHFFFAOYSA-N 0 3 355.438 3.250 20 5 FGBDHN O=C(CCN[C@@H]1C[C@H]1c1ccc(F)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000600758011 507103954 /nfs/dbraw/zinc/10/39/54/507103954.db2.gz NORLZCSAIIBDKQ-XJKSGUPXSA-N 0 3 361.348 3.347 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000610116520 507105372 /nfs/dbraw/zinc/10/53/72/507105372.db2.gz MCDADZQFOCLXBF-YJBOKZPZSA-N 0 3 359.401 3.029 20 5 FGBDHN O=C(Nc1ccccc1)N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594504007 507159385 /nfs/dbraw/zinc/15/93/85/507159385.db2.gz MDSZTGHCHPYKAN-CRAIPNDOSA-N 0 3 366.421 3.478 20 5 FGBDHN CCOC(=O)Cc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599989 507204058 /nfs/dbraw/zinc/20/40/58/507204058.db2.gz KXCLUNSVHRQIBR-RDJZCZTQSA-N 0 3 361.442 3.129 20 5 FGBDHN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598043234 507231122 /nfs/dbraw/zinc/23/11/22/507231122.db2.gz SDIYMFCOMATMAC-UKRRQHHQSA-N 0 3 351.472 3.018 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1SCCc3ccccc31)OCCO2 ZINC000610517950 507275091 /nfs/dbraw/zinc/27/50/91/507275091.db2.gz PZRBFVYLYCZTNH-LJQANCHMSA-N 0 3 372.446 3.486 20 5 FGBDHN Cc1ccc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598193979 507306340 /nfs/dbraw/zinc/30/63/40/507306340.db2.gz CPAZEQZPLXIGEJ-LJQANCHMSA-N 0 3 367.449 3.292 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CCOC2 ZINC000601305173 507328499 /nfs/dbraw/zinc/32/84/99/507328499.db2.gz VZUICEGEAALIOZ-AWEZNQCLSA-N 0 3 369.421 3.174 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000595021794 507358534 /nfs/dbraw/zinc/35/85/34/507358534.db2.gz GCBWRTZJPOTNCI-AHIWAGSCSA-N 0 3 352.456 3.309 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000610721452 507363489 /nfs/dbraw/zinc/36/34/89/507363489.db2.gz ZNMUEDWOZLVYCT-QGZVFWFLSA-N 0 3 362.474 3.389 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccnc2N2CCCC2)n1 ZINC000595064797 507375011 /nfs/dbraw/zinc/37/50/11/507375011.db2.gz GNRLAZMJCQTKGB-IAGOWNOFSA-N 0 3 370.457 3.060 20 5 FGBDHN C[C@@H](O)[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595101979 507392695 /nfs/dbraw/zinc/39/26/95/507392695.db2.gz GVJUHKUCGXMKKJ-LPMFXHHGSA-N 0 3 357.410 3.024 20 5 FGBDHN O=C(C[C@H]1NCc2ccccc21)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595247979 507437503 /nfs/dbraw/zinc/43/75/03/507437503.db2.gz DFFIDKKFRAYEJZ-LJQANCHMSA-N 0 3 353.422 3.268 20 5 FGBDHN Cc1c(CC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610971055 507460067 /nfs/dbraw/zinc/46/00/67/507460067.db2.gz JDPNGERURJMSDS-IBGZPJMESA-N 0 3 367.449 3.179 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748911 507664794 /nfs/dbraw/zinc/66/47/94/507664794.db2.gz ZSXKAQBLMUHOIO-ZWKOTPCHSA-N 0 3 356.422 3.072 20 5 FGBDHN COc1cc(CN[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000611408157 507667924 /nfs/dbraw/zinc/66/79/24/507667924.db2.gz GYHGNIVMGAJRQF-CYBMUJFWSA-N 0 3 353.382 3.035 20 5 FGBDHN CCc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510261 507714582 /nfs/dbraw/zinc/71/45/82/507714582.db2.gz YLTBRMIOXICOOL-KDOFPFPSSA-N 0 3 367.453 3.145 20 5 FGBDHN COCCOC[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602487769 507723673 /nfs/dbraw/zinc/72/36/73/507723673.db2.gz UCJGSXSRLYEWBJ-LBPRGKRZSA-N 0 3 362.348 3.099 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CCN(CC(F)F)CC1 ZINC000602532999 507740563 /nfs/dbraw/zinc/74/05/63/507740563.db2.gz MQADGNAMZRIUSR-UHFFFAOYSA-N 0 3 367.318 3.433 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCOC1CCOCC1 ZINC000602550114 507745821 /nfs/dbraw/zinc/74/58/21/507745821.db2.gz GOHWQXDDRNCJKC-UHFFFAOYSA-N 0 3 362.348 3.289 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CSc4ccccc43)CC2)cn1 ZINC000602552675 507746548 /nfs/dbraw/zinc/74/65/48/507746548.db2.gz ICGUIUQSMVZZNO-INIZCTEOSA-N 0 3 356.451 3.395 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820254002 607060309 /nfs/dbraw/zinc/06/03/09/607060309.db2.gz LWICEZKFEMBQBA-LBPRGKRZSA-N 0 3 370.388 3.025 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820254002 607060310 /nfs/dbraw/zinc/06/03/10/607060310.db2.gz LWICEZKFEMBQBA-LBPRGKRZSA-N 0 3 370.388 3.025 20 5 FGBDHN CNC(=O)CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000523391203 714231448 /nfs/dbraw/zinc/23/14/48/714231448.db2.gz AGSGVMMFROJIMT-UHFFFAOYSA-N 0 3 359.451 3.280 20 5 FGBDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000776828084 724187175 /nfs/dbraw/zinc/18/71/75/724187175.db2.gz OOWZZXMENSUHDZ-STQMWFEESA-N 0 3 353.394 3.081 20 5 FGBDHN CC(C)(CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000778220053 724312444 /nfs/dbraw/zinc/31/24/44/724312444.db2.gz QAEZVOHWVMENRD-UHFFFAOYSA-N 0 3 355.385 3.067 20 5 FGBDHN COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000808800107 725218242 /nfs/dbraw/zinc/21/82/42/725218242.db2.gz REOXPFBAMOGSCJ-DLBZAZTESA-N 0 3 350.802 3.259 20 5 FGBDHN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCOCC1 ZINC000811471576 725367940 /nfs/dbraw/zinc/36/79/40/725367940.db2.gz GIWKWACUCVDVAW-UHFFFAOYSA-N 0 3 362.257 3.102 20 5 FGBDHN CC(COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[N+](=O)[O-] ZINC000813101542 726838912 /nfs/dbraw/zinc/83/89/12/726838912.db2.gz DAEZCEATEVLRTD-JGVFFNPUSA-N 0 3 366.595 3.078 20 5 FGBDHN CC(COC(=O)CSCc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813107009 726839872 /nfs/dbraw/zinc/83/98/72/726839872.db2.gz KBKCQYMFYQEUKT-MRVPVSSYSA-N 0 3 366.208 3.030 20 5 FGBDHN CC(COC(=O)c1cc(Br)ccc1Br)[N+](=O)[O-] ZINC000813115645 726840743 /nfs/dbraw/zinc/84/07/43/726840743.db2.gz WWMPOYQCQHSLFM-LURJTMIESA-N 0 3 366.993 3.034 20 5 FGBDHN Cc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814833269 727004723 /nfs/dbraw/zinc/00/47/23/727004723.db2.gz BPIKZVXYCIIQTG-NWDGAFQWSA-N 0 3 359.348 3.197 20 5 FGBDHN CCN(CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000815573229 727084517 /nfs/dbraw/zinc/08/45/17/727084517.db2.gz CDHFANGXMRYFTD-LBPRGKRZSA-N 0 3 352.435 3.085 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1F ZINC000822059964 729143711 /nfs/dbraw/zinc/14/37/11/729143711.db2.gz XQHBJICCIPZDND-CMPLNLGQSA-N 0 3 355.385 3.032 20 5 FGBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])sc2nccn12 ZINC000845878975 730905771 /nfs/dbraw/zinc/90/57/71/730905771.db2.gz UMDCIIABYDICTO-RNCFNFMXSA-N 0 3 363.370 3.407 20 5 FGBDHN CCOC(=O)C(C)(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883541 730906035 /nfs/dbraw/zinc/90/60/35/730906035.db2.gz UOAWVYVKNMBYLR-ABAIWWIYSA-N 0 3 355.362 3.055 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNC(=O)OC(C)(C)C ZINC000850432144 731356561 /nfs/dbraw/zinc/35/65/61/731356561.db2.gz RWIICXSHSLRPRG-LBPRGKRZSA-N 0 3 353.419 3.169 20 5 FGBDHN CC1(C)C[C@@H](NCC[S@](=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000850496712 731364387 /nfs/dbraw/zinc/36/43/87/731364387.db2.gz QGGVOOYADFFUEF-OZAJXLCCSA-N 0 3 364.389 3.218 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCN(C2CCC2)C1 ZINC000861812858 732735209 /nfs/dbraw/zinc/73/52/09/732735209.db2.gz KQLGNMOZDDENNL-LBPRGKRZSA-N 0 3 351.834 3.195 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000862629748 732858551 /nfs/dbraw/zinc/85/85/51/732858551.db2.gz QXIBTIWTXPYJSE-ZDUSSCGKSA-N 0 3 351.834 3.385 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000895537796 742423999 /nfs/dbraw/zinc/42/39/99/742423999.db2.gz UPCLHNRDDNXHOD-CQSZACIVSA-N 0 3 354.834 3.314 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896518066 742561107 /nfs/dbraw/zinc/56/11/07/742561107.db2.gz LHISJZJHWITYON-ZDUSSCGKSA-N 0 3 359.348 3.279 20 5 FGBDHN O=[N+]([O-])c1c(Br)cccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896520965 742561497 /nfs/dbraw/zinc/56/14/97/742561497.db2.gz APZLLAFNARBFMO-GFCCVEGCSA-N 0 3 370.247 3.023 20 5 FGBDHN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466075 742681481 /nfs/dbraw/zinc/68/14/81/742681481.db2.gz NKKWFVPQJSLERX-HUUCEWRRSA-N 0 3 362.451 3.150 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]23C[C@H]2COC32CCC2)c1 ZINC000898065015 742740044 /nfs/dbraw/zinc/74/00/44/742740044.db2.gz AWMWIAHMMXGYEM-BLLLJJGKSA-N 0 3 354.353 3.245 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1cccnc1)C1CC1 ZINC000540150149 503690075 /nfs/dbraw/zinc/69/00/75/503690075.db2.gz BYJLDJGLDSUUCH-ORAYPTAESA-N 0 3 354.410 3.448 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000571206878 505679672 /nfs/dbraw/zinc/67/96/72/505679672.db2.gz GMKUHHNIVDDSQZ-RRQGHBQHSA-N 0 3 361.442 3.249 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000057615645 493778356 /nfs/dbraw/zinc/77/83/56/493778356.db2.gz HDGYOKXJLXZAOV-LJQANCHMSA-N 0 3 355.438 3.337 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000048246325 493807720 /nfs/dbraw/zinc/80/77/20/493807720.db2.gz IXRLPQDASJGTIF-QGZVFWFLSA-N 0 3 374.416 3.129 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000058491437 493859020 /nfs/dbraw/zinc/85/90/20/493859020.db2.gz RQYCJDZXJZFIGY-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000029843435 493861479 /nfs/dbraw/zinc/86/14/79/493861479.db2.gz CZPLRRJBBVCHFF-AWEZNQCLSA-N 0 3 353.422 3.494 20 5 FGBDHN CCOc1cc(C(=O)Nc2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000029952308 493869294 /nfs/dbraw/zinc/86/92/94/493869294.db2.gz XCFIUWNXNCZCRG-UHFFFAOYSA-N 0 3 373.409 3.316 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000049696243 493880202 /nfs/dbraw/zinc/88/02/02/493880202.db2.gz HFQPHPGQCAJAOY-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000076388060 493880719 /nfs/dbraw/zinc/88/07/19/493880719.db2.gz RPQYPBCPTJSFSN-QGZVFWFLSA-N 0 3 367.449 3.260 20 5 FGBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000060221295 493919258 /nfs/dbraw/zinc/91/92/58/493919258.db2.gz OCFXUOWZCMFBQW-UHFFFAOYSA-N 0 3 371.462 3.438 20 5 FGBDHN COc1ccc(CNC[C@@H](O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000571257308 505690885 /nfs/dbraw/zinc/69/08/85/505690885.db2.gz NKJKNNPBYWKQAX-IBGZPJMESA-N 0 3 366.417 3.450 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062231507 494006783 /nfs/dbraw/zinc/00/67/83/494006783.db2.gz GXWJUWXRGNVRJJ-IBGZPJMESA-N 0 3 367.449 3.166 20 5 FGBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000065421064 494195700 /nfs/dbraw/zinc/19/57/00/494195700.db2.gz QSAWLPNLIFSAIC-AWEZNQCLSA-N 0 3 374.485 3.409 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088608409 494253290 /nfs/dbraw/zinc/25/32/90/494253290.db2.gz IFDDYPXIBLHJJI-OAHLLOKOSA-N 0 3 374.441 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494479540 /nfs/dbraw/zinc/47/95/40/494479540.db2.gz CFSDAJCEVARMKT-LLVKDONJSA-N 0 3 358.320 3.083 20 5 FGBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056331974 494487022 /nfs/dbraw/zinc/48/70/22/494487022.db2.gz GHOVQCAUHLPALB-GOSISDBHSA-N 0 3 370.453 3.126 20 5 FGBDHN COc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000067678519 494607455 /nfs/dbraw/zinc/60/74/55/494607455.db2.gz YMGANSYAUVKWIK-UHFFFAOYSA-N 0 3 363.458 3.188 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccncc1 ZINC000091986075 494745745 /nfs/dbraw/zinc/74/57/45/494745745.db2.gz AHPAUZDMYPPRFC-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000091992977 494748253 /nfs/dbraw/zinc/74/82/53/494748253.db2.gz MDPDPNFXXAJTKM-QGZVFWFLSA-N 0 3 372.425 3.410 20 5 FGBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000068135540 494775998 /nfs/dbraw/zinc/77/59/98/494775998.db2.gz BWYSHPRJIUGDTE-KRWDZBQOSA-N 0 3 372.469 3.260 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000026223894 494810879 /nfs/dbraw/zinc/81/08/79/494810879.db2.gz FTCZMPKUGLIWGZ-UHFFFAOYSA-N 0 3 361.373 3.203 20 5 FGBDHN Cc1ccc(OCCN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026336933 494819173 /nfs/dbraw/zinc/81/91/73/494819173.db2.gz FDIUTXPRJHLPFH-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116727765 494844360 /nfs/dbraw/zinc/84/43/60/494844360.db2.gz SZSRZEOHICOBHZ-ZDUSSCGKSA-N 0 3 369.849 3.008 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCSc3ccc(F)cc3)C2)nc1 ZINC000122266770 494949368 /nfs/dbraw/zinc/94/93/68/494949368.db2.gz PUAQWSSIMTYGKV-AWEZNQCLSA-N 0 3 362.430 3.407 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000133064499 494963204 /nfs/dbraw/zinc/96/32/04/494963204.db2.gz XUTNFPYLMYYEQD-AWEZNQCLSA-N 0 3 351.472 3.119 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2CCCCCC2)cc1 ZINC000577561502 505752233 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CN(C)Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000129541465 495259648 /nfs/dbraw/zinc/25/96/48/495259648.db2.gz KBUXCLUEYBSTFK-UHFFFAOYSA-N 0 3 353.422 3.461 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(C4CCCC4)CC3)o2)c1 ZINC000104666799 495295756 /nfs/dbraw/zinc/29/57/56/495295756.db2.gz XQFWEFPJOQATGI-UHFFFAOYSA-N 0 3 370.453 3.353 20 5 FGBDHN O=C(CN[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000124641042 495321163 /nfs/dbraw/zinc/32/11/63/495321163.db2.gz KWPKEXSGDVIONN-UONOGXRCSA-N 0 3 371.359 3.195 20 5 FGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000120229201 495331837 /nfs/dbraw/zinc/33/18/37/495331837.db2.gz MHTHIIJKCUJJIA-OAHLLOKOSA-N 0 3 350.802 3.120 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C ZINC000124804246 495345718 /nfs/dbraw/zinc/34/57/18/495345718.db2.gz TYJRSPDMKOGFSK-CVEARBPZSA-N 0 3 374.485 3.140 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC[C@H]1C ZINC000136027138 495350638 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5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC000182419094 495556966 /nfs/dbraw/zinc/55/69/66/495556966.db2.gz UPNIKUQLLAHKIB-NSHDSACASA-N 0 3 355.316 3.126 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC000182419113 495557097 /nfs/dbraw/zinc/55/70/97/495557097.db2.gz UPNIKUQLLAHKIB-LLVKDONJSA-N 0 3 355.316 3.126 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCS(=O)(=O)c1ccccc1 ZINC000158662375 495560665 /nfs/dbraw/zinc/56/06/65/495560665.db2.gz FFJVTWGDWPJEBB-OAHLLOKOSA-N 0 3 362.451 3.418 20 5 FGBDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182556044 495613356 /nfs/dbraw/zinc/61/33/56/495613356.db2.gz ZBGHLKPWAAZQDM-CYBMUJFWSA-N 0 3 370.409 3.233 20 5 FGBDHN CCOC(=O)C[C@H](C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182657978 495651508 /nfs/dbraw/zinc/65/15/08/495651508.db2.gz XGTAEUJAGFPDRZ-ZDUSSCGKSA-N 0 3 361.398 3.066 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179746461 495715606 /nfs/dbraw/zinc/71/56/06/495715606.db2.gz KCLCQKDFPSOMRS-FXAWDEMLSA-N 0 3 370.405 3.140 20 5 FGBDHN COc1cc(CN[C@H](C)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000179879430 495768872 /nfs/dbraw/zinc/76/88/72/495768872.db2.gz ZYRKMVPHOZDULE-SNVBAGLBSA-N 0 3 360.357 3.110 20 5 FGBDHN CC(C)CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000151216991 495774599 /nfs/dbraw/zinc/77/45/99/495774599.db2.gz CRIIEMIDCDEKKR-UHFFFAOYSA-N 0 3 355.385 3.065 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1CC ZINC000154963855 495786840 /nfs/dbraw/zinc/78/68/40/495786840.db2.gz CWUGOXQADKGHCD-CQSZACIVSA-N 0 3 351.472 3.311 20 5 FGBDHN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1Oc2ccccc2O[C@H]1C ZINC000171446519 495878225 /nfs/dbraw/zinc/87/82/25/495878225.db2.gz SPUSHQPBBFQKAQ-FTLABTOESA-N 0 3 354.362 3.101 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOCC3(CCOCC3)C2)o1 ZINC000183269800 495908996 /nfs/dbraw/zinc/90/89/96/495908996.db2.gz QNXTZFPCAYMMBC-UHFFFAOYSA-N 0 3 372.421 3.484 20 5 FGBDHN Cc1c2ccccc2oc1[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183276956 495911623 /nfs/dbraw/zinc/91/16/23/495911623.db2.gz MHDPTNUAUPQSHZ-QAPCUYQASA-N 0 3 372.425 3.194 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186300581 495934829 /nfs/dbraw/zinc/93/48/29/495934829.db2.gz AOLJMHFNWFLCFV-IBGZPJMESA-N 0 3 353.422 3.331 20 5 FGBDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183343632 495939752 /nfs/dbraw/zinc/93/97/52/495939752.db2.gz IQQKLWBMLDRNDU-GJZGRUSLSA-N 0 3 353.422 3.266 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180306136 495944430 /nfs/dbraw/zinc/94/44/30/495944430.db2.gz HAEUGBCCMLLSEU-SFHVURJKSA-N 0 3 370.384 3.340 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420293 495990098 /nfs/dbraw/zinc/99/00/98/495990098.db2.gz DTZHOVDWBMIAKH-MLGOLLRUSA-N 0 3 350.802 3.339 20 5 FGBDHN C[C@@H](NC[C@H](O)COCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180443808 495998423 /nfs/dbraw/zinc/99/84/23/495998423.db2.gz VRQHAWSDYOAKKN-DYVFJYSZSA-N 0 3 364.829 3.477 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000177333835 496021879 /nfs/dbraw/zinc/02/18/79/496021879.db2.gz SRYRHVKNZOKRMY-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177338415 496023451 /nfs/dbraw/zinc/02/34/51/496023451.db2.gz ZTEFESRTVBRAAD-UHFFFAOYSA-N 0 3 372.381 3.434 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000183675912 496074303 /nfs/dbraw/zinc/07/43/03/496074303.db2.gz WGCUKQWNHRBWHF-UHFFFAOYSA-N 0 3 351.756 3.365 20 5 FGBDHN C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000177478123 496076939 /nfs/dbraw/zinc/07/69/39/496076939.db2.gz WRPSEPYBFXGCLR-YZVOILCLSA-N 0 3 353.422 3.482 20 5 FGBDHN O=C(CCN1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186623923 496078189 /nfs/dbraw/zinc/07/81/89/496078189.db2.gz UAOFIXZZHJERMC-HXUWFJFHSA-N 0 3 367.405 3.055 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2cc(F)ccc2C1 ZINC000580726046 505823944 /nfs/dbraw/zinc/82/39/44/505823944.db2.gz IJPBEORGMVQLGX-WBMJQRKESA-N 0 3 373.384 3.044 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000180799341 496151196 /nfs/dbraw/zinc/15/11/96/496151196.db2.gz DYZBTJAOFITNHQ-HNNXBMFYSA-N 0 3 367.409 3.359 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000571844004 505826278 /nfs/dbraw/zinc/82/62/78/505826278.db2.gz WNSGPDCENIFHPE-AEFFLSMTSA-N 0 3 361.442 3.121 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174915998 496162526 /nfs/dbraw/zinc/16/25/26/496162526.db2.gz RMGRDYISHZDPFQ-QGZVFWFLSA-N 0 3 353.422 3.189 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000161377540 496163404 /nfs/dbraw/zinc/16/34/04/496163404.db2.gz YMYLOMJUHLMJDM-IBGZPJMESA-N 0 3 367.449 3.227 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186940197 496221562 /nfs/dbraw/zinc/22/15/62/496221562.db2.gz WRUSVIXEFWKKPJ-UHFFFAOYSA-N 0 3 374.412 3.182 20 5 FGBDHN CCNC(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000152755482 496246254 /nfs/dbraw/zinc/24/62/54/496246254.db2.gz UMHABNUHQRSBLI-CQSZACIVSA-N 0 3 374.466 3.217 20 5 FGBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)c2)CC1 ZINC000184285765 496319923 /nfs/dbraw/zinc/31/99/23/496319923.db2.gz OHBONOCTOHYAMU-UHFFFAOYSA-N 0 3 374.466 3.359 20 5 FGBDHN COc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187221874 496347131 /nfs/dbraw/zinc/34/71/31/496347131.db2.gz DLLHPYUFFNEOGH-ACJLOTCBSA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000162620402 496383979 /nfs/dbraw/zinc/38/39/79/496383979.db2.gz FENDFGKNPVQRHP-QGZVFWFLSA-N 0 3 356.426 3.198 20 5 FGBDHN CN(C(=O)CN[C@@H](Cc1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000181549944 496442091 /nfs/dbraw/zinc/44/20/91/496442091.db2.gz GANBCRQNPHNLPT-IBGZPJMESA-N 0 3 353.422 3.169 20 5 FGBDHN COCCC1(CN[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000184720663 496506299 /nfs/dbraw/zinc/50/62/99/496506299.db2.gz BVYIUUVYJNBFEL-HNNXBMFYSA-N 0 3 363.458 3.498 20 5 FGBDHN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163743964 496553798 /nfs/dbraw/zinc/55/37/98/496553798.db2.gz ZLNAYQHDIIIPAC-MRXNPFEDSA-N 0 3 355.438 3.278 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000181883133 496584665 /nfs/dbraw/zinc/58/46/65/496584665.db2.gz ORQWSESRQWYSRR-GOSISDBHSA-N 0 3 374.412 3.181 20 5 FGBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181897537 496590684 /nfs/dbraw/zinc/59/06/84/496590684.db2.gz RYDJQBZJRDKGCA-HFTRVMKXSA-N 0 3 374.412 3.352 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181897576 496591043 /nfs/dbraw/zinc/59/10/43/496591043.db2.gz RYDJQBZJRDKGCA-KYJSFNMBSA-N 0 3 374.412 3.352 20 5 FGBDHN COc1ccc(OCCN2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173289709 496628456 /nfs/dbraw/zinc/62/84/56/496628456.db2.gz GHFUYABFTKHYKV-MRXNPFEDSA-N 0 3 357.410 3.169 20 5 FGBDHN Cc1ccc(Sc2ccc(CNC[C@@]3(O)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000179029278 496650372 /nfs/dbraw/zinc/65/03/72/496650372.db2.gz JZURHQKPHJTKDZ-IBGZPJMESA-N 0 3 374.462 3.295 20 5 FGBDHN CCc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000173402252 496676529 /nfs/dbraw/zinc/67/65/29/496676529.db2.gz LZMZSTPJTUTAMD-QGZVFWFLSA-N 0 3 353.422 3.290 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173429623 496690328 /nfs/dbraw/zinc/69/03/28/496690328.db2.gz OZFZVMONADCJHQ-UHFFFAOYSA-N 0 3 368.437 3.282 20 5 FGBDHN CN(C)[C@@H](CNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179149794 496693544 /nfs/dbraw/zinc/69/35/44/496693544.db2.gz ZEBHMXBATUKTNE-SFHVURJKSA-N 0 3 373.478 3.247 20 5 FGBDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182256816 496721052 /nfs/dbraw/zinc/72/10/52/496721052.db2.gz BQCKKZRSNOFJCU-QGZVFWFLSA-N 0 3 374.437 3.254 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247448222 496861055 /nfs/dbraw/zinc/86/10/55/496861055.db2.gz PZZWNPXNISHJFL-CXAGYDPISA-N 0 3 374.466 3.173 20 5 FGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CNCC2 ZINC000269213664 496896841 /nfs/dbraw/zinc/89/68/41/496896841.db2.gz ORZCALRKPVJRBL-UHFFFAOYSA-N 0 3 354.410 3.071 20 5 FGBDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248074191 496953160 /nfs/dbraw/zinc/95/31/60/496953160.db2.gz MUAAQWYFWBXEEN-LRQRDZAKSA-N 0 3 369.465 3.128 20 5 FGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CO)c1ccccc1 ZINC000269568265 496971533 /nfs/dbraw/zinc/97/15/33/496971533.db2.gz MWXAIZPFMVXPHN-SFHVURJKSA-N 0 3 367.405 3.458 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192137044 497008242 /nfs/dbraw/zinc/00/82/42/497008242.db2.gz BOGCCFJZRISZDP-QAPCUYQASA-N 0 3 364.348 3.372 20 5 FGBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000248460528 497019154 /nfs/dbraw/zinc/01/91/54/497019154.db2.gz OMSHEUYYPYQNSC-RHSMWYFYSA-N 0 3 360.410 3.123 20 5 FGBDHN Cc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248753531 497098449 /nfs/dbraw/zinc/09/84/49/497098449.db2.gz FZLUPFCQJXQPEI-QAPCUYQASA-N 0 3 353.422 3.154 20 5 FGBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000274578002 497126607 /nfs/dbraw/zinc/12/66/07/497126607.db2.gz HBYYMBDGYFRXKP-QMTHXVAHSA-N 0 3 372.347 3.172 20 5 FGBDHN CC(C)N1CCN(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000270485172 497138371 /nfs/dbraw/zinc/13/83/71/497138371.db2.gz QBZSOQFWTZAUDR-UHFFFAOYSA-N 0 3 366.893 3.243 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](N4CCCCC4)C3)co2)cc1 ZINC000270586276 497154481 /nfs/dbraw/zinc/15/44/81/497154481.db2.gz JJVVSFWDISRDSP-GOSISDBHSA-N 0 3 356.426 3.310 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCc1nnc3n1CCCCC3)CCC2 ZINC000192640343 497171675 /nfs/dbraw/zinc/17/16/75/497171675.db2.gz SNCVKXXYJOCLMN-KRWDZBQOSA-N 0 3 355.442 3.122 20 5 FGBDHN COc1ccc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000237141156 497196990 /nfs/dbraw/zinc/19/69/90/497196990.db2.gz JUXWHNQCHBLASL-MRXNPFEDSA-N 0 3 357.410 3.157 20 5 FGBDHN Cc1ccnc([C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581020770 505892424 /nfs/dbraw/zinc/89/24/24/505892424.db2.gz NGGAPEQOKFNJLM-OAHLLOKOSA-N 0 3 354.410 3.116 20 5 FGBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000275348351 497297501 /nfs/dbraw/zinc/29/75/01/497297501.db2.gz SWJIDMRXMPHCKO-YOEHRIQHSA-N 0 3 364.833 3.218 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000237850876 497302697 /nfs/dbraw/zinc/30/26/97/497302697.db2.gz IAJYARZQPMXGQO-SNVBAGLBSA-N 0 3 351.756 3.222 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(c4ncc[nH]4)CC3)o2)c1 ZINC000266779938 497418174 /nfs/dbraw/zinc/41/81/74/497418174.db2.gz UUCFYCWOOMCRSS-UHFFFAOYSA-N 0 3 367.409 3.395 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000271749102 497437552 /nfs/dbraw/zinc/43/75/52/497437552.db2.gz RZMLRMMKGZFKRS-OAHLLOKOSA-N 0 3 374.441 3.331 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193766475 497474467 /nfs/dbraw/zinc/47/44/67/497474467.db2.gz LSMZOUXFPMNEPD-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193808524 497489723 /nfs/dbraw/zinc/48/97/23/497489723.db2.gz HVLKJLUOPQBGKY-KRWDZBQOSA-N 0 3 353.422 3.155 20 5 FGBDHN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245753914 497529854 /nfs/dbraw/zinc/52/98/54/497529854.db2.gz CSMGHHCTTXDHOJ-PNEXNCLXSA-N 0 3 367.833 3.122 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000262556387 497574087 /nfs/dbraw/zinc/57/40/87/497574087.db2.gz YUALOILFYVDCNS-KRWDZBQOSA-N 0 3 371.437 3.303 20 5 FGBDHN Cc1cc(NCCCc2nnc3n2CCCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000277024851 497719164 /nfs/dbraw/zinc/71/91/64/497719164.db2.gz NGYUEVRYCFEEGD-UHFFFAOYSA-N 0 3 366.425 3.424 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280621104 497828665 /nfs/dbraw/zinc/82/86/65/497828665.db2.gz ZUWCFDHKYNRRTE-NSHDSACASA-N 0 3 371.840 3.119 20 5 FGBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000364194386 497835386 /nfs/dbraw/zinc/83/53/86/497835386.db2.gz ANHNEVTUIXNIDT-YJBOKZPZSA-N 0 3 369.425 3.147 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364225555 497848310 /nfs/dbraw/zinc/84/83/10/497848310.db2.gz ZXZRXJRYDXZQGN-LPHOPBHVSA-N 0 3 368.437 3.063 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccncc1 ZINC000299575023 497853901 /nfs/dbraw/zinc/85/39/01/497853901.db2.gz HMHGFCWEYSJFMY-KRWDZBQOSA-N 0 3 370.409 3.164 20 5 FGBDHN COCCCCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299638419 497877290 /nfs/dbraw/zinc/87/72/90/497877290.db2.gz PMFWGFBNJWNOMQ-UHFFFAOYSA-N 0 3 366.336 3.061 20 5 FGBDHN CS[C@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572326974 505942038 /nfs/dbraw/zinc/94/20/38/505942038.db2.gz PINFKYYMUJJIIJ-MRVPVSSYSA-N 0 3 366.224 3.041 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000581329708 505962401 /nfs/dbraw/zinc/96/24/01/505962401.db2.gz BSUOQEMMOFFIFY-WFASDCNBSA-N 0 3 361.398 3.056 20 5 FGBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC000301267445 498029494 /nfs/dbraw/zinc/02/94/94/498029494.db2.gz IGLUGLGPTQMVSE-HNNXBMFYSA-N 0 3 350.806 3.367 20 5 FGBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC000301267447 498030143 /nfs/dbraw/zinc/03/01/43/498030143.db2.gz IGLUGLGPTQMVSE-OAHLLOKOSA-N 0 3 350.806 3.367 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000364633158 498059894 /nfs/dbraw/zinc/05/98/94/498059894.db2.gz JQMDVEWUDOHFFT-QMTHXVAHSA-N 0 3 351.453 3.141 20 5 FGBDHN Cc1ccc2cc(CN3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000364839018 498167746 /nfs/dbraw/zinc/16/77/46/498167746.db2.gz IAJYMVZCJCPTDH-KRWDZBQOSA-N 0 3 351.410 3.485 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292991086 498225068 /nfs/dbraw/zinc/22/50/68/498225068.db2.gz NZWHVHPPDVRIQV-KUHUBIRLSA-N 0 3 371.441 3.124 20 5 FGBDHN CN1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccccc1 ZINC000301825791 498281455 /nfs/dbraw/zinc/28/14/55/498281455.db2.gz DWYIDZRMRCWHHT-FOIQADDNSA-N 0 3 366.421 3.337 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000581540185 506010913 /nfs/dbraw/zinc/01/09/13/506010913.db2.gz OWNCXAMELBPZOX-OGHNNQOOSA-N 0 3 363.483 3.119 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301864593 498301564 /nfs/dbraw/zinc/30/15/64/498301564.db2.gz GPZXYGJJHVXMQC-HOTGVXAUSA-N 0 3 361.829 3.296 20 5 FGBDHN Cc1cc(N2CCC(N3CCO[C@@H](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301991478 498359779 /nfs/dbraw/zinc/35/97/79/498359779.db2.gz GASPMSNOWZCZBW-HNNXBMFYSA-N 0 3 370.453 3.141 20 5 FGBDHN CCN1CCC(N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000361516710 498403194 /nfs/dbraw/zinc/40/31/94/498403194.db2.gz ZVIGZAWWMNZOFN-UHFFFAOYSA-N 0 3 351.834 3.337 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160689 498422177 /nfs/dbraw/zinc/42/21/77/498422177.db2.gz GXVLVAKBPQIMDI-JSGCOSHPSA-N 0 3 357.439 3.236 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603987 498508508 /nfs/dbraw/zinc/50/85/08/498508508.db2.gz HHSRBHMIRUJPCJ-MFKMUULPSA-N 0 3 359.348 3.026 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cnn(CCOC)c1 ZINC000282446227 498515861 /nfs/dbraw/zinc/51/58/61/498515861.db2.gz FBYOXNLDTFGFQA-OAHLLOKOSA-N 0 3 364.471 3.098 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000332081582 498554843 /nfs/dbraw/zinc/55/48/43/498554843.db2.gz MIIXCXKDSJZAQY-UHFFFAOYSA-N 0 3 374.485 3.038 20 5 FGBDHN Cc1nc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302782218 498571677 /nfs/dbraw/zinc/57/16/77/498571677.db2.gz KCUZWOAURHAECV-KRWDZBQOSA-N 0 3 356.426 3.001 20 5 FGBDHN CC(C)(NC(=O)C1C[C@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000294202709 498619508 /nfs/dbraw/zinc/61/95/08/498619508.db2.gz TUWLKTNYWBDKLE-RHSMWYFYSA-N 0 3 368.389 3.251 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365739047 498619652 /nfs/dbraw/zinc/61/96/52/498619652.db2.gz HUALFRCZYGEWNH-CVEARBPZSA-N 0 3 371.462 3.250 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000366019467 498736687 /nfs/dbraw/zinc/73/66/87/498736687.db2.gz ZUDYYZRVQSETJS-CYBMUJFWSA-N 0 3 374.372 3.258 20 5 FGBDHN CN(C)CCOc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172575 506094311 /nfs/dbraw/zinc/09/43/11/506094311.db2.gz QDHQKIBPGPILMS-SFHVURJKSA-N 0 3 355.438 3.312 20 5 FGBDHN O=C(CCN1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352252 498860296 /nfs/dbraw/zinc/86/02/96/498860296.db2.gz RBDDTBUOEFLGSI-PBHICJAKSA-N 0 3 373.409 3.105 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000298802568 498881765 /nfs/dbraw/zinc/88/17/65/498881765.db2.gz ZDGRYDASBSOOBP-KRWDZBQOSA-N 0 3 372.425 3.108 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000363625151 498910407 /nfs/dbraw/zinc/91/04/07/498910407.db2.gz SEYCQQZRTSAFRQ-QGZVFWFLSA-N 0 3 353.422 3.237 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283576132 498928437 /nfs/dbraw/zinc/92/84/37/498928437.db2.gz OSHMQGCIEUPDEI-INIZCTEOSA-N 0 3 353.422 3.189 20 5 FGBDHN CCC[C@H](N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363760480 498979230 /nfs/dbraw/zinc/97/92/30/498979230.db2.gz YXUVKMQUMFWHGM-MJGOQNOKSA-N 0 3 368.437 3.335 20 5 FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295365410 498994026 /nfs/dbraw/zinc/99/40/26/498994026.db2.gz OBHMVYFMELZLHU-CYBMUJFWSA-N 0 3 371.359 3.360 20 5 FGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284385777 499098895 /nfs/dbraw/zinc/09/88/95/499098895.db2.gz MJECDGKVUWWITB-UHFFFAOYSA-N 0 3 372.400 3.473 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CC2)OCc2ccccc23)c1 ZINC000372727215 499167068 /nfs/dbraw/zinc/16/70/68/499167068.db2.gz MQULHDJDSQQAGO-IBGZPJMESA-N 0 3 354.406 3.150 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3cccc(Cl)c3)CC2)n1 ZINC000370059556 499172559 /nfs/dbraw/zinc/17/25/59/499172559.db2.gz JHNGYCARPPFAOI-UHFFFAOYSA-N 0 3 350.806 3.161 20 5 FGBDHN C[C@@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000367432408 499198290 /nfs/dbraw/zinc/19/82/90/499198290.db2.gz RTWAVVYLRNUTML-QAPCUYQASA-N 0 3 353.422 3.089 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000371721758 499358752 /nfs/dbraw/zinc/35/87/52/499358752.db2.gz BEUCVSJSBYNHSG-GOEBONIOSA-N 0 3 357.410 3.170 20 5 FGBDHN CCCN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000369152818 499371385 /nfs/dbraw/zinc/37/13/85/499371385.db2.gz AMEOWPQXDGDJTJ-UHFFFAOYSA-N 0 3 366.893 3.245 20 5 FGBDHN Cc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568156 499419183 /nfs/dbraw/zinc/41/91/83/499419183.db2.gz KCAPDVNQSZATNX-WMLDXEAASA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369569010 499419782 /nfs/dbraw/zinc/41/97/82/499419782.db2.gz MRUWZXYFXLOUSX-DYVFJYSZSA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369672725 499435163 /nfs/dbraw/zinc/43/51/63/499435163.db2.gz SDHIKVCRHSSRCO-KBXCAEBGSA-N 0 3 359.451 3.008 20 5 FGBDHN O=C([C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000369712985 499438290 /nfs/dbraw/zinc/43/82/90/499438290.db2.gz RSUKOFRYJVBURQ-OCCSQVGLSA-N 0 3 351.834 3.129 20 5 FGBDHN O=C(CCN1CCC(F)(c2cccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375349627 499509593 /nfs/dbraw/zinc/50/95/93/499509593.db2.gz OIFSYLQGCPQPBR-UHFFFAOYSA-N 0 3 372.400 3.279 20 5 FGBDHN Cc1c(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000378441241 499517178 /nfs/dbraw/zinc/51/71/78/499517178.db2.gz FSDJUHHFBIFLLT-UHFFFAOYSA-N 0 3 370.409 3.024 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000573237592 506150545 /nfs/dbraw/zinc/15/05/45/506150545.db2.gz QXYWGZPUGTXXBW-QAPCUYQASA-N 0 3 353.422 3.296 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411180282 499707321 /nfs/dbraw/zinc/70/73/21/499707321.db2.gz DEOFOPWHGZYBBC-RBUKOAKNSA-N 0 3 353.422 3.076 20 5 FGBDHN Cn1cc([C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000411470385 499744537 /nfs/dbraw/zinc/74/45/37/499744537.db2.gz CBRDGYPDECHRIG-QGZVFWFLSA-N 0 3 359.430 3.034 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCOc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377954602 499750826 /nfs/dbraw/zinc/75/08/26/499750826.db2.gz NMXKZOSJPHIKRZ-OAHLLOKOSA-N 0 3 369.421 3.057 20 5 FGBDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411634623 499771261 /nfs/dbraw/zinc/77/12/61/499771261.db2.gz ADRQFXYQNXUMCV-LJQANCHMSA-N 0 3 371.437 3.273 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414317209 499777047 /nfs/dbraw/zinc/77/70/47/499777047.db2.gz OYOHDZDSKMPASZ-RDTXWAMCSA-N 0 3 371.412 3.450 20 5 FGBDHN COC[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414484777 499798105 /nfs/dbraw/zinc/79/81/05/499798105.db2.gz HBTZGUWWYUIPMH-STQMWFEESA-N 0 3 366.801 3.090 20 5 FGBDHN COc1cc(CN[C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411940990 499805255 /nfs/dbraw/zinc/80/52/55/499805255.db2.gz GSQLCUDSYGULGI-QGHHPUGFSA-N 0 3 374.384 3.498 20 5 FGBDHN COC(=O)[C@@]1(C)CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000412079378 499821314 /nfs/dbraw/zinc/82/13/14/499821314.db2.gz VBTKMGIMXGSYES-IBGZPJMESA-N 0 3 373.409 3.067 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000412563701 499863766 /nfs/dbraw/zinc/86/37/66/499863766.db2.gz LYYKYMKMACDGMA-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000413287182 499937562 /nfs/dbraw/zinc/93/75/62/499937562.db2.gz FEHNJIQELRPEOX-RBUKOAKNSA-N 0 3 353.422 3.293 20 5 FGBDHN CN(C)C1(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000416290365 500007644 /nfs/dbraw/zinc/00/76/44/500007644.db2.gz LRFIUDQPRKPMPD-UHFFFAOYSA-N 0 3 354.410 3.162 20 5 FGBDHN O=[N+]([O-])c1cc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)[nH]n1 ZINC000417271558 500024832 /nfs/dbraw/zinc/02/48/32/500024832.db2.gz SNVNPOVUHKFFMV-UHFFFAOYSA-N 0 3 354.370 3.021 20 5 FGBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n(C2CCN(C)CC2)n1 ZINC000421487870 500061244 /nfs/dbraw/zinc/06/12/44/500061244.db2.gz RPRMEQMCAKPEFZ-UHFFFAOYSA-N 0 3 371.441 3.236 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H](N2CCCCC2)C1 ZINC000425409952 500096371 /nfs/dbraw/zinc/09/63/71/500096371.db2.gz WRGKZNLLTXYVDJ-OAHLLOKOSA-N 0 3 368.275 3.418 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000413961546 500109294 /nfs/dbraw/zinc/10/92/94/500109294.db2.gz RYUKXUSWBTWHIE-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552187 506184543 /nfs/dbraw/zinc/18/45/43/506184543.db2.gz FAAIOANQIQJOCM-OXQOHEQNSA-N 0 3 356.422 3.137 20 5 FGBDHN CC(C)(NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000418645031 500299950 /nfs/dbraw/zinc/29/99/50/500299950.db2.gz VSUXUUNHXMQKGU-SFHVURJKSA-N 0 3 368.437 3.016 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CCCN2 ZINC000423416943 500373171 /nfs/dbraw/zinc/37/31/71/500373171.db2.gz RQYPLHLKELPQDL-CQSZACIVSA-N 0 3 368.437 3.460 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000427381423 500387367 /nfs/dbraw/zinc/38/73/67/500387367.db2.gz GPYFRTIDSSEFFM-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN COc1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000431683935 500408308 /nfs/dbraw/zinc/40/83/08/500408308.db2.gz DRQUMEABXIUUFW-AUUYWEPGSA-N 0 3 358.394 3.176 20 5 FGBDHN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1[C@H](C)CC[C@H]1C ZINC000427605683 500410799 /nfs/dbraw/zinc/41/07/99/500410799.db2.gz BYSFCKNLYIDCJE-UTUOFQBUSA-N 0 3 373.375 3.491 20 5 FGBDHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424343620 500489543 /nfs/dbraw/zinc/48/95/43/500489543.db2.gz GZYQIJCIKACXAT-AAEUAGOBSA-N 0 3 373.434 3.121 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420988018 500548783 /nfs/dbraw/zinc/54/87/83/500548783.db2.gz SBQWSDGKJYPFQM-RDJZCZTQSA-N 0 3 366.364 3.321 20 5 FGBDHN CCOc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OC ZINC000447532022 500618870 /nfs/dbraw/zinc/61/88/70/500618870.db2.gz UGVKTKYTCOFRLN-HOTGVXAUSA-N 0 3 374.441 3.472 20 5 FGBDHN C[C@@H]1CN(CCCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000433134406 500632884 /nfs/dbraw/zinc/63/28/84/500632884.db2.gz QWINABNMRUEDFE-SPYBWZPUSA-N 0 3 361.486 3.406 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433194851 500644184 /nfs/dbraw/zinc/64/41/84/500644184.db2.gz ZHTJCIYQMCEFTK-MRXNPFEDSA-N 0 3 368.437 3.121 20 5 FGBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000443522009 500733896 /nfs/dbraw/zinc/73/38/96/500733896.db2.gz LAXPWIJYJWXJLH-UHFFFAOYSA-N 0 3 366.874 3.451 20 5 FGBDHN CC1CCN(c2ccc(C(=O)NCC3(N(C)C)CCC3)cc2[N+](=O)[O-])CC1 ZINC000438519248 500796783 /nfs/dbraw/zinc/79/67/83/500796783.db2.gz RHJWANJEUMPGAB-UHFFFAOYSA-N 0 3 374.485 3.045 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000438563857 500801415 /nfs/dbraw/zinc/80/14/15/500801415.db2.gz OWFYCXQTGPIKNG-UHFFFAOYSA-N 0 3 352.394 3.433 20 5 FGBDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444682015 500878001 /nfs/dbraw/zinc/87/80/01/500878001.db2.gz SFTUWRAUUVDZQR-OCCSQVGLSA-N 0 3 363.414 3.163 20 5 FGBDHN Cc1ccc([C@@]2(C)CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000434746487 500887841 /nfs/dbraw/zinc/88/78/41/500887841.db2.gz JMHUVKTVMPLDRS-FQEVSTJZSA-N 0 3 353.422 3.166 20 5 FGBDHN COc1cc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888415 /nfs/dbraw/zinc/88/84/15/500888415.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 0 3 370.453 3.123 20 5 FGBDHN C[C@@H](NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000449093034 500923259 /nfs/dbraw/zinc/92/32/59/500923259.db2.gz UVVYKNNQDVXBTD-ZIAGYGMSSA-N 0 3 362.451 3.453 20 5 FGBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000439692428 500926796 /nfs/dbraw/zinc/92/67/96/500926796.db2.gz PXAOPDCRQKUDGP-MRXNPFEDSA-N 0 3 365.499 3.314 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000439881031 500949600 /nfs/dbraw/zinc/94/96/00/500949600.db2.gz BGCWUIXIJUKTDG-KBPBESRZSA-N 0 3 364.446 3.378 20 5 FGBDHN COc1ccc(OCCN(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056447 501081645 /nfs/dbraw/zinc/08/16/45/501081645.db2.gz YLQJNTYJSMFNRM-VLIAUNLRSA-N 0 3 372.421 3.306 20 5 FGBDHN CCN1CCC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436254891 501096446 /nfs/dbraw/zinc/09/64/46/501096446.db2.gz UZTQNYQLHBQSCK-HNNXBMFYSA-N 0 3 363.461 3.143 20 5 FGBDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC000436376460 501116459 /nfs/dbraw/zinc/11/64/59/501116459.db2.gz HSQJGZCRFLGBIP-PKOBYXMFSA-N 0 3 350.459 3.374 20 5 FGBDHN COc1cccc2c1CC[C@@H](NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000446835009 501170773 /nfs/dbraw/zinc/17/07/73/501170773.db2.gz JBUWQBCBHNIBMG-CYBMUJFWSA-N 0 3 352.394 3.127 20 5 FGBDHN COc1ccc2c(c1)C[C@H](NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000446842551 501172452 /nfs/dbraw/zinc/17/24/52/501172452.db2.gz WYZVZYJEBPGQKD-CQSZACIVSA-N 0 3 352.394 3.127 20 5 FGBDHN CC[NH+](CC)CCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596078163 506244839 /nfs/dbraw/zinc/24/48/39/506244839.db2.gz MNOWCOPTQQNLBR-UHFFFAOYSA-N 0 3 360.414 3.028 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(C3CCN(C4CC4)CC3)n2)c2c1NCCC2 ZINC000453238572 501296808 /nfs/dbraw/zinc/29/68/08/501296808.db2.gz OFWODNHVHSPFFY-UHFFFAOYSA-N 0 3 369.425 3.345 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451480786 501302879 /nfs/dbraw/zinc/30/28/79/501302879.db2.gz QAGZOJBHQQHGNB-HUUCEWRRSA-N 0 3 367.833 3.124 20 5 FGBDHN COc1ncc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1Cl ZINC000453302851 501311255 /nfs/dbraw/zinc/31/12/55/501311255.db2.gz ZJMMGGFEHFYDBJ-KGLIPLIRSA-N 0 3 365.821 3.122 20 5 FGBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)C(C)C ZINC000451589321 501331264 /nfs/dbraw/zinc/33/12/64/501331264.db2.gz AANOHNTZSFZIES-SUMWQHHRSA-N 0 3 371.865 3.065 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]([C@H](CO)C3CC3)C3CC3)co2)cc1 ZINC000451592212 501332444 /nfs/dbraw/zinc/33/24/44/501332444.db2.gz BOYJHMXSFDIIBG-QZTJIDSGSA-N 0 3 357.410 3.137 20 5 FGBDHN COc1ccc(-c2ccc(CNCCc3cnc(C)cn3)o2)c([N+](=O)[O-])c1 ZINC000453600273 501358073 /nfs/dbraw/zinc/35/80/73/501358073.db2.gz SHYNEYKWBGDWCN-UHFFFAOYSA-N 0 3 368.393 3.294 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3cccc(F)c3F)CC2)n1 ZINC000451963393 501409885 /nfs/dbraw/zinc/40/98/85/501409885.db2.gz ZEDFSBLMVRHJJW-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456352085 501507515 /nfs/dbraw/zinc/50/75/15/501507515.db2.gz XWBDIAUTPFDONV-KRWDZBQOSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454496826 501560847 /nfs/dbraw/zinc/56/08/47/501560847.db2.gz VFOCXZVWXNPUSY-HOTGVXAUSA-N 0 3 370.453 3.476 20 5 FGBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452856580 501575349 /nfs/dbraw/zinc/57/53/49/501575349.db2.gz PUEXNCMIMATPQL-MJGOQNOKSA-N 0 3 357.454 3.175 20 5 FGBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000453039348 501606453 /nfs/dbraw/zinc/60/64/53/501606453.db2.gz RAMNLICPIHTXAM-BEFAXECRSA-N 0 3 366.421 3.115 20 5 FGBDHN COc1cc(CNC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000598992471 506266521 /nfs/dbraw/zinc/26/65/21/506266521.db2.gz PAMSPDTYQFYQMG-MRXNPFEDSA-N 0 3 363.458 3.109 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459643363 501691805 /nfs/dbraw/zinc/69/18/05/501691805.db2.gz OJQPDXYFXDWYIC-CABCVRRESA-N 0 3 356.426 3.318 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCN2C2CCCC2)c1 ZINC000599000038 506271082 /nfs/dbraw/zinc/27/10/82/506271082.db2.gz RCCHGTNYTKVJEA-HNNXBMFYSA-N 0 3 355.385 3.303 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000474342910 501797237 /nfs/dbraw/zinc/79/72/37/501797237.db2.gz AVCHGUBCWAXUPM-CVEARBPZSA-N 0 3 362.426 3.205 20 5 FGBDHN Cc1nc(NC2CCN(CCOc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000474786386 501952000 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Cc1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461783021 502199905 /nfs/dbraw/zinc/19/99/05/502199905.db2.gz CMHVWNZPIGCSHV-GJZGRUSLSA-N 0 3 365.449 3.368 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475582925 502218607 /nfs/dbraw/zinc/21/86/07/502218607.db2.gz UWGUPZLSEMYWDE-KRWDZBQOSA-N 0 3 370.405 3.136 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCCO)Cc1ccccc1 ZINC000486810023 502270165 /nfs/dbraw/zinc/27/01/65/502270165.db2.gz PWGDMMOREUJLSM-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000469335648 502379280 /nfs/dbraw/zinc/37/92/80/502379280.db2.gz WNFDBRQOUAXIJD-LBPRGKRZSA-N 0 3 368.480 3.171 20 5 FGBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000472678594 502416334 /nfs/dbraw/zinc/41/63/34/502416334.db2.gz PUTVETQVASWOJZ-UHFFFAOYSA-N 0 3 356.426 3.099 20 5 FGBDHN CN(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462510798 502470355 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372.421 3.092 20 5 FGBDHN Cc1ccc(CNC[C@H](c2cccs2)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000521333498 504712391 /nfs/dbraw/zinc/71/23/91/504712391.db2.gz KBQOUNZATMQDMI-GOSISDBHSA-N 0 3 374.510 3.043 20 5 FGBDHN CN1CCN(CCCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000552939700 504791418 /nfs/dbraw/zinc/79/14/18/504791418.db2.gz VFJMKCXHTFFRGL-UHFFFAOYSA-N 0 3 361.273 3.341 20 5 FGBDHN CCCN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000553028937 504808518 /nfs/dbraw/zinc/80/85/18/504808518.db2.gz UCNUVCZJQOBIOT-OAHLLOKOSA-N 0 3 364.833 3.389 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000553066408 504818350 /nfs/dbraw/zinc/81/83/50/504818350.db2.gz DPDYVYPDMFFBSW-UHFFFAOYSA-N 0 3 351.472 3.265 20 5 FGBDHN Cc1c(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000553284949 504873134 /nfs/dbraw/zinc/87/31/34/504873134.db2.gz KUHLIPFEVVJAGF-ZDUSSCGKSA-N 0 3 363.439 3.126 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000553336302 504887201 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3.234 20 5 FGBDHN CC[C@@H]1CCCCN1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524946 505114416 /nfs/dbraw/zinc/11/44/16/505114416.db2.gz RXOOLLQYPUBSRT-IEBWSBKVSA-N 0 3 371.485 3.272 20 5 FGBDHN CN(C)[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000554217632 505118559 /nfs/dbraw/zinc/11/85/59/505118559.db2.gz FRWDXCIVGNGOKO-LJQANCHMSA-N 0 3 370.453 3.082 20 5 FGBDHN Cc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000554354933 505152834 /nfs/dbraw/zinc/15/28/34/505152834.db2.gz QNZFBMKFSLURJC-MRXNPFEDSA-N 0 3 360.389 3.467 20 5 FGBDHN C[C@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000557662342 505196327 /nfs/dbraw/zinc/19/63/27/505196327.db2.gz LURFUSNTURBFJZ-HXUWFJFHSA-N 0 3 368.437 3.160 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccc(F)cc2C1 ZINC000563834023 505251961 /nfs/dbraw/zinc/25/19/61/505251961.db2.gz IXIDSHYSUYKYHC-MLGOLLRUSA-N 0 3 373.384 3.044 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000551573308 505257416 /nfs/dbraw/zinc/25/74/16/505257416.db2.gz ZQICVSAWDGBWQW-YJBOKZPZSA-N 0 3 356.422 3.413 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](CO)c3cccnc3)o2)c1 ZINC000558119802 505312605 /nfs/dbraw/zinc/31/26/05/505312605.db2.gz OPJKOPKPLMMPHN-INIZCTEOSA-N 0 3 353.378 3.116 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccco1 ZINC000561357848 505325080 /nfs/dbraw/zinc/32/50/80/505325080.db2.gz MXEXDJAVVFAJIA-DOMZBBRYSA-N 0 3 360.414 3.089 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000561392911 505334051 /nfs/dbraw/zinc/33/40/51/505334051.db2.gz QSMOJYQGGOEYJX-KBRIMQKVSA-N 0 3 361.442 3.249 20 5 FGBDHN CCN1CCN(CCCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000555119779 505355075 /nfs/dbraw/zinc/35/50/75/505355075.db2.gz LDBQNMOIBJOGJJ-UHFFFAOYSA-N 0 3 374.407 3.362 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000567078916 505357287 /nfs/dbraw/zinc/35/72/87/505357287.db2.gz 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/nfs/dbraw/zinc/79/28/53/495792853.db2.gz OOOUCMFAGZXSSL-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN O=C(CCN1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155011132 495802616 /nfs/dbraw/zinc/80/26/16/495802616.db2.gz OLANTHHTEQFRPG-KRWDZBQOSA-N 0 3 368.437 3.500 20 5 FGBDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183028557 495804046 /nfs/dbraw/zinc/80/40/46/495804046.db2.gz NHGBQBGOFARSOB-NXEZZACHSA-N 0 3 358.236 3.320 20 5 FGBDHN Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000151330665 495806335 /nfs/dbraw/zinc/80/63/35/495806335.db2.gz RBUAWTZXGQCVFP-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000151360463 495815268 /nfs/dbraw/zinc/81/52/68/495815268.db2.gz JTFQDETXLDLMSP-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN C[C@@H](C(=O)NCCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183156914 495859434 /nfs/dbraw/zinc/85/94/34/495859434.db2.gz GBIASGXPAWVMPL-CQSZACIVSA-N 0 3 359.401 3.086 20 5 FGBDHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183277534 495911322 /nfs/dbraw/zinc/91/13/22/495911322.db2.gz URWKCTRJEYXVNI-QGZVFWFLSA-N 0 3 368.437 3.457 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186300562 495935148 /nfs/dbraw/zinc/93/51/48/495935148.db2.gz AOLJMHFNWFLCFV-LJQANCHMSA-N 0 3 353.422 3.331 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000183348762 495941383 /nfs/dbraw/zinc/94/13/83/495941383.db2.gz MUEUDSPPHIVPCR-ZIAGYGMSSA-N 0 3 357.410 3.324 20 5 FGBDHN COc1ccc([C@@H](C)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000180344443 495959763 /nfs/dbraw/zinc/95/97/63/495959763.db2.gz HUEZRGQLVHVSSX-HOCLYGCPSA-N 0 3 356.426 3.288 20 5 FGBDHN C[C@@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171643355 495962893 /nfs/dbraw/zinc/96/28/93/495962893.db2.gz MFSWNWXKTQVHHJ-QAPCUYQASA-N 0 3 360.458 3.316 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000183591260 496040691 /nfs/dbraw/zinc/04/06/91/496040691.db2.gz MBFFNDFYMNAGMI-QGZVFWFLSA-N 0 3 369.425 3.257 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160885802 496061100 /nfs/dbraw/zinc/06/11/00/496061100.db2.gz WKUCQLAFZXCQRP-GDBMZVCRSA-N 0 3 368.437 3.029 20 5 FGBDHN C[C@@](CO)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000174792692 496108050 /nfs/dbraw/zinc/10/80/50/496108050.db2.gz WMNVJMMRPGEWQK-KRWDZBQOSA-N 0 3 369.849 3.108 20 5 FGBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171982896 496117594 /nfs/dbraw/zinc/11/75/94/496117594.db2.gz JQWAZZNDSGJYJG-UHFFFAOYSA-N 0 3 359.451 3.428 20 5 FGBDHN CSc1cccc(C(=O)N(CCN(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000186740185 496130007 /nfs/dbraw/zinc/13/00/07/496130007.db2.gz VJSQTHPBFZMHHC-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@]2(CCO)CCOC2)c2ccccc2)c1 ZINC000180776286 496142348 /nfs/dbraw/zinc/14/23/48/496142348.db2.gz PXBBVJALCSUAMF-UXHICEINSA-N 0 3 356.422 3.063 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000580743657 505827673 /nfs/dbraw/zinc/82/76/73/505827673.db2.gz HRUURLKTFJIVET-QGZVFWFLSA-N 0 3 355.438 3.471 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)Nc2cccc3c2CCNC3)cc1[N+](=O)[O-] ZINC000571863279 505831976 /nfs/dbraw/zinc/83/19/76/505831976.db2.gz HEPQERLIYNRRFX-CYBMUJFWSA-N 0 3 354.410 3.432 20 5 FGBDHN CC(C)C(=O)NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181023095 496244306 /nfs/dbraw/zinc/24/43/06/496244306.db2.gz BHSBQCNBYAZDJB-LJQANCHMSA-N 0 3 355.438 3.436 20 5 FGBDHN C[C@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780566 505836704 /nfs/dbraw/zinc/83/67/04/505836704.db2.gz DWDWHKPYIMYXEG-HRAATJIYSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1c(CN(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000580813672 505843933 /nfs/dbraw/zinc/84/39/33/505843933.db2.gz KEXQOCMJNXOPPI-LAUBAEHRSA-N 0 3 370.449 3.445 20 5 FGBDHN Cc1c(CN(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000580813670 505844049 /nfs/dbraw/zinc/84/40/49/505844049.db2.gz KEXQOCMJNXOPPI-DYESRHJHSA-N 0 3 370.449 3.445 20 5 FGBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178457572 496463855 /nfs/dbraw/zinc/46/38/55/496463855.db2.gz DUXQPGZGJXDTLL-JKSUJKDBSA-N 0 3 350.415 3.145 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000184846310 496554640 /nfs/dbraw/zinc/55/46/40/496554640.db2.gz HJYDLRKYIDVBMJ-CYBMUJFWSA-N 0 3 363.389 3.021 20 5 FGBDHN CCOc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181825871 496561064 /nfs/dbraw/zinc/56/10/64/496561064.db2.gz WVWJCYSRPKNIDG-DOTOQJQBSA-N 0 3 374.437 3.392 20 5 FGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181860322 496575332 /nfs/dbraw/zinc/57/53/32/496575332.db2.gz LWBRQYOOHRVMEH-OCCSQVGLSA-N 0 3 365.455 3.101 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000164063898 496582459 /nfs/dbraw/zinc/58/24/59/496582459.db2.gz MRTQMPVSSFLGFP-CQSZACIVSA-N 0 3 353.488 3.413 20 5 FGBDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000173434199 496691709 /nfs/dbraw/zinc/69/17/09/496691709.db2.gz ZBDQTCXGLRCGFT-SCWSEQNSSA-N 0 3 369.465 3.128 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179262059 496722630 /nfs/dbraw/zinc/72/26/30/496722630.db2.gz LDFZMTGBLPITTH-MJGOQNOKSA-N 0 3 368.437 3.182 20 5 FGBDHN CCC[C@]1(COC)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000194928080 496763224 /nfs/dbraw/zinc/76/32/24/496763224.db2.gz PVSSLHFUWYFYAW-GOSISDBHSA-N 0 3 360.414 3.426 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247352315 496843435 /nfs/dbraw/zinc/84/34/35/496843435.db2.gz JUKBGZSIJONDEC-SPYVTISKSA-N 0 3 351.834 3.060 20 5 FGBDHN Cc1cc(N2CCC[C@H](NCc3cc(Cl)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277813731 496897181 /nfs/dbraw/zinc/89/71/81/496897181.db2.gz ZEOGKZJCLIGFSS-HNNXBMFYSA-N 0 3 363.849 3.049 20 5 FGBDHN CC(=O)NC1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264531091 496921926 /nfs/dbraw/zinc/92/19/26/496921926.db2.gz JIYBLRQHURPYTE-UHFFFAOYSA-N 0 3 357.410 3.392 20 5 FGBDHN CN1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000247977907 496937598 /nfs/dbraw/zinc/93/75/98/496937598.db2.gz GUUBBWYWKZGAHL-UYAOXDASSA-N 0 3 353.422 3.089 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000195625174 496955686 /nfs/dbraw/zinc/95/56/86/496955686.db2.gz UONNIHBFQXIERW-KFWWJZLASA-N 0 3 365.499 3.170 20 5 FGBDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248372648 496986481 /nfs/dbraw/zinc/98/64/81/496986481.db2.gz BHRUOWISLWDTQU-SJLPKXTDSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H](NCCC(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000189159489 497028252 /nfs/dbraw/zinc/02/82/52/497028252.db2.gz BIJRZNLCCNIRBS-HNNXBMFYSA-N 0 3 353.422 3.220 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248563478 497041371 /nfs/dbraw/zinc/04/13/71/497041371.db2.gz KARWMLRYWOMBQD-ZIAGYGMSSA-N 0 3 351.422 3.218 20 5 FGBDHN C[C@@H](C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248617017 497059039 /nfs/dbraw/zinc/05/90/39/497059039.db2.gz ZFKDMKGALWVMJL-HZSPNIEDSA-N 0 3 351.422 3.074 20 5 FGBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000274486148 497108924 /nfs/dbraw/zinc/10/89/24/497108924.db2.gz OZWQCVGGHSCHJZ-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN CN1CC=C(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278539101 497148081 /nfs/dbraw/zinc/14/80/81/497148081.db2.gz UUFGQFKLALKRBI-UHFFFAOYSA-N 0 3 366.290 3.318 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249121164 497171114 /nfs/dbraw/zinc/17/11/14/497171114.db2.gz HCTBZGSMDHHKGK-CHWSQXEVSA-N 0 3 351.472 3.167 20 5 FGBDHN CSc1cccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000249138612 497172754 /nfs/dbraw/zinc/17/27/54/497172754.db2.gz PCKDFSSVFYFZFQ-STQMWFEESA-N 0 3 351.472 3.167 20 5 FGBDHN O=C(NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000192713490 497192639 /nfs/dbraw/zinc/19/26/39/497192639.db2.gz PSKHOZWXYAMJRZ-GOSISDBHSA-N 0 3 357.385 3.131 20 5 FGBDHN O=C(CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 ZINC000192787901 497214246 /nfs/dbraw/zinc/21/42/46/497214246.db2.gz OEIGRZCEKKFBBR-IBGZPJMESA-N 0 3 353.422 3.268 20 5 FGBDHN C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266072762 497247998 /nfs/dbraw/zinc/24/79/98/497247998.db2.gz DFDXFIFRKGFVFL-RHSMWYFYSA-N 0 3 361.467 3.380 20 5 FGBDHN COc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000266359048 497314661 /nfs/dbraw/zinc/31/46/61/497314661.db2.gz KJIXPTGZZWNDBO-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN COc1ccccc1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275632632 497387774 /nfs/dbraw/zinc/38/77/74/497387774.db2.gz QQCAYHGHIZDQAT-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000271686835 497419222 /nfs/dbraw/zinc/41/92/22/497419222.db2.gz KXQQNZQRIWIQNT-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN CN(CCSCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000193617295 497429188 /nfs/dbraw/zinc/42/91/88/497429188.db2.gz PSBJOXVYTWVZRU-UHFFFAOYSA-N 0 3 373.478 3.423 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245526146 497441045 /nfs/dbraw/zinc/44/10/45/497441045.db2.gz OUZBJPOZVGGQHN-YZVOILCLSA-N 0 3 357.454 3.440 20 5 FGBDHN COc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)cc([N+](=O)[O-])c1OC ZINC000267128263 497488943 /nfs/dbraw/zinc/48/89/43/497488943.db2.gz CRSQTEYCPSHFPF-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN CC(=O)N1CCC[C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000279633012 497492962 /nfs/dbraw/zinc/49/29/62/497492962.db2.gz CBZDQMNZCYSJAO-HNNXBMFYSA-N 0 3 357.410 3.203 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245962943 497585298 /nfs/dbraw/zinc/58/52/98/497585298.db2.gz MUVYIPRAHXKGHP-PKOBYXMFSA-N 0 3 374.485 3.043 20 5 FGBDHN C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC[C@@H](C)C1 ZINC000246470770 497744917 /nfs/dbraw/zinc/74/49/17/497744917.db2.gz AOPLFGFTBMVDFA-HZPDHXFCSA-N 0 3 374.485 3.389 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000246514500 497759422 /nfs/dbraw/zinc/75/94/22/497759422.db2.gz BLYIDARKSCDXMZ-GUYCJALGSA-N 0 3 374.466 3.051 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246675356 497798309 /nfs/dbraw/zinc/79/83/09/497798309.db2.gz ILXXQJXNPFMNRI-STQMWFEESA-N 0 3 353.850 3.027 20 5 FGBDHN Cn1cc(CN2CCC[C@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239352 498030563 /nfs/dbraw/zinc/03/05/63/498030563.db2.gz SKMLBNHZWLWDPF-ZWKOTPCHSA-N 0 3 356.426 3.139 20 5 FGBDHN Cc1ccnc(NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304940 498048737 /nfs/dbraw/zinc/04/87/37/498048737.db2.gz TYFRTDMIUQEPSM-GOSISDBHSA-N 0 3 369.469 3.089 20 5 FGBDHN COCC(C)(C)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000292702756 498114574 /nfs/dbraw/zinc/11/45/74/498114574.db2.gz CLKNEJUZIQGVDZ-UHFFFAOYSA-N 0 3 362.373 3.010 20 5 FGBDHN CC(C)(CO)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289366590 498121054 /nfs/dbraw/zinc/12/10/54/498121054.db2.gz AJGNWPRVCGRXNS-GOEBONIOSA-N 0 3 350.440 3.039 20 5 FGBDHN CC1CCN(C[C@H](O)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301541274 498154795 /nfs/dbraw/zinc/15/47/95/498154795.db2.gz NNOSOUNKEDMCHZ-CYBMUJFWSA-N 0 3 361.364 3.118 20 5 FGBDHN C[C@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000301623925 498192348 /nfs/dbraw/zinc/19/23/48/498192348.db2.gz OWZSXWXIGCTGCQ-GXTWGEPZSA-N 0 3 357.439 3.379 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301742148 498246841 /nfs/dbraw/zinc/24/68/41/498246841.db2.gz YMBCTPOWWQKTIV-ZDUSSCGKSA-N 0 3 359.348 3.279 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)C2C[C@@H](c3ccccc3)OC2=O)cc1[N+](=O)[O-] ZINC000289824859 498311501 /nfs/dbraw/zinc/31/15/01/498311501.db2.gz UCBCVTXPTVIABE-XCRHUMRWSA-N 0 3 368.389 3.385 20 5 FGBDHN CN1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000361828855 498436669 /nfs/dbraw/zinc/43/66/69/498436669.db2.gz IVNVQTHFEUWHNQ-GUYCJALGSA-N 0 3 374.466 3.250 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2CCN(c3ccncc3)CC2)c1 ZINC000302201187 498440823 /nfs/dbraw/zinc/44/08/23/498440823.db2.gz VDYQKHACGYQZHU-UHFFFAOYSA-N 0 3 370.409 3.105 20 5 FGBDHN COc1ccc(C[C@@](C)(O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000290229812 498474313 /nfs/dbraw/zinc/47/43/13/498474313.db2.gz ROQAUHZGPXPURA-JLTOFOAXSA-N 0 3 374.437 3.256 20 5 FGBDHN COc1cccc([C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)N(C)C)c1 ZINC000302383167 498474719 /nfs/dbraw/zinc/47/47/19/498474719.db2.gz AENVHHYOVAZADB-GOSISDBHSA-N 0 3 356.426 3.286 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603984 498508755 /nfs/dbraw/zinc/50/87/55/498508755.db2.gz HHSRBHMIRUJPCJ-GXFFZTMASA-N 0 3 359.348 3.026 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)c1ccccc1 ZINC000572826709 506061810 /nfs/dbraw/zinc/06/18/10/506061810.db2.gz JRBRUVYYDZTUSJ-SFHVURJKSA-N 0 3 370.453 3.449 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365739052 498618908 /nfs/dbraw/zinc/61/89/08/498618908.db2.gz HUALFRCZYGEWNH-JKSUJKDBSA-N 0 3 371.462 3.250 20 5 FGBDHN Cc1nn(C)c(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000572876001 506073084 /nfs/dbraw/zinc/07/30/84/506073084.db2.gz LHHYKNHMRMZAHD-INIZCTEOSA-N 0 3 361.446 3.139 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000332671580 498759413 /nfs/dbraw/zinc/75/94/13/498759413.db2.gz ZTFNOZIOWPEVLZ-HNNXBMFYSA-N 0 3 363.483 3.263 20 5 FGBDHN CCc1oc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C(=O)OC ZINC000576266884 506117070 /nfs/dbraw/zinc/11/70/70/506117070.db2.gz NQCVCNFHEZUFSG-UHFFFAOYSA-N 0 3 371.393 3.350 20 5 FGBDHN CN1CCN(CC2(C)CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000366612021 499003109 /nfs/dbraw/zinc/00/31/09/499003109.db2.gz PQIAYMSQDZFVLZ-UHFFFAOYSA-N 0 3 366.893 3.102 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1CN1CCCC1 ZINC000299407286 499050129 /nfs/dbraw/zinc/05/01/29/499050129.db2.gz OLSQGUXLGLORIM-CYBMUJFWSA-N 0 3 352.822 3.340 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000370101235 499180669 /nfs/dbraw/zinc/18/06/69/499180669.db2.gz JWTKDESLKWYZHO-ZBFHGGJFSA-N 0 3 373.457 3.047 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000367471273 499202967 /nfs/dbraw/zinc/20/29/67/499202967.db2.gz OHJOCQLBAQRFGG-QWFCFKBJSA-N 0 3 362.470 3.470 20 5 FGBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cncnc2)cc1 ZINC000370365914 499213700 /nfs/dbraw/zinc/21/37/00/499213700.db2.gz HXBUJJXCGZKAPE-XOBRGWDASA-N 0 3 364.405 3.436 20 5 FGBDHN CC(C)c1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370706728 499246174 /nfs/dbraw/zinc/24/61/74/499246174.db2.gz CJCVAYLPENQUDD-PXNSSMCTSA-N 0 3 374.529 3.176 20 5 FGBDHN O=C1OCCC12CCN(Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000371151077 499293681 /nfs/dbraw/zinc/29/36/81/499293681.db2.gz KMBPDGZLJKBJGA-UHFFFAOYSA-N 0 3 363.413 3.475 20 5 FGBDHN O=C1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C2CC2)N1 ZINC000368499156 499302125 /nfs/dbraw/zinc/30/21/25/499302125.db2.gz NRGSBNMPBWCGBC-LPHOPBHVSA-N 0 3 355.394 3.002 20 5 FGBDHN COc1cc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723815 499359037 /nfs/dbraw/zinc/35/90/37/499359037.db2.gz NWAJNASUXRJJFU-YWZLYKJASA-N 0 3 371.437 3.092 20 5 FGBDHN COc1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723815 499359038 /nfs/dbraw/zinc/35/90/38/499359038.db2.gz NWAJNASUXRJJFU-YWZLYKJASA-N 0 3 371.437 3.092 20 5 FGBDHN COc1cc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723814 499359073 /nfs/dbraw/zinc/35/90/73/499359073.db2.gz NWAJNASUXRJJFU-QRWLVFNGSA-N 0 3 371.437 3.092 20 5 FGBDHN COc1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723814 499359075 /nfs/dbraw/zinc/35/90/75/499359075.db2.gz NWAJNASUXRJJFU-QRWLVFNGSA-N 0 3 371.437 3.092 20 5 FGBDHN CCCN1CCN(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000369158839 499372530 /nfs/dbraw/zinc/37/25/30/499372530.db2.gz ZDRKJCVGOGSLGA-QGZVFWFLSA-N 0 3 360.502 3.148 20 5 FGBDHN CCc1nc(CN2CCC[C@H](N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238165 499381565 /nfs/dbraw/zinc/38/15/65/499381565.db2.gz RIPDHLJJTTWCRC-YOEHRIQHSA-N 0 3 373.457 3.198 20 5 FGBDHN CCc1nc(CN2CCC[C@@H](N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238163 499381718 /nfs/dbraw/zinc/38/17/18/499381718.db2.gz RIPDHLJJTTWCRC-RHSMWYFYSA-N 0 3 373.457 3.198 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369565131 499418591 /nfs/dbraw/zinc/41/85/91/499418591.db2.gz UGVXRSSTDNTANV-BDJLRTHQSA-N 0 3 363.414 3.218 20 5 FGBDHN Cc1cccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567527 499419373 /nfs/dbraw/zinc/41/93/73/499419373.db2.gz HWSHXVVBCGUUSG-CXAGYDPISA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000369571407 499420588 /nfs/dbraw/zinc/42/05/88/499420588.db2.gz WUKCJPDPRZTBQA-GUYCJALGSA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369668616 499434281 /nfs/dbraw/zinc/43/42/81/499434281.db2.gz YFBLRGSNSPRJPH-HNAYVOBHSA-N 0 3 373.478 3.398 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282248 499461479 /nfs/dbraw/zinc/46/14/79/499461479.db2.gz BSQTUVHGYMAMAS-ZDUSSCGKSA-N 0 3 359.386 3.406 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373489374 499472933 /nfs/dbraw/zinc/47/29/33/499472933.db2.gz KUACVAKHXKPOIK-UHFFFAOYSA-N 0 3 357.376 3.490 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@H]2c2nnc(C)o2)CC1 ZINC000373782043 499487744 /nfs/dbraw/zinc/48/77/44/499487744.db2.gz JXVXRJCJAZYTHK-HNNXBMFYSA-N 0 3 358.398 3.065 20 5 FGBDHN O=[N+]([O-])c1ccc(NCC2(O)CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000397498506 499564214 /nfs/dbraw/zinc/56/42/14/499564214.db2.gz DKDCQDOFTFZQPQ-UHFFFAOYSA-N 0 3 359.401 3.173 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398121575 499566521 /nfs/dbraw/zinc/56/65/21/499566521.db2.gz HFOYKSPFXFIFKF-RHSMWYFYSA-N 0 3 357.458 3.442 20 5 FGBDHN CCOc1ccc(C(=O)N2CC[C@H](N)c3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000377080193 499660174 /nfs/dbraw/zinc/66/01/74/499660174.db2.gz TWYVJDCMDWPOIQ-HNNXBMFYSA-N 0 3 371.393 3.052 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2C[C@H]1C ZINC000411318922 499725402 /nfs/dbraw/zinc/72/54/02/499725402.db2.gz ZRTGENUYHRVEIX-CQSZACIVSA-N 0 3 369.421 3.379 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411519543 499750733 /nfs/dbraw/zinc/75/07/33/499750733.db2.gz SLAILUBSCVBAJI-INIZCTEOSA-N 0 3 361.442 3.082 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412347732 499847094 /nfs/dbraw/zinc/84/70/94/499847094.db2.gz PLGGKIZGPWLWHK-HOCLYGCPSA-N 0 3 361.442 3.081 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CCCN2 ZINC000415039164 499857114 /nfs/dbraw/zinc/85/71/14/499857114.db2.gz QLSDSFWNQUIWST-AWEZNQCLSA-N 0 3 368.437 3.460 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)cc2F)cc([N+](=O)[O-])c1C ZINC000412561388 499863415 /nfs/dbraw/zinc/86/34/15/499863415.db2.gz SUCHEWFDVDNYJE-UHFFFAOYSA-N 0 3 361.373 3.365 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC000413306601 499939740 /nfs/dbraw/zinc/93/97/40/499939740.db2.gz WBMQXHTYMYUREA-COPLHBTASA-N 0 3 358.364 3.175 20 5 FGBDHN Cc1nc2ccccc2c(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000413338729 499943020 /nfs/dbraw/zinc/94/30/20/499943020.db2.gz TWKYPVFOTFTYDC-UHFFFAOYSA-N 0 3 363.421 3.481 20 5 FGBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)CN1CCCC1 ZINC000416096949 499948207 /nfs/dbraw/zinc/94/82/07/499948207.db2.gz FAETXKRZKXAFQU-UHFFFAOYSA-N 0 3 371.384 3.143 20 5 FGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413412878 499950494 /nfs/dbraw/zinc/95/04/94/499950494.db2.gz SRMIMHXIFBQXQC-CEXWTWQISA-N 0 3 365.433 3.218 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425066048 500010167 /nfs/dbraw/zinc/01/01/67/500010167.db2.gz NBAQFSMWQBTJLA-XJKSGUPXSA-N 0 3 363.483 3.263 20 5 FGBDHN CCCN1C[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000421355980 500025302 /nfs/dbraw/zinc/02/53/02/500025302.db2.gz VSBTZNDLASAZJD-CQSZACIVSA-N 0 3 357.410 3.203 20 5 FGBDHN Cc1c(C(=O)Nc2ccc(OCCN(C)C)cc2F)cccc1[N+](=O)[O-] ZINC000413928706 500096762 /nfs/dbraw/zinc/09/67/62/500096762.db2.gz ZATIUJGADOZNCH-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000413943647 500102155 /nfs/dbraw/zinc/10/21/55/500102155.db2.gz DBNGLOQYLUHXKY-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425467974 500114587 /nfs/dbraw/zinc/11/45/87/500114587.db2.gz CKDQSLSXCJEHNZ-OLZOCXBDSA-N 0 3 371.231 3.179 20 5 FGBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)CNC2 ZINC000417739429 500160814 /nfs/dbraw/zinc/16/08/14/500160814.db2.gz ZIMXAYKTVBNJPM-UHFFFAOYSA-N 0 3 368.437 3.020 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425620508 500161779 /nfs/dbraw/zinc/16/17/79/500161779.db2.gz IBYACOUVSZXLCH-KRWDZBQOSA-N 0 3 353.422 3.426 20 5 FGBDHN Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000425624259 500162953 /nfs/dbraw/zinc/16/29/53/500162953.db2.gz LZEISMQTPHBLBU-QGZVFWFLSA-N 0 3 353.422 3.426 20 5 FGBDHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1[C@H](C)CC[C@H]1C ZINC000427605681 500410439 /nfs/dbraw/zinc/41/04/39/500410439.db2.gz BYSFCKNLYIDCJE-IJLUTSLNSA-N 0 3 373.375 3.491 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000431870508 500436669 /nfs/dbraw/zinc/43/66/69/500436669.db2.gz IUONNSJQNBZRAT-CABCVRRESA-N 0 3 362.474 3.250 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CSCCN1Cc1ccccc1 ZINC000428545769 500524533 /nfs/dbraw/zinc/52/45/33/500524533.db2.gz VXHNYDBNLOWNQO-SFHVURJKSA-N 0 3 357.479 3.302 20 5 FGBDHN CCc1cc(N2CCN(C)C[C@@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573508335 506205822 /nfs/dbraw/zinc/20/58/22/506205822.db2.gz LXBLCVQPKRTYQE-INIZCTEOSA-N 0 3 355.442 3.145 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(OCC3CC3)nc2)n1 ZINC000447541988 500620912 /nfs/dbraw/zinc/62/09/12/500620912.db2.gz HSYXLYPPOSIFOM-DLBZAZTESA-N 0 3 371.441 3.249 20 5 FGBDHN C[C@@H]1CN(CCCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433134519 500633015 /nfs/dbraw/zinc/63/30/15/500633015.db2.gz QWINABNMRUEDFE-ZRGWGRIASA-N 0 3 361.486 3.406 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433194850 500644141 /nfs/dbraw/zinc/64/41/41/500644141.db2.gz ZHTJCIYQMCEFTK-INIZCTEOSA-N 0 3 368.437 3.121 20 5 FGBDHN CN1CCC[C@@H]1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447681062 500644614 /nfs/dbraw/zinc/64/46/14/500644614.db2.gz VTZILRDKKVYSJQ-MRVPVSSYSA-N 0 3 354.279 3.150 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447810325 500667414 /nfs/dbraw/zinc/66/74/14/500667414.db2.gz IFNSBXPAQNBJSO-KRWDZBQOSA-N 0 3 362.474 3.265 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963227 500697151 /nfs/dbraw/zinc/69/71/51/500697151.db2.gz MUXJROBDEFCOSV-PBHICJAKSA-N 0 3 362.474 3.384 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCCOc3ccccc3)C2)nc1 ZINC000438093770 500736889 /nfs/dbraw/zinc/73/68/89/500736889.db2.gz JJMRGSJZLQBHND-MRXNPFEDSA-N 0 3 356.426 3.335 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000448705244 500809700 /nfs/dbraw/zinc/80/97/00/500809700.db2.gz SHEBKEVRLKNQCY-RYUDHWBXSA-N 0 3 373.375 3.464 20 5 FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434352902 500831012 /nfs/dbraw/zinc/83/10/12/500831012.db2.gz QKNLCODVJAWUGE-GOSISDBHSA-N 0 3 372.469 3.286 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438901434 500833518 /nfs/dbraw/zinc/83/35/18/500833518.db2.gz IJMOMFLUBHUXDE-APWZRJJASA-N 0 3 367.449 3.397 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000438991050 500844658 /nfs/dbraw/zinc/84/46/58/500844658.db2.gz LPGVSHYTFNBFGB-CYBMUJFWSA-N 0 3 357.410 3.455 20 5 FGBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444421793 500846224 /nfs/dbraw/zinc/84/62/24/500846224.db2.gz JCULQJHORAGEMX-UHFFFAOYSA-N 0 3 369.469 3.353 20 5 FGBDHN Cc1ccc([C@]2(C)CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000434746488 500888257 /nfs/dbraw/zinc/88/82/57/500888257.db2.gz JMHUVKTVMPLDRS-HXUWFJFHSA-N 0 3 353.422 3.166 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCOC4(CCSCC4)C3)nc2c1 ZINC000602582398 506223117 /nfs/dbraw/zinc/22/31/17/506223117.db2.gz NVUYYIKWRNPKMU-LBPRGKRZSA-N 0 3 363.439 3.270 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000444916630 500921690 /nfs/dbraw/zinc/92/16/90/500921690.db2.gz ATLNRHBUSMDDPD-UHFFFAOYSA-N 0 3 364.446 3.189 20 5 FGBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093032 500923681 /nfs/dbraw/zinc/92/36/81/500923681.db2.gz UVVYKNNQDVXBTD-KGLIPLIRSA-N 0 3 362.451 3.453 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000449206244 500947486 /nfs/dbraw/zinc/94/74/86/500947486.db2.gz AHZKQRHRFKENFO-YOEHRIQHSA-N 0 3 371.412 3.450 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000449337692 500981243 /nfs/dbraw/zinc/98/12/43/500981243.db2.gz SLMYUBMVLJGDLV-ZFWWWQNUSA-N 0 3 357.385 3.060 20 5 FGBDHN Cc1ccc(C)c(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440484416 501013756 /nfs/dbraw/zinc/01/37/56/501013756.db2.gz HWYCZRAMWGFNNP-INIZCTEOSA-N 0 3 356.426 3.172 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000445812005 501035787 /nfs/dbraw/zinc/03/57/87/501035787.db2.gz VCYJZGPFJIAZRI-UHFFFAOYSA-N 0 3 357.410 3.107 20 5 FGBDHN COc1cc(C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449623740 501044971 /nfs/dbraw/zinc/04/49/71/501044971.db2.gz LYSKENVZTPNQRQ-LRDDRELGSA-N 0 3 364.423 3.380 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000446045085 501066011 /nfs/dbraw/zinc/06/60/11/501066011.db2.gz PVIOKGJUFHLXHR-CYBMUJFWSA-N 0 3 351.834 3.303 20 5 FGBDHN C[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582460892 506232814 /nfs/dbraw/zinc/23/28/14/506232814.db2.gz YDYOQFCTPBAKIU-OAHLLOKOSA-N 0 3 371.437 3.414 20 5 FGBDHN NC(=O)c1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000436137080 501076671 /nfs/dbraw/zinc/07/66/71/501076671.db2.gz XPAZBFFXERVEQK-INIZCTEOSA-N 0 3 353.422 3.148 20 5 FGBDHN Cc1nc(N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347266 501096246 /nfs/dbraw/zinc/09/62/46/501096246.db2.gz OUMNJKOWAUVAED-WMLDXEAASA-N 0 3 355.442 3.183 20 5 FGBDHN O=[N+]([O-])c1ccc2c(ccnc2NCC2CCN(c3ccncc3)CC2)c1 ZINC000450427651 501119550 /nfs/dbraw/zinc/11/95/50/501119550.db2.gz ZGFMSFLZJCTVQA-UHFFFAOYSA-N 0 3 363.421 3.288 20 5 FGBDHN COc1ccc(OCCN2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000441406662 501134346 /nfs/dbraw/zinc/13/43/46/501134346.db2.gz YMZSHVBPTLHROB-OAHLLOKOSA-N 0 3 372.421 3.480 20 5 FGBDHN CC(C)[C@H](O)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596064908 506237815 /nfs/dbraw/zinc/23/78/15/506237815.db2.gz CIPQWOUSEVHLFI-UXHICEINSA-N 0 3 371.437 3.271 20 5 FGBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1cccc(OC)c1 ZINC000450234723 501215636 /nfs/dbraw/zinc/21/56/36/501215636.db2.gz SBVXMMCQJDOPGB-QGZVFWFLSA-N 0 3 359.430 3.197 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451480787 501302758 /nfs/dbraw/zinc/30/27/58/501302758.db2.gz QAGZOJBHQQHGNB-LSDHHAIUSA-N 0 3 367.833 3.124 20 5 FGBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000453418693 501327317 /nfs/dbraw/zinc/32/73/17/501327317.db2.gz CJJAKIDSMPMHGF-DLBZAZTESA-N 0 3 369.465 3.253 20 5 FGBDHN COCC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000451695607 501353016 /nfs/dbraw/zinc/35/30/16/501353016.db2.gz QOTMSSQRPSQPKH-AWEZNQCLSA-N 0 3 372.347 3.178 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000458209302 501393952 /nfs/dbraw/zinc/39/39/52/501393952.db2.gz YDGUCQTXNRWZFG-UHFFFAOYSA-N 0 3 372.450 3.342 20 5 FGBDHN CN(C)CCN(Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662946 506251880 /nfs/dbraw/zinc/25/18/80/506251880.db2.gz OVEUYUVCIOKELL-UHFFFAOYSA-N 0 3 360.439 3.361 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452169990 501450855 /nfs/dbraw/zinc/45/08/55/501450855.db2.gz HLMRGMCGBZCMIE-DOTOQJQBSA-N 0 3 359.470 3.106 20 5 FGBDHN CCC(F)(F)C(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598972917 506254509 /nfs/dbraw/zinc/25/45/09/506254509.db2.gz ZLULWBDCJCDHAN-UHFFFAOYSA-N 0 3 364.414 3.030 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000456317620 501496353 /nfs/dbraw/zinc/49/63/53/501496353.db2.gz ZCXIDNBTSCRBHA-INIZCTEOSA-N 0 3 353.422 3.189 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686755 506262776 /nfs/dbraw/zinc/26/27/76/506262776.db2.gz DAZWBYWZGNAFOO-UHFFFAOYSA-N 0 3 360.439 3.361 20 5 FGBDHN N[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000596107115 506262164 /nfs/dbraw/zinc/26/21/64/506262164.db2.gz QYJLMYYEIRGCAL-HZPDHXFCSA-N 0 3 363.364 3.397 20 5 FGBDHN Cc1cccnc1CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602685110 506263034 /nfs/dbraw/zinc/26/30/34/506263034.db2.gz KVFVJNGDDYTJSG-UHFFFAOYSA-N 0 3 356.245 3.455 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)cn1 ZINC000602692671 506264649 /nfs/dbraw/zinc/26/46/49/506264649.db2.gz ABMCGMZNQGUKBG-IEBWSBKVSA-N 0 3 356.401 3.186 20 5 FGBDHN C[C@@H](CCCc1cccnc1)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459634760 501690329 /nfs/dbraw/zinc/69/03/29/501690329.db2.gz IOYMFJCAMGIKSV-HNAYVOBHSA-N 0 3 368.437 3.096 20 5 FGBDHN C[C@H](CCCc1cccnc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000459636352 501690674 /nfs/dbraw/zinc/69/06/74/501690674.db2.gz HEAKSZGGIAXOMA-CQSZACIVSA-N 0 3 357.410 3.357 20 5 FGBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459765903 501711099 /nfs/dbraw/zinc/71/10/99/501711099.db2.gz PHYHUGKGPCNHIV-NZVBXONLSA-N 0 3 367.833 3.122 20 5 FGBDHN COC(=O)COc1ccc(CNC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000474359586 501805008 /nfs/dbraw/zinc/80/50/08/501805008.db2.gz ZCRAZIAKPYLGSA-UHFFFAOYSA-N 0 3 358.394 3.172 20 5 FGBDHN C[C@H](CN1CCN(c2ccccc2)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467866317 501894196 /nfs/dbraw/zinc/89/41/96/501894196.db2.gz SYNNVLSHRUAFIX-MSOLQXFVSA-N 0 3 368.481 3.456 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471142105 501933738 /nfs/dbraw/zinc/93/37/38/501933738.db2.gz JROGKFFRQMLYBE-KUHUBIRLSA-N 0 3 371.437 3.415 20 5 FGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464346123 501961528 /nfs/dbraw/zinc/96/15/28/501961528.db2.gz HMLUIMYSGDTZGT-OAHLLOKOSA-N 0 3 357.410 3.335 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000460933977 501961885 /nfs/dbraw/zinc/96/18/85/501961885.db2.gz LKSZITQIJXSPEY-FQEVSTJZSA-N 0 3 367.449 3.399 20 5 FGBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Br)c1 ZINC000478404314 501969344 /nfs/dbraw/zinc/96/93/44/501969344.db2.gz HILBGJXZPMJNQE-UHFFFAOYSA-N 0 3 353.220 3.076 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156705 506285443 /nfs/dbraw/zinc/28/54/43/506285443.db2.gz WDKPZOHSMQHULZ-KDOFPFPSSA-N 0 3 368.437 3.016 20 5 FGBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)cc1 ZINC000478433599 501981150 /nfs/dbraw/zinc/98/11/50/501981150.db2.gz LSDUQPLEVFQBGJ-UHFFFAOYSA-N 0 3 367.247 3.464 20 5 FGBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000486009075 502016824 /nfs/dbraw/zinc/01/68/24/502016824.db2.gz RYGUKQYAXPBZMK-LBPRGKRZSA-N 0 3 373.375 3.303 20 5 FGBDHN CN1C[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881341 506289370 /nfs/dbraw/zinc/28/93/70/506289370.db2.gz MREPSXMHFQRDII-PBHICJAKSA-N 0 3 373.840 3.323 20 5 FGBDHN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000478671895 502052464 /nfs/dbraw/zinc/05/24/64/502052464.db2.gz URITXTKCPZBOOJ-HZPDHXFCSA-N 0 3 362.474 3.166 20 5 FGBDHN C[C@@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464219 502065791 /nfs/dbraw/zinc/06/57/91/502065791.db2.gz WWLMCCYWGDJSPM-MLGOLLRUSA-N 0 3 351.422 3.074 20 5 FGBDHN CCNc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471579052 502072220 /nfs/dbraw/zinc/07/22/20/502072220.db2.gz UCVGRXIIWRTGEB-IFXJQAMLSA-N 0 3 370.453 3.448 20 5 FGBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN1C ZINC000475193001 502094325 /nfs/dbraw/zinc/09/43/25/502094325.db2.gz NPUANMYCMDTWOY-BXKDBHETSA-N 0 3 360.336 3.218 20 5 FGBDHN Cc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461963258 502255376 /nfs/dbraw/zinc/25/53/76/502255376.db2.gz HOVFSDSASQMNAO-FQEVSTJZSA-N 0 3 373.428 3.116 20 5 FGBDHN CN(C)C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000465595922 502319708 /nfs/dbraw/zinc/31/97/08/502319708.db2.gz IAJAQRJQZHYSBU-KRWDZBQOSA-N 0 3 353.422 3.356 20 5 FGBDHN CCCOc1ccc(C(C)(C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000483272056 502335036 /nfs/dbraw/zinc/33/50/36/502335036.db2.gz PIPZXQFGLACKNA-UHFFFAOYSA-N 0 3 359.426 3.070 20 5 FGBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000588687594 506309856 /nfs/dbraw/zinc/30/98/56/506309856.db2.gz MUIIMYTWHXHXON-HXUWFJFHSA-N 0 3 373.456 3.043 20 5 FGBDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599074830 506311712 /nfs/dbraw/zinc/31/17/12/506311712.db2.gz QMRGKOCGRDJWDD-OALUTQOASA-N 0 3 351.406 3.389 20 5 FGBDHN CN(C)CCN(Cc1ccccn1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473518250 502620636 /nfs/dbraw/zinc/62/06/36/502620636.db2.gz DJKSGTUEVQPVFW-UHFFFAOYSA-N 0 3 351.410 3.106 20 5 FGBDHN CS[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000473532154 502626251 /nfs/dbraw/zinc/62/62/51/502626251.db2.gz MKPJWALBFHMGAT-IRXDYDNUSA-N 0 3 358.467 3.159 20 5 FGBDHN CNc1c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936679 502632413 /nfs/dbraw/zinc/63/24/13/502632413.db2.gz SBKZZSSVBHJDMK-ZBFHGGJFSA-N 0 3 368.437 3.202 20 5 FGBDHN CN(C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470153094 502681357 /nfs/dbraw/zinc/68/13/57/502681357.db2.gz WQMDHVVQZWBUSO-QGZVFWFLSA-N 0 3 360.389 3.028 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000470179190 502697445 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Cc1ccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000748820420 722705862 /nfs/dbraw/zinc/70/58/62/722705862.db2.gz ZNBJXPBUVJZUQH-ZDUSSCGKSA-N 0 3 363.439 3.126 20 5 FGBDHN COCC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000755929114 722958668 /nfs/dbraw/zinc/95/86/68/722958668.db2.gz AQKBWOULMNUUGU-LBPRGKRZSA-N 0 3 361.364 3.161 20 5 FGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000762582174 723257843 /nfs/dbraw/zinc/25/78/43/723257843.db2.gz MZYMQMKINJLQDQ-ZDUSSCGKSA-N 0 3 351.422 3.002 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000764941837 723462055 /nfs/dbraw/zinc/46/20/55/723462055.db2.gz OWAXYLWQUGMFLB-LBPRGKRZSA-N 0 3 367.833 3.464 20 5 FGBDHN C[C@@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788664740 725079536 /nfs/dbraw/zinc/07/95/36/725079536.db2.gz KIUWUDUIXDBKCW-PSLIRLAXSA-N 0 3 353.781 3.354 20 5 FGBDHN CC(COC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1)[N+](=O)[O-] ZINC000813104467 726839406 /nfs/dbraw/zinc/83/94/06/726839406.db2.gz MYQAHGIRPXFTRV-ABAIWWIYSA-N 0 3 358.797 3.215 20 5 FGBDHN CC(C)(C)N1CC[C@](F)(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000817038760 727215314 /nfs/dbraw/zinc/21/53/14/727215314.db2.gz GQISXYFRDWZZLE-GOSISDBHSA-N 0 3 351.422 3.159 20 5 FGBDHN Cc1ccc(OC(F)F)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819148924 727352655 /nfs/dbraw/zinc/35/26/55/727352655.db2.gz FKPOTMMTHAONER-HNNXBMFYSA-N 0 3 352.337 3.328 20 5 FGBDHN O=[N+]([O-])c1cccc(Br)c1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846504 729361865 /nfs/dbraw/zinc/36/18/65/729361865.db2.gz SXLCXJLBACGSKA-CJNGLKHVSA-N 0 3 369.259 3.244 20 5 FGBDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000830529517 729569325 /nfs/dbraw/zinc/56/93/25/729569325.db2.gz KLQIYYYXSGYHIV-ZDUSSCGKSA-N 0 3 351.834 3.303 20 5 FGBDHN O=C(Nc1cc([N+](=O)[O-])ccc1F)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000844299600 730699999 /nfs/dbraw/zinc/69/99/99/730699999.db2.gz TVRNEXAVVOZBFQ-VHSXEESVSA-N 0 3 350.268 3.420 20 5 FGBDHN Cc1noc(C)c1CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873135 730904908 /nfs/dbraw/zinc/90/49/08/730904908.db2.gz RXKJAOXLRWVSNF-APPDUMDISA-N 0 3 350.346 3.313 20 5 FGBDHN CC(=O)c1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881008 730905823 /nfs/dbraw/zinc/90/58/23/730905823.db2.gz JVHPRGZZCKEOKE-AMIZOPFISA-N 0 3 352.343 3.048 20 5 FGBDHN CC([C@H](OC(=O)CCC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845882618 730906114 /nfs/dbraw/zinc/90/61/14/730906114.db2.gz OZZVZHQXPAZGGB-ZBEGNZNMSA-N 0 3 355.362 3.197 20 5 FGBDHN CC([C@H](OC(=O)c1scc2c1OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737795 731085848 /nfs/dbraw/zinc/08/58/48/731085848.db2.gz VZPVLFPKJXEICB-ZANVPECISA-N 0 3 367.354 3.222 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850579932 731375921 /nfs/dbraw/zinc/37/59/21/731375921.db2.gz CXTROGGBZVKBLB-ZBFHGGJFSA-N 0 3 352.312 3.323 20 5 FGBDHN Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302144086 257385554 /nfs/dbraw/zinc/38/55/54/257385554.db2.gz GFTMZAUPNKHFPH-HXUWFJFHSA-N 0 3 371.485 3.135 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000573590354 505573598 /nfs/dbraw/zinc/57/35/98/505573598.db2.gz MEZUIDWCWOVPMI-UWJYYQICSA-N 0 3 370.449 3.445 20 5 FGBDHN CC[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000543453937 503777049 /nfs/dbraw/zinc/77/70/49/503777049.db2.gz ALDPHXQVBRGJQH-LBPRGKRZSA-N 0 3 362.411 3.090 20 5 FGBDHN CCN1C[C@@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000573961788 505660939 /nfs/dbraw/zinc/66/09/39/505660939.db2.gz UGRCRNRUBAUFFZ-VXGBXAGGSA-N 0 3 373.400 3.119 20 5 FGBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)cc1 ZINC000058492320 493859533 /nfs/dbraw/zinc/85/95/33/493859533.db2.gz SSOYGALHZRPJRM-UHFFFAOYSA-N 0 3 368.393 3.269 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000076387624 493880956 /nfs/dbraw/zinc/88/09/56/493880956.db2.gz OURNPMOZQWMSIP-MRXNPFEDSA-N 0 3 353.422 3.331 20 5 FGBDHN CC1CCN(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000050579079 493922297 /nfs/dbraw/zinc/92/22/97/493922297.db2.gz SKYRRTADMCMBLN-UHFFFAOYSA-N 0 3 374.466 3.180 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000060369964 493927739 /nfs/dbraw/zinc/92/77/39/493927739.db2.gz AEDPTIQFPGTHJY-KRWDZBQOSA-N 0 3 368.437 3.418 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Nc2ccccc2)C1 ZINC000060369958 493928130 /nfs/dbraw/zinc/92/81/30/493928130.db2.gz XDVHJPLCPTZKER-KRWDZBQOSA-N 0 3 368.437 3.418 20 5 FGBDHN Cc1ccccc1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051449396 493970608 /nfs/dbraw/zinc/97/06/08/493970608.db2.gz GQUBLHRNGYBQQI-FXAWDEMLSA-N 0 3 356.422 3.480 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000032735453 494010384 /nfs/dbraw/zinc/01/03/84/494010384.db2.gz NRJVNOUWWUBYOG-IBGZPJMESA-N 0 3 355.438 3.119 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCN(c2ccncc2)CC1 ZINC000007365441 494017367 /nfs/dbraw/zinc/01/73/67/494017367.db2.gz YPQFZUDPSCGQHU-UHFFFAOYSA-N 0 3 363.215 3.079 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2CNCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000069833329 494021100 /nfs/dbraw/zinc/02/11/00/494021100.db2.gz SZWPOYKJMDZFKX-IRXDYDNUSA-N 0 3 369.465 3.494 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccccc2CN(C)C)c1 ZINC000063653796 494074825 /nfs/dbraw/zinc/07/48/25/494074825.db2.gz QYPYKWDAHIBFBZ-UHFFFAOYSA-N 0 3 371.437 3.050 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000041888274 494185623 /nfs/dbraw/zinc/18/56/23/494185623.db2.gz KWQSKYAFPOTRLA-UHFFFAOYSA-N 0 3 361.373 3.203 20 5 FGBDHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054205546 494206472 /nfs/dbraw/zinc/20/64/72/494206472.db2.gz UTOXISGOWFRMCE-KRWDZBQOSA-N 0 3 368.437 3.457 20 5 FGBDHN CC(C)(C)CCN1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000054838778 494276746 /nfs/dbraw/zinc/27/67/46/494276746.db2.gz TXNDHDKBSYZNQQ-UHFFFAOYSA-N 0 3 374.485 3.045 20 5 FGBDHN CC(C)NC(=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078893059 494376892 /nfs/dbraw/zinc/37/68/92/494376892.db2.gz DKVKZDGTPKMJTF-UHFFFAOYSA-N 0 3 370.453 3.367 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066726874 494396934 /nfs/dbraw/zinc/39/69/34/494396934.db2.gz REQHZNATAJNKDJ-UHFFFAOYSA-N 0 3 355.438 3.248 20 5 FGBDHN COc1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089952206 494411567 /nfs/dbraw/zinc/41/15/67/494411567.db2.gz XLNWYPNNKYDUHP-HUUCEWRRSA-N 0 3 352.456 3.090 20 5 FGBDHN COc1cc(CN(CCOc2cccc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000089974634 494418755 /nfs/dbraw/zinc/41/87/55/494418755.db2.gz YMRPCXZBXYJLKH-UHFFFAOYSA-N 0 3 358.394 3.352 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000056168300 494464860 /nfs/dbraw/zinc/46/48/60/494464860.db2.gz ZOVUBXVYRDMGOF-QAPCUYQASA-N 0 3 353.422 3.089 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCCCC2)C1=O ZINC000090463869 494470112 /nfs/dbraw/zinc/47/01/12/494470112.db2.gz LVSRCEZAOJMBOP-QAPCUYQASA-N 0 3 359.470 3.439 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000079556641 494480631 /nfs/dbraw/zinc/48/06/31/494480631.db2.gz CNOLDLPMMXXUPE-QAPCUYQASA-N 0 3 353.422 3.378 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079670123 494504469 /nfs/dbraw/zinc/50/44/69/494504469.db2.gz CPSCHFHGYJUPGN-GOSISDBHSA-N 0 3 368.437 3.059 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000079709757 494512383 /nfs/dbraw/zinc/51/23/83/494512383.db2.gz YOQULUGMWGFSIO-LPHOPBHVSA-N 0 3 367.449 3.307 20 5 FGBDHN O=C(Nc1ccccc1O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121257019 494668927 /nfs/dbraw/zinc/66/89/27/494668927.db2.gz NWJNKCUJOSRLEW-UHFFFAOYSA-N 0 3 369.421 3.194 20 5 FGBDHN C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000057201661 494677502 /nfs/dbraw/zinc/67/75/02/494677502.db2.gz JRERKYYFWDPLOH-MAUKXSAKSA-N 0 3 370.453 3.128 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(CC2CCCCC2)CC1 ZINC000131654427 494687826 /nfs/dbraw/zinc/68/78/26/494687826.db2.gz PDNZOATVBUODRI-UHFFFAOYSA-N 0 3 363.433 3.462 20 5 FGBDHN CCc1nn(C)c(N(C)CCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000092696301 494713394 /nfs/dbraw/zinc/71/33/94/494713394.db2.gz LVKIMRUCHDYYEC-UHFFFAOYSA-N 0 3 372.473 3.029 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000092696023 494714034 /nfs/dbraw/zinc/71/40/34/494714034.db2.gz GPFJQKWNZXUGGQ-UHFFFAOYSA-N 0 3 355.442 3.436 20 5 FGBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132469 494772319 /nfs/dbraw/zinc/77/23/19/494772319.db2.gz SKPHVDYSRMVKKW-OAHLLOKOSA-N 0 3 356.426 3.167 20 5 FGBDHN Cn1cc(CN2CCC[C@H](c3ncc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071426 494778243 /nfs/dbraw/zinc/77/82/43/494778243.db2.gz ZRCPRZKWDRTKLQ-HNNXBMFYSA-N 0 3 366.425 3.098 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000027412811 494866816 /nfs/dbraw/zinc/86/68/16/494866816.db2.gz YAIRCJZPTHTZDW-AWEZNQCLSA-N 0 3 365.499 3.456 20 5 FGBDHN CCN(CC)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CC(C)C ZINC000121825742 494868632 /nfs/dbraw/zinc/86/86/32/494868632.db2.gz XMPQPSQIONPYKA-AWEZNQCLSA-N 0 3 371.503 3.167 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000027582769 494875581 /nfs/dbraw/zinc/87/55/81/494875581.db2.gz FKHSWKLUXIQMFQ-OAHLLOKOSA-N 0 3 361.829 3.151 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1cccc(O)c1 ZINC000109783135 494918299 /nfs/dbraw/zinc/91/82/99/494918299.db2.gz SWCOEOCLPQZMHW-CYBMUJFWSA-N 0 3 373.409 3.331 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110966935 495026288 /nfs/dbraw/zinc/02/62/88/495026288.db2.gz AETPXKBYHMNHFC-ZDUSSCGKSA-N 0 3 361.829 3.499 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133643225 495040741 /nfs/dbraw/zinc/04/07/41/495040741.db2.gz QKPRDQCJNXIBIU-KGLIPLIRSA-N 0 3 371.359 3.312 20 5 FGBDHN CN(C(=O)CN[C@H]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000133751538 495056770 /nfs/dbraw/zinc/05/67/70/495056770.db2.gz XEIQWHJMKDIGKX-OALUTQOASA-N 0 3 353.422 3.484 20 5 FGBDHN COc1ccc(CNCC(C)(C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000111385974 495070934 /nfs/dbraw/zinc/07/09/34/495070934.db2.gz TWSFNXDPEPACCL-UHFFFAOYSA-N 0 3 360.410 3.043 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119887684 495263351 /nfs/dbraw/zinc/26/33/51/495263351.db2.gz OVVHWWBJAPXSRU-ACJLOTCBSA-N 0 3 373.840 3.499 20 5 FGBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000129750995 495290619 /nfs/dbraw/zinc/29/06/19/495290619.db2.gz MBDRFMGYEJVJKI-KSSFIOAISA-N 0 3 353.422 3.319 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C3CCOCC3)CC2)o1 ZINC000129758624 495291395 /nfs/dbraw/zinc/29/13/95/495291395.db2.gz XRZMNWYGLVZKLN-UHFFFAOYSA-N 0 3 371.437 3.151 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H]3CCc4n[nH]cc4C3)o2)c([N+](=O)[O-])c1 ZINC000124532823 495303040 /nfs/dbraw/zinc/30/30/40/495303040.db2.gz SNBIBFGQTJVVLI-ZDUSSCGKSA-N 0 3 368.393 3.234 20 5 FGBDHN Cc1c(NC(=O)CCN(Cc2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124718995 495332779 /nfs/dbraw/zinc/33/27/79/495332779.db2.gz OIRLGKYVYRVQPH-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000130109172 495343068 /nfs/dbraw/zinc/34/30/68/495343068.db2.gz HWWXVSIMPCNHKK-HNAYVOBHSA-N 0 3 373.478 3.398 20 5 FGBDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000120654594 495427911 /nfs/dbraw/zinc/42/79/11/495427911.db2.gz MBQSLQIYAHYJBB-GOSISDBHSA-N 0 3 374.437 3.254 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccncc1 ZINC000125577862 495465416 /nfs/dbraw/zinc/46/54/16/495465416.db2.gz UNQMPXPHPVOPGR-SFHVURJKSA-N 0 3 354.410 3.464 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000140190253 495491151 /nfs/dbraw/zinc/49/11/51/495491151.db2.gz JNWDDKHGYSIKCV-HNNXBMFYSA-N 0 3 373.478 3.227 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000182424329 495559530 /nfs/dbraw/zinc/55/95/30/495559530.db2.gz KAFQKSAZEBUKDF-LJQANCHMSA-N 0 3 370.449 3.432 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000158703781 495572044 /nfs/dbraw/zinc/57/20/44/495572044.db2.gz JFAMTRPNLGTGLA-XLIONFOSSA-N 0 3 369.465 3.455 20 5 FGBDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000179672695 495685542 /nfs/dbraw/zinc/68/55/42/495685542.db2.gz CDWUMNBAWCFKJQ-CRAIPNDOSA-N 0 3 374.437 3.473 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000154667255 495689030 /nfs/dbraw/zinc/68/90/30/495689030.db2.gz GCQVTGXBHIRJNE-YZGWKJHDSA-N 0 3 374.412 3.355 20 5 FGBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCc1nccs1 ZINC000159256498 495695403 /nfs/dbraw/zinc/69/54/03/495695403.db2.gz OMZJJMPEQIERKU-UHFFFAOYSA-N 0 3 362.455 3.253 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@]3(O)CCSC3)o2)c(Cl)c1 ZINC000176751595 495773268 /nfs/dbraw/zinc/77/32/68/495773268.db2.gz GGSMCKGGJSGDSJ-MRXNPFEDSA-N 0 3 368.842 3.466 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1CC ZINC000154963965 495786752 /nfs/dbraw/zinc/78/67/52/495786752.db2.gz CWUGOXQADKGHCD-AWEZNQCLSA-N 0 3 351.472 3.311 20 5 FGBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000174143944 495836770 /nfs/dbraw/zinc/83/67/70/495836770.db2.gz RLGLFLNCNYWJMG-UHFFFAOYSA-N 0 3 359.426 3.263 20 5 FGBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186295435 495932585 /nfs/dbraw/zinc/93/25/85/495932585.db2.gz IKVJHUUCUGEFBH-IBGZPJMESA-N 0 3 353.422 3.331 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2ccccc2C1 ZINC000171592822 495941155 /nfs/dbraw/zinc/94/11/55/495941155.db2.gz MPGXAYYDDCPVIA-UHFFFAOYSA-N 0 3 369.421 3.380 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000183392956 495962385 /nfs/dbraw/zinc/96/23/85/495962385.db2.gz FPNCWRYSAVCRBQ-GOSISDBHSA-N 0 3 369.421 3.153 20 5 FGBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160747997 496034380 /nfs/dbraw/zinc/03/43/80/496034380.db2.gz VVAWTRQUNNGQMJ-UHFFFAOYSA-N 0 3 360.380 3.053 20 5 FGBDHN C[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000180589205 496057450 /nfs/dbraw/zinc/05/74/50/496057450.db2.gz JQFJEWANHQXWOS-UWJYYQICSA-N 0 3 369.465 3.242 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccsc1 ZINC000180652902 496089082 /nfs/dbraw/zinc/08/90/82/496089082.db2.gz GHTPNPDIYNDTIS-HNNXBMFYSA-N 0 3 362.455 3.051 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180788018 496146796 /nfs/dbraw/zinc/14/67/96/496146796.db2.gz JRWNBPGEISLXOY-AWEZNQCLSA-N 0 3 368.437 3.132 20 5 FGBDHN Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935647 496207493 /nfs/dbraw/zinc/20/74/93/496207493.db2.gz DECQTDWUFXEOOA-YJBOKZPZSA-N 0 3 368.437 3.273 20 5 FGBDHN CCOc1ccc([C@H](C)NCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000152763964 496250130 /nfs/dbraw/zinc/25/01/30/496250130.db2.gz ISDKQXIAGTTWMP-AWEZNQCLSA-N 0 3 373.457 3.205 20 5 FGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181432289 496391911 /nfs/dbraw/zinc/39/19/11/496391911.db2.gz SMZZZPCAYGKTRB-OAHLLOKOSA-N 0 3 369.421 3.451 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000181558191 496444973 /nfs/dbraw/zinc/44/49/73/496444973.db2.gz UDGVFNMVAIJQRV-SFHVURJKSA-N 0 3 369.421 3.153 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184661986 496483279 /nfs/dbraw/zinc/48/32/79/496483279.db2.gz PNNBYKPZRQLAEG-ZDUSSCGKSA-N 0 3 351.422 3.170 20 5 FGBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2cc(N)ccc2F)cc1[N+](=O)[O-] ZINC000181815452 496557099 /nfs/dbraw/zinc/55/70/99/496557099.db2.gz IEBOTMKSXORCQA-LBPRGKRZSA-N 0 3 360.389 3.304 20 5 FGBDHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1Cl ZINC000574772108 505852623 /nfs/dbraw/zinc/85/26/23/505852623.db2.gz ZAFDQLCGLCCAMG-INIZCTEOSA-N 0 3 359.813 3.255 20 5 FGBDHN CC1(C)[C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000153914199 496622876 /nfs/dbraw/zinc/62/28/76/496622876.db2.gz RZWNUIHXDIEZSA-HONMWMINSA-N 0 3 355.232 3.260 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000173341063 496650525 /nfs/dbraw/zinc/65/05/25/496650525.db2.gz AKWZPZGWXKMELW-INIZCTEOSA-N 0 3 373.478 3.227 20 5 FGBDHN CN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158408969 496695670 /nfs/dbraw/zinc/69/56/70/496695670.db2.gz CSNWHOUJWCJABW-KRWDZBQOSA-N 0 3 353.422 3.470 20 5 FGBDHN COc1ccc([C@H](C)N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182203502 496706653 /nfs/dbraw/zinc/70/66/53/496706653.db2.gz SVNPNJKWJYHBQQ-HOCLYGCPSA-N 0 3 360.410 3.036 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000182216382 496710758 /nfs/dbraw/zinc/71/07/58/496710758.db2.gz HFPRJNFLHBNOQX-KRWDZBQOSA-N 0 3 360.385 3.138 20 5 FGBDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493847 496782221 /nfs/dbraw/zinc/78/22/21/496782221.db2.gz QKNLYHOKIZDIPK-OAHLLOKOSA-N 0 3 373.457 3.093 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000569161900 505865560 /nfs/dbraw/zinc/86/55/60/505865560.db2.gz MMGVYTOGFBLIFY-SWLSCSKDSA-N 0 3 361.398 3.056 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2O[C@@H]1C ZINC000580919263 505867280 /nfs/dbraw/zinc/86/72/80/505867280.db2.gz PHBIVPIUJGTIEX-VLXJIEOASA-N 0 3 355.394 3.424 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000277558047 496811533 /nfs/dbraw/zinc/81/15/33/496811533.db2.gz JNIURQFFMDLEJU-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN O=C(CCN1CCC(c2ccncc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000191665089 496848853 /nfs/dbraw/zinc/84/88/53/496848853.db2.gz QKRRBTVAKAJAQW-UHFFFAOYSA-N 0 3 354.410 3.198 20 5 FGBDHN COc1cnccc1[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188781466 496907531 /nfs/dbraw/zinc/90/75/31/496907531.db2.gz SYBQISRTBJOKFE-OLZOCXBDSA-N 0 3 358.398 3.066 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2cccnc2)C1 ZINC000580950068 505875334 /nfs/dbraw/zinc/87/53/34/505875334.db2.gz GRPWPPGUQVEFOX-MRXNPFEDSA-N 0 3 354.410 3.116 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192137032 497007599 /nfs/dbraw/zinc/00/75/99/497007599.db2.gz BOGCCFJZRISZDP-CRAIPNDOSA-N 0 3 364.348 3.372 20 5 FGBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264956996 497019417 /nfs/dbraw/zinc/01/94/17/497019417.db2.gz MLDPZTGWKKARCL-UHFFFAOYSA-N 0 3 353.422 3.331 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000248796367 497105307 /nfs/dbraw/zinc/10/53/07/497105307.db2.gz JFHKITPBCGUCKR-XJKSGUPXSA-N 0 3 373.840 3.499 20 5 FGBDHN O=C(CN[C@@H](c1ccccc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192512020 497135964 /nfs/dbraw/zinc/13/59/64/497135964.db2.gz XWARKHOHTUOLRZ-FQEVSTJZSA-N 0 3 351.406 3.225 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000274670439 497141937 /nfs/dbraw/zinc/14/19/37/497141937.db2.gz XREJZPHBSJXQKO-SCLBCKFNSA-N 0 3 357.410 3.025 20 5 FGBDHN CC(C)c1ccc([C@H](N)CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000236763407 497142504 /nfs/dbraw/zinc/14/25/04/497142504.db2.gz ASIQMIKYOYYNIG-LJQANCHMSA-N 0 3 355.438 3.467 20 5 FGBDHN Cc1ccnc([C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581020769 505892256 /nfs/dbraw/zinc/89/22/56/505892256.db2.gz NGGAPEQOKFNJLM-HNNXBMFYSA-N 0 3 354.410 3.116 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000237413120 497233632 /nfs/dbraw/zinc/23/36/32/497233632.db2.gz OBKVFVANFJWBFG-IAGOWNOFSA-N 0 3 369.465 3.494 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252179899 497297773 /nfs/dbraw/zinc/29/77/73/497297773.db2.gz PUTHMZOSCQWHPT-LSDHHAIUSA-N 0 3 362.474 3.265 20 5 FGBDHN NC(=O)CCC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000271278208 497310172 /nfs/dbraw/zinc/31/01/72/497310172.db2.gz YXSUCIXYRMCVEM-UHFFFAOYSA-N 0 3 364.445 3.424 20 5 FGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000253548030 497339079 /nfs/dbraw/zinc/33/90/79/497339079.db2.gz BCYBAOHFRVACDV-FMKPAKJESA-N 0 3 363.483 3.161 20 5 FGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000253548031 497339407 /nfs/dbraw/zinc/33/94/07/497339407.db2.gz BCYBAOHFRVACDV-LZWOXQAQSA-N 0 3 363.483 3.161 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000578271126 505901730 /nfs/dbraw/zinc/90/17/30/505901730.db2.gz FHCPNPAJHIVRJX-HNNXBMFYSA-N 0 3 373.428 3.428 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000275646543 497392587 /nfs/dbraw/zinc/39/25/87/497392587.db2.gz MIIBJUIXPWMLRI-UHFFFAOYSA-N 0 3 356.426 3.063 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193766464 497475047 /nfs/dbraw/zinc/47/50/47/497475047.db2.gz LSMZOUXFPMNEPD-KRWDZBQOSA-N 0 3 353.422 3.155 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(C)n(C)c1=O ZINC000279614472 497486571 /nfs/dbraw/zinc/48/65/71/497486571.db2.gz XRXVUKBYFIJLAG-HNNXBMFYSA-N 0 3 361.467 3.262 20 5 FGBDHN COc1cc(CNC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272672339 497697263 /nfs/dbraw/zinc/69/72/63/497697263.db2.gz UBUDIEZSRYAEBD-VXGBXAGGSA-N 0 3 374.384 3.152 20 5 FGBDHN COc1cc(CNCC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272785253 497729846 /nfs/dbraw/zinc/72/98/46/497729846.db2.gz GOGHVPGOYBCNGR-CYBMUJFWSA-N 0 3 374.384 3.296 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000572317209 505939499 /nfs/dbraw/zinc/93/94/99/505939499.db2.gz RILZTTOGLSWJDC-KRWDZBQOSA-N 0 3 357.458 3.220 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364455439 497966491 /nfs/dbraw/zinc/96/64/91/497966491.db2.gz OLWFVALLDMCVJO-BIENJYKASA-N 0 3 369.421 3.122 20 5 FGBDHN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000285461515 498093626 /nfs/dbraw/zinc/09/36/26/498093626.db2.gz NAXCNZRWPHLJEB-IAGOWNOFSA-N 0 3 360.410 3.386 20 5 FGBDHN C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000289488366 498165093 /nfs/dbraw/zinc/16/50/93/498165093.db2.gz RHHOSSGDXDSJSF-XGWLTEMNSA-N 0 3 354.362 3.076 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289521919 498177714 /nfs/dbraw/zinc/17/77/14/498177714.db2.gz CHVKCOYTZJFOAC-NEPJUHHUSA-N 0 3 352.822 3.339 20 5 FGBDHN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000301703332 498232441 /nfs/dbraw/zinc/23/24/41/498232441.db2.gz UNMIAADZSPDFQQ-MNOVXSKESA-N 0 3 357.252 3.285 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000360063641 498242811 /nfs/dbraw/zinc/24/28/11/498242811.db2.gz ZVEZVRVDLBVMNC-KXBFYZLASA-N 0 3 358.394 3.283 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)cnc1NCC1(N2CCCCC2)CCOCC1 ZINC000301747802 498250213 /nfs/dbraw/zinc/25/02/13/498250213.db2.gz RJQLGHMAWGICQP-UHFFFAOYSA-N 0 3 354.838 3.090 20 5 FGBDHN CCOc1cc(CN(C)C2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000365189131 498342164 /nfs/dbraw/zinc/34/21/64/498342164.db2.gz JUEMJDKXICEXIU-UHFFFAOYSA-N 0 3 370.453 3.489 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157587 498405174 /nfs/dbraw/zinc/40/51/74/498405174.db2.gz TZACIOLMKYCFEW-APWZRJJASA-N 0 3 370.453 3.041 20 5 FGBDHN Cc1cc(N2CCC(N3CCO[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138752 498414531 /nfs/dbraw/zinc/41/45/31/498414531.db2.gz DXJQSBRFPDWMHK-HNNXBMFYSA-N 0 3 370.453 3.141 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282266286 498444762 /nfs/dbraw/zinc/44/47/62/498444762.db2.gz AEPGVSRDALDERZ-UHFFFAOYSA-N 0 3 370.453 3.041 20 5 FGBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302241349 498456804 /nfs/dbraw/zinc/45/68/04/498456804.db2.gz IITGVALMDSDDSY-LBPRGKRZSA-N 0 3 360.380 3.052 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297554167 498492022 /nfs/dbraw/zinc/49/20/22/498492022.db2.gz CJCIXZNTRHUEAY-YPMHNXCESA-N 0 3 371.359 3.312 20 5 FGBDHN Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000302686932 498533242 /nfs/dbraw/zinc/53/32/42/498533242.db2.gz APCMCLATJMNNMB-KRWDZBQOSA-N 0 3 356.426 3.001 20 5 FGBDHN C[S@@](=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000282514439 498540841 /nfs/dbraw/zinc/54/08/41/498540841.db2.gz XTHRRRDLCNVHGR-HSZRJFAPSA-N 0 3 350.465 3.324 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332254622 498620793 /nfs/dbraw/zinc/62/07/93/498620793.db2.gz DEGPFFIMJQJWJQ-ZBFHGGJFSA-N 0 3 363.483 3.162 20 5 FGBDHN CN(C)c1ccccc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000581848363 506073296 /nfs/dbraw/zinc/07/32/96/506073296.db2.gz VMVWABSAMCBBPN-UHFFFAOYSA-N 0 3 356.426 3.121 20 5 FGBDHN Cc1cccc(-c2n[nH]cc2CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365951544 498708881 /nfs/dbraw/zinc/70/88/81/498708881.db2.gz RVTQRKSQSBTVRM-UHFFFAOYSA-N 0 3 366.425 3.327 20 5 FGBDHN CC(C)(CCc1noc(C2CCN(Cc3ccccc3)CC2)n1)[N+](=O)[O-] ZINC000291080507 498786292 /nfs/dbraw/zinc/78/62/92/498786292.db2.gz NLQQNSPJQDFXDI-UHFFFAOYSA-N 0 3 358.442 3.437 20 5 FGBDHN CC(=O)c1ccc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000363589795 498892154 /nfs/dbraw/zinc/89/21/54/498892154.db2.gz VNEPQNKKTXZEKU-RRQGHBQHSA-N 0 3 361.442 3.099 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(c2ccccn2)CC1 ZINC000366636910 499013537 /nfs/dbraw/zinc/01/35/37/499013537.db2.gz LLTYVCOLDDGKJK-UHFFFAOYSA-N 0 3 356.426 3.099 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000291960152 499111555 /nfs/dbraw/zinc/11/15/55/499111555.db2.gz WKXJWQQKKQHQTC-WBVHZDCISA-N 0 3 353.422 3.296 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1F ZINC000367198951 499160286 /nfs/dbraw/zinc/16/02/86/499160286.db2.gz HMEKCOWTPBCQIE-INIZCTEOSA-N 0 3 371.412 3.328 20 5 FGBDHN C[C@@H](NC1(C2CC2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000367564650 499212994 /nfs/dbraw/zinc/21/29/94/499212994.db2.gz IZLBQXRWHVNUBT-LLVKDONJSA-N 0 3 367.833 3.124 20 5 FGBDHN CC(C)c1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370706729 499246304 /nfs/dbraw/zinc/24/63/04/499246304.db2.gz CJCVAYLPENQUDD-XLIONFOSSA-N 0 3 374.529 3.176 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2nccs2)CC1 ZINC000368218560 499275194 /nfs/dbraw/zinc/27/51/94/499275194.db2.gz HSOHUEKLIFDXMJ-UHFFFAOYSA-N 0 3 360.439 3.210 20 5 FGBDHN C[C@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368496343 499301918 /nfs/dbraw/zinc/30/19/18/499301918.db2.gz NWEZPHVAPXWKKX-MAUKXSAKSA-N 0 3 353.422 3.089 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC12CCN(C)CC2 ZINC000371310879 499308853 /nfs/dbraw/zinc/30/88/53/499308853.db2.gz PMWMYSUDHHXSBK-AWEZNQCLSA-N 0 3 363.483 3.162 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)Nc2cnccn2)CC1 ZINC000371493190 499333833 /nfs/dbraw/zinc/33/38/33/499333833.db2.gz NJAVEPKUGOCSOK-AWEZNQCLSA-N 0 3 369.425 3.105 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000371677994 499354109 /nfs/dbraw/zinc/35/41/09/499354109.db2.gz XHXSTEGOZKOEHM-INIZCTEOSA-N 0 3 367.384 3.097 20 5 FGBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386273 506145610 /nfs/dbraw/zinc/14/56/10/506145610.db2.gz ISPNCMTZICLFFY-MAUKXSAKSA-N 0 3 371.437 3.150 20 5 FGBDHN CN1CCC2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)C1=O ZINC000369644842 499430881 /nfs/dbraw/zinc/43/08/81/499430881.db2.gz ARSUOUNHPVQFBG-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN CC(=O)c1cc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376174791 499588591 /nfs/dbraw/zinc/58/85/91/499588591.db2.gz UMGACAINKMDBMC-MZMPZRCHSA-N 0 3 361.442 3.099 20 5 FGBDHN O=C([C@H]1CCCCN1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408450183 499589239 /nfs/dbraw/zinc/58/92/39/499589239.db2.gz CYJCKCAHKMOGEZ-LJQANCHMSA-N 0 3 357.454 3.277 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccncc3-c3cccnc3)C2)nc1 ZINC000376405083 499606274 /nfs/dbraw/zinc/60/62/74/499606274.db2.gz BYALBKMYSHQXSB-HNNXBMFYSA-N 0 3 362.393 3.138 20 5 FGBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000376636131 499624949 /nfs/dbraw/zinc/62/49/49/499624949.db2.gz DTKWPSFRBOOMAE-UHFFFAOYSA-N 0 3 361.373 3.064 20 5 FGBDHN CC(C)Oc1cc(C(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000411318812 499725457 /nfs/dbraw/zinc/72/54/57/499725457.db2.gz ZOGLNFDREHEHNF-UHFFFAOYSA-N 0 3 371.437 3.374 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccncc1 ZINC000411414078 499737143 /nfs/dbraw/zinc/73/71/43/499737143.db2.gz DOXLBCACMGQHET-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN Cn1cc([C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000411470382 499744671 /nfs/dbraw/zinc/74/46/71/499744671.db2.gz CBRDGYPDECHRIG-KRWDZBQOSA-N 0 3 359.430 3.034 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414402151 499787044 /nfs/dbraw/zinc/78/70/44/499787044.db2.gz FOHXLQBGNBKHOQ-UHFFFAOYSA-N 0 3 374.397 3.188 20 5 FGBDHN CC(C)(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O ZINC000414513091 499801249 /nfs/dbraw/zinc/80/12/49/499801249.db2.gz FBAUYYNZFSQHPD-UHFFFAOYSA-N 0 3 366.439 3.158 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411953502 499806135 /nfs/dbraw/zinc/80/61/35/499806135.db2.gz UIGDBBUDOMJZQP-IEBWSBKVSA-N 0 3 369.421 3.040 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000412017446 499813273 /nfs/dbraw/zinc/81/32/73/499813273.db2.gz ZHJAPWIENPUDFU-GOSISDBHSA-N 0 3 358.442 3.065 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CNCCC2(F)F)s1 ZINC000415004451 499854063 /nfs/dbraw/zinc/85/40/63/499854063.db2.gz QLQZNVJVPWKROX-OAHLLOKOSA-N 0 3 353.394 3.410 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCN(C3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000413204780 499926578 /nfs/dbraw/zinc/92/65/78/499926578.db2.gz QGFRSNLGATVHEC-UHFFFAOYSA-N 0 3 358.364 3.463 20 5 FGBDHN CN(C)[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000416193242 499976473 /nfs/dbraw/zinc/97/64/73/499976473.db2.gz PVVSULDIPNKKLX-LJQANCHMSA-N 0 3 353.422 3.173 20 5 FGBDHN CC1(C)C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000573317882 506170777 /nfs/dbraw/zinc/17/07/77/506170777.db2.gz ZVZOMHSKVWVLQT-WMLDXEAASA-N 0 3 356.422 3.347 20 5 FGBDHN NC(=O)CC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000421349917 500023392 /nfs/dbraw/zinc/02/33/92/500023392.db2.gz KHFVUPOPZCCZSH-UHFFFAOYSA-N 0 3 363.801 3.253 20 5 FGBDHN COC(=O)c1cccc(OCCNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429230506 500027923 /nfs/dbraw/zinc/02/79/23/500027923.db2.gz ZFKNDWPDWOTZLG-UHFFFAOYSA-N 0 3 358.394 3.285 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(CC)CC ZINC000429344249 500056420 /nfs/dbraw/zinc/05/64/20/500056420.db2.gz LMACDJGTOUATLP-SJORKVTESA-N 0 3 363.458 3.415 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](c3nnc[n-]3)C2)s1 ZINC000425358773 500084229 /nfs/dbraw/zinc/08/42/29/500084229.db2.gz RMLXZCMKXYZQHD-GFCCVEGCSA-N 0 3 355.423 3.431 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](c3nnc[n-]3)C2)s1 ZINC000425358773 500084231 /nfs/dbraw/zinc/08/42/31/500084231.db2.gz RMLXZCMKXYZQHD-GFCCVEGCSA-N 0 3 355.423 3.431 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413919119 500095396 /nfs/dbraw/zinc/09/53/96/500095396.db2.gz SOPRQUSDHFHFCP-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425414643 500098447 /nfs/dbraw/zinc/09/84/47/500098447.db2.gz DKQWVHIVRDKJPY-CABCVRRESA-N 0 3 368.275 3.416 20 5 FGBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000425490401 500122104 /nfs/dbraw/zinc/12/21/04/500122104.db2.gz KXFUOXPAMAMJMO-YUTCNCBUSA-N 0 3 355.232 3.260 20 5 FGBDHN CC(C)(CO)[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425489620 500122143 /nfs/dbraw/zinc/12/21/43/500122143.db2.gz XXNFJGWFJFKDIX-CQSZACIVSA-N 0 3 357.248 3.244 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000421762601 500143241 /nfs/dbraw/zinc/14/32/41/500143241.db2.gz NIINFXSOPLWAPO-UHFFFAOYSA-N 0 3 371.437 3.082 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000417856752 500185282 /nfs/dbraw/zinc/18/52/82/500185282.db2.gz SOYHWFJQPLBDQG-KDOFPFPSSA-N 0 3 368.437 3.150 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417989017 500210536 /nfs/dbraw/zinc/21/05/36/500210536.db2.gz SKXQVFIFXVLADR-SUMWQHHRSA-N 0 3 356.426 3.217 20 5 FGBDHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552186 506184553 /nfs/dbraw/zinc/18/45/53/506184553.db2.gz FAAIOANQIQJOCM-OXJNMPFZSA-N 0 3 356.422 3.137 20 5 FGBDHN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000422706843 500287514 /nfs/dbraw/zinc/28/75/14/500287514.db2.gz GEGVJEPPZUWYQL-UHFFFAOYSA-N 0 3 357.435 3.182 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CNC2 ZINC000423584036 500386820 /nfs/dbraw/zinc/38/68/20/500386820.db2.gz CQOCKTJJAFOCBR-UHFFFAOYSA-N 0 3 357.435 3.240 20 5 FGBDHN CC(C)(C)c1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424071171 500447302 /nfs/dbraw/zinc/44/73/02/500447302.db2.gz DUAVKHWZPYDWJT-OAHLLOKOSA-N 0 3 353.422 3.423 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H](c3ccco3)N3CCCCC3)nc2c1 ZINC000427999088 500456469 /nfs/dbraw/zinc/45/64/69/500456469.db2.gz YGZKAUVIAHLAEM-MRXNPFEDSA-N 0 3 355.398 3.125 20 5 FGBDHN CN(c1ccccc1)c1ccc(CN[C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428659129 500539171 /nfs/dbraw/zinc/53/91/71/500539171.db2.gz YWAJHEASRWSAGV-CQSZACIVSA-N 0 3 365.380 3.468 20 5 FGBDHN CC[C@@H](C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000573498763 506204556 /nfs/dbraw/zinc/20/45/56/506204556.db2.gz ACTZKWLQNMMWNG-CQSZACIVSA-N 0 3 370.457 3.109 20 5 FGBDHN Cc1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000447304568 500588919 /nfs/dbraw/zinc/58/89/19/500588919.db2.gz IZZHCKVGRAFPAC-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN COc1cnccc1[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437098422 500602056 /nfs/dbraw/zinc/60/20/56/500602056.db2.gz RQUBIRSBHHAIOE-STQMWFEESA-N 0 3 358.398 3.066 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](C)C1 ZINC000437183702 500611287 /nfs/dbraw/zinc/61/12/87/500611287.db2.gz MPAHEHBISVELLT-NWDGAFQWSA-N 0 3 373.375 3.464 20 5 FGBDHN CCOc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OC ZINC000447532024 500618520 /nfs/dbraw/zinc/61/85/20/500618520.db2.gz UGVKTKYTCOFRLN-JKSUJKDBSA-N 0 3 374.441 3.472 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cccn(CC)c1=O ZINC000433080624 500621982 /nfs/dbraw/zinc/62/19/82/500621982.db2.gz CHJVKLQEUBXCAM-OAHLLOKOSA-N 0 3 361.467 3.437 20 5 FGBDHN COc1cc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000433193762 500644223 /nfs/dbraw/zinc/64/42/23/500644223.db2.gz LHZCBKKYQLHNCL-HNNXBMFYSA-N 0 3 371.437 3.315 20 5 FGBDHN CC1(C)CCCN(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000443956903 500783014 /nfs/dbraw/zinc/78/30/14/500783014.db2.gz BUWFVTBGLVAEJD-UHFFFAOYSA-N 0 3 374.485 3.365 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448690153 500804657 /nfs/dbraw/zinc/80/46/57/500804657.db2.gz KIUQFYPZHHUORD-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000439095838 500855245 /nfs/dbraw/zinc/85/52/45/500855245.db2.gz JJMWJWIYVLWNQA-CQSZACIVSA-N 0 3 364.446 3.089 20 5 FGBDHN COc1cc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000449062805 500914937 /nfs/dbraw/zinc/91/49/37/500914937.db2.gz MXOFGVOLKJQRTP-CYBMUJFWSA-N 0 3 360.410 3.341 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449105683 500926352 /nfs/dbraw/zinc/92/63/52/500926352.db2.gz DZDJTOSNQYQROV-KGLIPLIRSA-N 0 3 362.451 3.280 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc(OC2CCOCC2)c1 ZINC000449138494 500933542 /nfs/dbraw/zinc/93/35/42/500933542.db2.gz IHCWLZKJQUHBPN-OAHLLOKOSA-N 0 3 371.437 3.268 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000449170386 500939592 /nfs/dbraw/zinc/93/95/92/500939592.db2.gz QRPVWMOPIAXHSO-RKVPGOIHSA-N 0 3 353.422 3.309 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000449337690 500981195 /nfs/dbraw/zinc/98/11/95/500981195.db2.gz SLMYUBMVLJGDLV-HIFRSBDPSA-N 0 3 357.385 3.060 20 5 FGBDHN Cn1nnc2cc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000449494344 501016446 /nfs/dbraw/zinc/01/64/46/501016446.db2.gz AGSFDTICYNTDEM-INIZCTEOSA-N 0 3 351.410 3.256 20 5 FGBDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000445887557 501047212 /nfs/dbraw/zinc/04/72/12/501047212.db2.gz SZOWALZVLUKLJT-CYBMUJFWSA-N 0 3 359.348 3.051 20 5 FGBDHN O=[N+]([O-])c1cccc(CCNCc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000436403413 501120465 /nfs/dbraw/zinc/12/04/65/501120465.db2.gz APEJQJNYBOSQLL-UHFFFAOYSA-N 0 3 354.385 3.311 20 5 FGBDHN CN(CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCCC1 ZINC000436425767 501124894 /nfs/dbraw/zinc/12/48/94/501124894.db2.gz TYIZRGBZFFIDJC-UHFFFAOYSA-N 0 3 363.461 3.286 20 5 FGBDHN Cc1nc(NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)ncc1[N+](=O)[O-] ZINC000450525285 501144427 /nfs/dbraw/zinc/14/44/27/501144427.db2.gz BCAKJQSZSKYBQS-KRWDZBQOSA-N 0 3 359.430 3.195 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CN(C)C1=O ZINC000598942926 506236691 /nfs/dbraw/zinc/23/66/91/506236691.db2.gz QXCAABKAVYPXPC-KUHUBIRLSA-N 0 3 353.422 3.219 20 5 FGBDHN Cc1c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000436720206 501196268 /nfs/dbraw/zinc/19/62/68/501196268.db2.gz IPDAMLZHZMEQPR-INIZCTEOSA-N 0 3 353.422 3.426 20 5 FGBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000436723362 501197443 /nfs/dbraw/zinc/19/74/43/501197443.db2.gz LFWMLXZNAOLFGQ-SFHVURJKSA-N 0 3 353.422 3.047 20 5 FGBDHN Cc1cc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000436726356 501197906 /nfs/dbraw/zinc/19/79/06/501197906.db2.gz VQKNMHXLNABMMI-KRWDZBQOSA-N 0 3 353.422 3.426 20 5 FGBDHN COC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000447089850 501203697 /nfs/dbraw/zinc/20/36/97/501203697.db2.gz WPWOSHREUFDUPI-IBGZPJMESA-N 0 3 360.385 3.263 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451428376 501291012 /nfs/dbraw/zinc/29/10/12/501291012.db2.gz WCYBSVYGQKCLGQ-BASLNEPJSA-N 0 3 372.425 3.331 20 5 FGBDHN Cc1c([C@H](C)NC[C@H]2CS(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000453229133 501294991 /nfs/dbraw/zinc/29/49/91/501294991.db2.gz GEAZTILAHFGLMA-KBPBESRZSA-N 0 3 360.435 3.125 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451477624 501301450 /nfs/dbraw/zinc/30/14/50/501301450.db2.gz HXAZNZBSVTWBOJ-HUUCEWRRSA-N 0 3 367.833 3.124 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458201473 501391386 /nfs/dbraw/zinc/39/13/86/501391386.db2.gz UVQFKBNZLKBGAZ-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000458211989 501394476 /nfs/dbraw/zinc/39/44/76/501394476.db2.gz BGIIPMWFNJGRIV-UHFFFAOYSA-N 0 3 361.467 3.098 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458287501 501412281 /nfs/dbraw/zinc/41/22/81/501412281.db2.gz KZRUYJOJIUPIEH-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@H](NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882600 501551680 /nfs/dbraw/zinc/55/16/80/501551680.db2.gz BPQLGXLDPOPBJT-KRXQYRFLSA-N 0 3 360.458 3.028 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000457045404 501640009 /nfs/dbraw/zinc/64/00/09/501640009.db2.gz ATYCJUJKPSEIRV-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455196411 501705681 /nfs/dbraw/zinc/70/56/81/501705681.db2.gz QQFWBDSFJLRXFD-SFHVURJKSA-N 0 3 374.485 3.173 20 5 FGBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000485165442 501744945 /nfs/dbraw/zinc/74/49/45/501744945.db2.gz UKWAZUJGYGNVDA-GHMZBOCLSA-N 0 3 357.252 3.061 20 5 FGBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000485165445 501745431 /nfs/dbraw/zinc/74/54/31/501745431.db2.gz UKWAZUJGYGNVDA-MNOVXSKESA-N 0 3 357.252 3.061 20 5 FGBDHN COC(=O)COc1ccc(CNCc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000474360382 501804632 /nfs/dbraw/zinc/80/46/32/501804632.db2.gz GKLLRNSKCQVDQP-UHFFFAOYSA-N 0 3 358.394 3.053 20 5 FGBDHN C[C@@H]1[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000464077512 501891395 /nfs/dbraw/zinc/89/13/95/501891395.db2.gz SDEAHJXEGHETDK-JVPBZIDWSA-N 0 3 374.462 3.150 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000611754168 506286405 /nfs/dbraw/zinc/28/64/05/506286405.db2.gz AIFMERGZZJIOKP-QGZVFWFLSA-N 0 3 369.421 3.092 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nccn1CC(F)(F)F)C1CC1 ZINC000482263031 502023026 /nfs/dbraw/zinc/02/30/26/502023026.db2.gz ZTKODYQJJAGHEY-CQSZACIVSA-N 0 3 368.359 3.465 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCN1CCc2ccccc2C1=O ZINC000468612372 502125065 /nfs/dbraw/zinc/12/50/65/502125065.db2.gz ZBLGLCPMUKUHME-DTQAZKPQSA-N 0 3 365.433 3.286 20 5 FGBDHN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944760 502179884 /nfs/dbraw/zinc/17/98/84/502179884.db2.gz SSNQRZGEKGYCIK-QAPCUYQASA-N 0 3 370.409 3.170 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000479416409 502253276 /nfs/dbraw/zinc/25/32/76/502253276.db2.gz YLNWLRRVYUBOAH-NSHDSACASA-N 0 3 366.215 3.482 20 5 FGBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1N(C)C ZINC000461968781 502257494 /nfs/dbraw/zinc/25/74/94/502257494.db2.gz SSNXWZMFVGJHPO-KBPBESRZSA-N 0 3 363.405 3.404 20 5 FGBDHN C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000483143239 502290030 /nfs/dbraw/zinc/29/00/30/502290030.db2.gz OJOFVZUXGGNKDE-AFAVFJNCSA-N 0 3 350.365 3.483 20 5 FGBDHN O=C1Nc2ccccc2C[C@@H]1N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599074089 506310215 /nfs/dbraw/zinc/31/02/15/506310215.db2.gz LCQBYBYUVVQBEE-LJHODMEESA-N 0 3 365.433 3.459 20 5 FGBDHN CCOC(=O)C1(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000473078496 502515993 /nfs/dbraw/zinc/51/59/93/502515993.db2.gz PSZVTGSFOFRHME-UHFFFAOYSA-N 0 3 374.393 3.296 20 5 FGBDHN Cc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000466474224 502581333 /nfs/dbraw/zinc/58/13/33/502581333.db2.gz NQZAARYXFFRUPQ-MAUKXSAKSA-N 0 3 353.422 3.182 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466538469 502601206 /nfs/dbraw/zinc/60/12/06/502601206.db2.gz HGWIRKSFIBMIDV-WMLDXEAASA-N 0 3 354.410 3.379 20 5 FGBDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139955 502674947 /nfs/dbraw/zinc/67/49/47/502674947.db2.gz BZAGAEREAAKVAJ-OWQGQXMQSA-N 0 3 371.462 3.409 20 5 FGBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000470148872 502679522 /nfs/dbraw/zinc/67/95/22/502679522.db2.gz XTCNVTNDDGNLFJ-OAHLLOKOSA-N 0 3 358.373 3.130 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000470170092 502692098 /nfs/dbraw/zinc/69/20/98/502692098.db2.gz OKCJKRWLRGUYOZ-GTVARFKMSA-N 0 3 359.470 3.042 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000484717613 502718784 /nfs/dbraw/zinc/71/87/84/502718784.db2.gz CCVSFWDAQYLDGG-YOEHRIQHSA-N 0 3 374.441 3.159 20 5 FGBDHN C[C@H](c1cccnc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481198360 502780698 /nfs/dbraw/zinc/78/06/98/502780698.db2.gz NUOPUUMTEGKSDW-CQSZACIVSA-N 0 3 366.425 3.139 20 5 FGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000504899935 502821095 /nfs/dbraw/zinc/82/10/95/502821095.db2.gz OOHBJODDINVHGM-HNNXBMFYSA-N 0 3 371.437 3.383 20 5 FGBDHN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000505006408 502838511 /nfs/dbraw/zinc/83/85/11/502838511.db2.gz SXFBGCGMNYXNST-QGZVFWFLSA-N 0 3 370.453 3.440 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)COCc1ccccc1 ZINC000500812376 502868666 /nfs/dbraw/zinc/86/86/66/502868666.db2.gz CKVBFDFVGXBVPM-UHFFFAOYSA-N 0 3 371.437 3.427 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC000593021386 506341032 /nfs/dbraw/zinc/34/10/32/506341032.db2.gz LKYCJLAWQBSESX-GOSISDBHSA-N 0 3 371.412 3.230 20 5 FGBDHN COc1ccc(OCCN[C@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000513415235 502932317 /nfs/dbraw/zinc/93/23/17/502932317.db2.gz IPFHYRAQCOIPJP-GFCCVEGCSA-N 0 3 356.382 3.209 20 5 FGBDHN COc1c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505596010 502944829 /nfs/dbraw/zinc/94/48/29/502944829.db2.gz IVSWYLHFJNACCK-CXAGYDPISA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489446612 502960686 /nfs/dbraw/zinc/96/06/86/502960686.db2.gz ISIOOCQJEDPGCR-GDBMZVCRSA-N 0 3 374.485 3.480 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000501227312 502962212 /nfs/dbraw/zinc/96/22/12/502962212.db2.gz KEFDCSAJMPUJNO-CRAIPNDOSA-N 0 3 353.422 3.089 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000501459519 503014419 /nfs/dbraw/zinc/01/44/19/503014419.db2.gz UGJSZQHOJWLAPO-STQMWFEESA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000509963630 503019288 /nfs/dbraw/zinc/01/92/88/503019288.db2.gz MVFDQIGPPVKJST-CQSZACIVSA-N 0 3 372.425 3.418 20 5 FGBDHN CSc1ccccc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000501499931 503022663 /nfs/dbraw/zinc/02/26/63/503022663.db2.gz IASXULWAHJKFDP-HIFRSBDPSA-N 0 3 362.451 3.407 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CCCN2CCOCC2)CC1 ZINC000506029814 503032746 /nfs/dbraw/zinc/03/27/46/503032746.db2.gz DRSCAWGLPIOFEA-QGZVFWFLSA-N 0 3 361.486 3.480 20 5 FGBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(C(C)(C)C)[nH]n1 ZINC000501840798 503091358 /nfs/dbraw/zinc/09/13/58/503091358.db2.gz DVSRDPCIGIHNRM-UHFFFAOYSA-N 0 3 359.430 3.076 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510405960 503107621 /nfs/dbraw/zinc/10/76/21/503107621.db2.gz JHTBPHHFXQMIGS-MRXNPFEDSA-N 0 3 352.394 3.270 20 5 FGBDHN Cc1cc(N2CCC(C)(N3CCOCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000599160139 506352985 /nfs/dbraw/zinc/35/29/85/506352985.db2.gz HHJSAUUOXXEUDD-UHFFFAOYSA-N 0 3 370.453 3.143 20 5 FGBDHN COc1cccc([C@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000514522447 503133456 /nfs/dbraw/zinc/13/34/56/503133456.db2.gz GADBLYRPSCXKQF-YLJYHZDGSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H](CC(N)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498380480 503174378 /nfs/dbraw/zinc/17/43/78/503174378.db2.gz INKAVJPMWMJADK-LLVKDONJSA-N 0 3 363.801 3.394 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000510957255 503224305 /nfs/dbraw/zinc/22/43/05/503224305.db2.gz FQMMMKXUPTWXEU-ILXRZTDVSA-N 0 3 363.483 3.209 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000510957258 503225422 /nfs/dbraw/zinc/22/54/22/503225422.db2.gz FQMMMKXUPTWXEU-RBSFLKMASA-N 0 3 363.483 3.209 20 5 FGBDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000502576578 503230488 /nfs/dbraw/zinc/23/04/88/503230488.db2.gz WOSUHXDOSHTFAR-ZLKJLUDKSA-N 0 3 357.357 3.062 20 5 FGBDHN COCC[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000507483189 503306776 /nfs/dbraw/zinc/30/67/76/503306776.db2.gz REIQRCVOJHCOST-CZUORRHYSA-N 0 3 361.398 3.272 20 5 FGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2SCC)c([N+](=O)[O-])c1 ZINC000503446271 503411336 /nfs/dbraw/zinc/41/13/36/503411336.db2.gz JNQPHSIJUVCMNJ-GDBMZVCRSA-N 0 3 367.471 3.196 20 5 FGBDHN O=C(CN[C@H]1CCC[C@@H]1OCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000503530409 503430764 /nfs/dbraw/zinc/43/07/64/503430764.db2.gz FUNNFCZDQCPWHM-HKUYNNGSSA-N 0 3 369.421 3.261 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000500098958 503553848 /nfs/dbraw/zinc/55/38/48/503553848.db2.gz ACOJTCCEFRYUDR-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN COc1cc(CN[C@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494651547 503583649 /nfs/dbraw/zinc/58/36/49/503583649.db2.gz VJLLHVSZYGLGJO-DGCLKSJQSA-N 0 3 374.384 3.295 20 5 FGBDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516828211 503594938 /nfs/dbraw/zinc/59/49/38/503594938.db2.gz IJBHWTWAXOGGOP-HOTGVXAUSA-N 0 3 355.438 3.335 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1)C[C@H](C)O ZINC000532970224 503681731 /nfs/dbraw/zinc/68/17/31/503681731.db2.gz BYOLQZAFAMNILB-INIZCTEOSA-N 0 3 371.437 3.115 20 5 FGBDHN Nc1ccc(-c2noc(-c3cccc(CN4CCCC4)c3)n2)cc1[N+](=O)[O-] ZINC000546258273 503688350 /nfs/dbraw/zinc/68/83/50/503688350.db2.gz BQGBLQXAVOZEKB-UHFFFAOYSA-N 0 3 365.393 3.490 20 5 FGBDHN CCC[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000540176772 503698447 /nfs/dbraw/zinc/69/84/47/503698447.db2.gz GDFPJCPSWUCJEY-PVAVHDDUSA-N 0 3 354.472 3.381 20 5 FGBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)cc21 ZINC000546419245 503742110 /nfs/dbraw/zinc/74/21/10/503742110.db2.gz HETMJKDBCIRBTJ-ZDUSSCGKSA-N 0 3 369.362 3.063 20 5 FGBDHN CC1(C)CN(C2(CNCc3ccccc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000540599944 503828991 /nfs/dbraw/zinc/82/89/91/503828991.db2.gz VNMKWULJGQABPY-UHFFFAOYSA-N 0 3 361.486 3.498 20 5 FGBDHN CC(C)NC(=O)c1ccc(NCCN2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000518066957 503902807 /nfs/dbraw/zinc/90/28/07/503902807.db2.gz HQMRJKKHXNHNCF-GASCZTMLSA-N 0 3 362.474 3.408 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000540902023 503931919 /nfs/dbraw/zinc/93/19/19/503931919.db2.gz OEOCBQUABCQMDK-GFCCVEGCSA-N 0 3 373.375 3.355 20 5 FGBDHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000518354340 503960959 /nfs/dbraw/zinc/96/09/59/503960959.db2.gz GOEGXDSKNGNJCI-UHFFFAOYSA-N 0 3 368.437 3.136 20 5 FGBDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000537833284 504057967 /nfs/dbraw/zinc/05/79/67/504057967.db2.gz JVYLFPNXAZOISX-MJGOQNOKSA-N 0 3 355.438 3.198 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccccc1N(C)C ZINC000537971144 504099705 /nfs/dbraw/zinc/09/97/05/504099705.db2.gz ASEPDOCLPDNETG-AWEZNQCLSA-N 0 3 356.426 3.168 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000530870507 504114483 /nfs/dbraw/zinc/11/44/83/504114483.db2.gz KKBBWPKJDMTLFW-IBGZPJMESA-N 0 3 373.478 3.320 20 5 FGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CC(C)(C)O)C1CCOCC1 ZINC000530939152 504136261 /nfs/dbraw/zinc/13/62/61/504136261.db2.gz LDWKPUFJGIICGT-UHFFFAOYSA-N 0 3 366.458 3.134 20 5 FGBDHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541738126 504238933 /nfs/dbraw/zinc/23/89/33/504238933.db2.gz CEKNUMMWIPTUJM-VBQJREDUSA-N 0 3 354.472 3.173 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000534966462 504296637 /nfs/dbraw/zinc/29/66/37/504296637.db2.gz WAOYYKKLTMPYCI-KRWDZBQOSA-N 0 3 352.394 3.109 20 5 FGBDHN Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000548020051 504299823 /nfs/dbraw/zinc/29/98/23/504299823.db2.gz QSYVVNFSZCHFJW-HNAYVOBHSA-N 0 3 357.458 3.156 20 5 FGBDHN CCc1cnccc1[C@H](C)NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000542124381 504371697 /nfs/dbraw/zinc/37/16/97/504371697.db2.gz XUUCPZQDYDRYCR-ZDUSSCGKSA-N 0 3 372.425 3.240 20 5 FGBDHN CCOc1cccc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000545163775 504380928 /nfs/dbraw/zinc/38/09/28/504380928.db2.gz XMYXPBVCUZWYES-GJZGRUSLSA-N 0 3 351.447 3.295 20 5 FGBDHN CC(C)N(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542198990 504403046 /nfs/dbraw/zinc/40/30/46/504403046.db2.gz CFJHXCRARSAKQB-KRWDZBQOSA-N 0 3 362.401 3.384 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000539050432 504457722 /nfs/dbraw/zinc/45/77/22/504457722.db2.gz LCOZFUVSRSAPRI-ORAYPTAESA-N 0 3 354.410 3.448 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)(F)F ZINC000539054295 504459561 /nfs/dbraw/zinc/45/95/61/504459561.db2.gz KEMQYRPVQVKNTE-QWRGUYRKSA-N 0 3 352.378 3.368 20 5 FGBDHN C[C@H](Cn1cc(Br)cn1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539297405 504522881 /nfs/dbraw/zinc/52/28/81/504522881.db2.gz CNMXLARHKWKDGF-MNOVXSKESA-N 0 3 353.220 3.293 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000542803071 504616723 /nfs/dbraw/zinc/61/67/23/504616723.db2.gz WCNKUUQEJVCJCH-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000548934409 504626322 /nfs/dbraw/zinc/62/63/22/504626322.db2.gz DYEXBNMCLFHEEW-IBGZPJMESA-N 0 3 358.438 3.126 20 5 FGBDHN COc1ccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000536344729 504704606 /nfs/dbraw/zinc/70/46/06/504704606.db2.gz XLNWYPNNKYDUHP-GJZGRUSLSA-N 0 3 352.456 3.090 20 5 FGBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549230280 504731029 /nfs/dbraw/zinc/73/10/29/504731029.db2.gz NZJWJNHWGFNKJT-CCKFTAQKSA-N 0 3 374.462 3.150 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000549301481 504786583 /nfs/dbraw/zinc/78/65/83/504786583.db2.gz YXNRXWYGQHVBIR-OAHLLOKOSA-N 0 3 361.442 3.084 20 5 FGBDHN CC(C)C1CCC(N2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000553109743 504830150 /nfs/dbraw/zinc/83/01/50/504830150.db2.gz GVFCOFLCPLOYKG-UHFFFAOYSA-N 0 3 374.485 3.031 20 5 FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000553336301 504886904 /nfs/dbraw/zinc/88/69/04/504886904.db2.gz NPIMFGGXDCBJRU-WCQYABFASA-N 0 3 354.248 3.420 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000565737229 504973356 /nfs/dbraw/zinc/97/33/56/504973356.db2.gz KNXWTPRAJGZUCK-DNVCBOLYSA-N 0 3 353.422 3.296 20 5 FGBDHN CC(C)(C)c1ccncc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566004863 505052543 /nfs/dbraw/zinc/05/25/43/505052543.db2.gz HTKSYHRCUKIEFN-UHFFFAOYSA-N 0 3 356.426 3.406 20 5 FGBDHN COc1ccc(C(=O)N(CCN2CCCCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000554078194 505083106 /nfs/dbraw/zinc/08/31/06/505083106.db2.gz FPIWMPUADWEUEH-UHFFFAOYSA-N 0 3 363.458 3.330 20 5 FGBDHN C[C@@H]1CN(CC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000557568849 505169800 /nfs/dbraw/zinc/16/98/00/505169800.db2.gz LGLGVONGHPEIRY-OKILXGFUSA-N 0 3 351.422 3.060 20 5 FGBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc2c1CCNC2 ZINC000561045538 505237537 /nfs/dbraw/zinc/23/75/37/505237537.db2.gz ORIALULTPCVHDN-UHFFFAOYSA-N 0 3 374.828 3.258 20 5 FGBDHN CSc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561759935 505428713 /nfs/dbraw/zinc/42/87/13/505428713.db2.gz FKNMLMHIIKKCOU-UMVBOHGHSA-N 0 3 363.483 3.119 20 5 FGBDHN CCc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000567420339 505456688 /nfs/dbraw/zinc/45/66/88/505456688.db2.gz KZHMNVVIVGBZBZ-KRWDZBQOSA-N 0 3 359.401 3.329 20 5 FGBDHN CN(C)C(=O)C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000558937066 505533645 /nfs/dbraw/zinc/53/36/45/505533645.db2.gz XIDFRSNVKNHHRH-XSZJWBAASA-N 0 3 353.422 3.417 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000564840316 505535144 /nfs/dbraw/zinc/53/51/44/505535144.db2.gz GVKQODOKFBEDOJ-CYBMUJFWSA-N 0 3 357.435 3.237 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000564862685 505542964 /nfs/dbraw/zinc/54/29/64/505542964.db2.gz FKYJZNODZAQBFN-INIZCTEOSA-N 0 3 354.328 3.307 20 5 FGBDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552743566 505547614 /nfs/dbraw/zinc/54/76/14/505547614.db2.gz PIPBEZFEBWYMJR-SECBINFHSA-N 0 3 358.236 3.463 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000564949148 505562704 /nfs/dbraw/zinc/56/27/04/505562704.db2.gz IIQMGILPVFWDHW-DLBZAZTESA-N 0 3 371.462 3.274 20 5 FGBDHN Cc1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cc1[N+](=O)[O-] ZINC000596638791 506504319 /nfs/dbraw/zinc/50/43/19/506504319.db2.gz CTCYUODGSMGXDR-UHFFFAOYSA-N 0 3 356.422 3.406 20 5 FGBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000603458564 506520386 /nfs/dbraw/zinc/52/03/86/506520386.db2.gz UURLLIJTIIWTHP-KRWDZBQOSA-N 0 3 374.485 3.045 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)C[C@H]1C ZINC000599623383 506535007 /nfs/dbraw/zinc/53/50/07/506535007.db2.gz PDKIFTPIQCPGFD-LLVKDONJSA-N 0 3 357.357 3.052 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599621849 506535423 /nfs/dbraw/zinc/53/54/23/506535423.db2.gz ICVGLRHCTPEJNX-LLVKDONJSA-N 0 3 357.357 3.052 20 5 FGBDHN CC(C)CCSc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000603571362 506561131 /nfs/dbraw/zinc/56/11/31/506561131.db2.gz BMOWZLMZYSWWLJ-CYBMUJFWSA-N 0 3 353.488 3.413 20 5 FGBDHN CN(C)Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000589530167 506579200 /nfs/dbraw/zinc/57/92/00/506579200.db2.gz MKUVZCZWGDDXDD-UHFFFAOYSA-N 0 3 366.421 3.110 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829447 506661506 /nfs/dbraw/zinc/66/15/06/506661506.db2.gz CSXDINHDLHQYMU-KGLIPLIRSA-N 0 3 369.425 3.234 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834300 506666278 /nfs/dbraw/zinc/66/62/78/506666278.db2.gz FLMQWQHGVWVKRZ-UHFFFAOYSA-N 0 3 371.441 3.387 20 5 FGBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599834319 506666339 /nfs/dbraw/zinc/66/63/39/506666339.db2.gz GXMCBOHPDSOUBG-UHFFFAOYSA-N 0 3 371.441 3.481 20 5 FGBDHN Cc1[nH]c2ccccc2c1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000608887650 506737999 /nfs/dbraw/zinc/73/79/99/506737999.db2.gz LHDFOWXSXUSBJA-UHFFFAOYSA-N 0 3 367.405 3.488 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593725167 506750601 /nfs/dbraw/zinc/75/06/01/506750601.db2.gz GNLQLYGTZUEINB-XJKSGUPXSA-N 0 3 371.437 3.420 20 5 FGBDHN CC(C)(C)Oc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000604436900 506832074 /nfs/dbraw/zinc/83/20/74/506832074.db2.gz SJHOBVGNLGSIDM-QGZVFWFLSA-N 0 3 374.437 3.302 20 5 FGBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@H]2N1 ZINC000597204392 506834581 /nfs/dbraw/zinc/83/45/81/506834581.db2.gz AVWCYSQWYLARBZ-CZUORRHYSA-N 0 3 371.462 3.424 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600229364 506861706 /nfs/dbraw/zinc/86/17/06/506861706.db2.gz QTJJFTABPBGEEA-AWEZNQCLSA-N 0 3 351.834 3.385 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccc3ccccc3n1)OCCO2 ZINC000604532698 506863452 /nfs/dbraw/zinc/86/34/52/506863452.db2.gz UBGXNMDWOANOIP-UHFFFAOYSA-N 0 3 365.389 3.247 20 5 FGBDHN O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000590659548 506898353 /nfs/dbraw/zinc/89/83/53/506898353.db2.gz ACNMDDWEDADQSP-MSOLQXFVSA-N 0 3 374.437 3.242 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000609502314 506901374 /nfs/dbraw/zinc/90/13/74/506901374.db2.gz VTTZSYPXMOYHOL-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609732307 506983521 /nfs/dbraw/zinc/98/35/21/506983521.db2.gz PHDJOMJANLPYOV-AWEZNQCLSA-N 0 3 369.849 3.008 20 5 FGBDHN C[C@H]1CN2CCCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767149 506993242 /nfs/dbraw/zinc/99/32/42/506993242.db2.gz QEOSAIXTFJBYLE-MAUKXSAKSA-N 0 3 370.453 3.351 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195973 506999599 /nfs/dbraw/zinc/99/95/99/506999599.db2.gz JORSQDDTSMHOGR-UONOGXRCSA-N 0 3 351.834 3.303 20 5 FGBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916219 507049126 /nfs/dbraw/zinc/04/91/26/507049126.db2.gz FMZZIYIZHKEKBI-ALKREAHSSA-N 0 3 374.412 3.352 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CCCC2)CC1 ZINC000609997374 507065763 /nfs/dbraw/zinc/06/57/63/507065763.db2.gz MZIHMLZEXWRKPV-UHFFFAOYSA-N 0 3 363.483 3.164 20 5 FGBDHN COc1ccc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000594344660 507085999 /nfs/dbraw/zinc/08/59/99/507085999.db2.gz JGBCDLHTSCXWQU-HNNXBMFYSA-N 0 3 355.394 3.064 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597921516 507176158 /nfs/dbraw/zinc/17/61/58/507176158.db2.gz GMGTVXPFEYKGHJ-SNVBAGLBSA-N 0 3 359.348 3.216 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000597924415 507177756 /nfs/dbraw/zinc/17/77/56/507177756.db2.gz QYLGEMFOJVIADK-LLVKDONJSA-N 0 3 359.348 3.216 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489148 507260300 /nfs/dbraw/zinc/26/03/00/507260300.db2.gz HOTZYJGPULINEX-CQSZACIVSA-N 0 3 373.375 3.305 20 5 FGBDHN CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000601169807 507286716 /nfs/dbraw/zinc/28/67/16/507286716.db2.gz GFVPOGMQPJUETO-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN Cc1ccc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598193978 507306111 /nfs/dbraw/zinc/30/61/11/507306111.db2.gz CPAZEQZPLXIGEJ-IBGZPJMESA-N 0 3 367.449 3.292 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccc2c(c1)OCCO2 ZINC000595003296 507350015 /nfs/dbraw/zinc/35/00/15/507350015.db2.gz GESJSGUHJDYTBS-CYBMUJFWSA-N 0 3 358.394 3.268 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cn2c(cccc2C)n1 ZINC000595046244 507366574 /nfs/dbraw/zinc/36/65/74/507366574.db2.gz ONGJAOXGKVEJMU-AWEZNQCLSA-N 0 3 354.410 3.453 20 5 FGBDHN C[C@H](NCc1ccc(CN2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065313 507375107 /nfs/dbraw/zinc/37/51/07/507375107.db2.gz AACYOYWIKRVWKM-MGPUTAFESA-N 0 3 355.438 3.012 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H](COC)C2CCOCC2)cc1[N+](=O)[O-] ZINC000595067307 507376129 /nfs/dbraw/zinc/37/61/29/507376129.db2.gz LPTRDHZQRVKNBX-BBRMVZONSA-N 0 3 352.431 3.086 20 5 FGBDHN COc1cc(CN(C)C)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000601619325 507404127 /nfs/dbraw/zinc/40/41/27/507404127.db2.gz AUGYSJPHWPIAFE-UHFFFAOYSA-N 0 3 372.425 3.106 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3nsc4ccccc34)C2)nc1 ZINC000595374825 507475805 /nfs/dbraw/zinc/47/58/05/507475805.db2.gz LTVQWCFOXMJTQW-ZDUSSCGKSA-N 0 3 369.450 3.328 20 5 FGBDHN CC(C)OC1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611039229 507491744 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3.003 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611526996 507723461 /nfs/dbraw/zinc/72/34/61/507723461.db2.gz OIHNPBBJRAKXTQ-UHFFFAOYSA-N 0 3 372.425 3.273 20 5 FGBDHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(Cl)cc1 ZINC000587989929 507726497 /nfs/dbraw/zinc/72/64/97/507726497.db2.gz IBXSEHYWDCMIEL-MRXNPFEDSA-N 0 3 364.833 3.038 20 5 FGBDHN CN(C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000602517033 507734375 /nfs/dbraw/zinc/73/43/75/507734375.db2.gz AGGUEVZCBXJJKQ-MRXNPFEDSA-N 0 3 358.373 3.268 20 5 FGBDHN CN(C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000602517032 507735451 /nfs/dbraw/zinc/73/54/51/507735451.db2.gz AGGUEVZCBXJJKQ-INIZCTEOSA-N 0 3 358.373 3.268 20 5 FGBDHN CCC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccn1 ZINC000602539023 507742731 /nfs/dbraw/zinc/74/27/31/507742731.db2.gz PVEFEEVBBMXKLX-GOSISDBHSA-N 0 3 355.442 3.485 20 5 FGBDHN CC1(C)[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)[C@H]2CCO[C@H]21 ZINC000602560380 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O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Br)c(F)c2)cc1 ZINC000763431022 723342605 /nfs/dbraw/zinc/34/26/05/723342605.db2.gz MUBKUJDITPWOGJ-HNNXBMFYSA-N 0 3 369.190 3.320 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cc(F)cc(Br)c2)cc1 ZINC000776277449 724127480 /nfs/dbraw/zinc/12/74/80/724127480.db2.gz POWYSVZOBQEHPA-OAHLLOKOSA-N 0 3 369.190 3.320 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000784484376 724857406 /nfs/dbraw/zinc/85/74/06/724857406.db2.gz YTZICJJHRDAPDB-ZDUSSCGKSA-N 0 3 354.332 3.300 20 5 FGBDHN Cn1c(Cl)nc(Cl)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808452917 725201896 /nfs/dbraw/zinc/20/18/96/725201896.db2.gz UNGWOIDNWOTPRA-UHFFFAOYSA-N 0 3 368.224 3.449 20 5 FGBDHN CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000810043568 725284391 /nfs/dbraw/zinc/28/43/91/725284391.db2.gz XLYKHOXUBOVQCH-ZDUSSCGKSA-N 0 3 369.849 3.466 20 5 FGBDHN CC(COC(=O)CCc1nc2cc(Br)ccc2s1)[N+](=O)[O-] ZINC000813102477 726838890 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CC([C@@H](OC(=O)CSCc1cscn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875149 730905030 /nfs/dbraw/zinc/90/50/30/730905030.db2.gz KJGYYWVKEAESKV-ZUZCIYMTSA-N 0 3 370.427 3.465 20 5 FGBDHN CC(=O)c1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881010 730905708 /nfs/dbraw/zinc/90/57/08/730905708.db2.gz JVHPRGZZCKEOKE-OQPBUACISA-N 0 3 352.343 3.048 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000847081421 731017650 /nfs/dbraw/zinc/01/76/50/731017650.db2.gz UQHOXIJYCKUKTL-UKRRQHHQSA-N 0 3 355.822 3.124 20 5 FGBDHN C[C@@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000847962853 731115248 /nfs/dbraw/zinc/11/52/48/731115248.db2.gz LACIRZBQAYSPNP-NSHDSACASA-N 0 3 358.341 3.227 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2SCCS2)c1 ZINC000850407875 731353555 /nfs/dbraw/zinc/35/35/55/731353555.db2.gz UIHRRBJMSWHZKU-UHFFFAOYSA-N 0 3 350.412 3.482 20 5 FGBDHN CCn1ncc(Cl)c1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000857036829 732093234 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3.004 20 5 FGBDHN C[C@@H]1CC2(CC(NCc3cc(Br)c([N+](=O)[O-])s3)C2)CO1 ZINC000897776698 742712723 /nfs/dbraw/zinc/71/27/23/742712723.db2.gz VAHHPDVXPFMBPP-BGQFSCJGSA-N 0 3 361.261 3.466 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900430070 743112423 /nfs/dbraw/zinc/11/24/23/743112423.db2.gz RBPLXRFBVXTNGQ-UHFFFAOYSA-N 0 3 357.813 3.334 20 5 FGBDHN C[C@@H](Cc1ccccn1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000926849383 759831384 /nfs/dbraw/zinc/83/13/84/759831384.db2.gz KHOYVHJMSPWQLT-NSHDSACASA-N 0 3 350.216 3.473 20 5 FGBDHN CCC(CC)Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000579970677 505654676 /nfs/dbraw/zinc/65/46/76/505654676.db2.gz ILBLSGOJUPTRQU-UHFFFAOYSA-N 0 3 358.398 3.273 20 5 FGBDHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000579970677 505654681 /nfs/dbraw/zinc/65/46/81/505654681.db2.gz ILBLSGOJUPTRQU-UHFFFAOYSA-N 0 3 358.398 3.273 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068256716 493786161 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359.470 3.182 20 5 FGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074958537 494664450 /nfs/dbraw/zinc/66/44/50/494664450.db2.gz GACUJTOHYROHDJ-GWCFXTLKSA-N 0 3 359.348 3.026 20 5 FGBDHN Cc1c(CN2CCC(C(=O)Nc3ccccc3O)CC2)cccc1[N+](=O)[O-] ZINC000121257190 494669072 /nfs/dbraw/zinc/66/90/72/494669072.db2.gz HCQQJBUYBFNYGB-UHFFFAOYSA-N 0 3 369.421 3.460 20 5 FGBDHN C[C@@H]1CN(CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092587085 494678452 /nfs/dbraw/zinc/67/84/52/494678452.db2.gz CJUDJNVAPUVXDK-OBJZWFGXSA-N 0 3 373.497 3.429 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(n3cncn3)CC2)o1 ZINC000092647844 494694002 /nfs/dbraw/zinc/69/40/02/494694002.db2.gz BEUIBNUFYJSKGE-UHFFFAOYSA-N 0 3 353.382 3.283 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000126293846 494698568 /nfs/dbraw/zinc/69/85/68/494698568.db2.gz LMBJHSWYASGEBI-UHFFFAOYSA-N 0 3 372.400 3.118 20 5 FGBDHN Cc1nnc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)[nH]1 ZINC000092736991 494730750 /nfs/dbraw/zinc/73/07/50/494730750.db2.gz AIAPLRBTYYGIEZ-UHFFFAOYSA-N 0 3 367.356 3.002 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000126387464 494733912 /nfs/dbraw/zinc/73/39/12/494733912.db2.gz AGZCUNHLQWRXGX-WMLDXEAASA-N 0 3 360.410 3.084 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccnc4ccccc43)CC2)n1 ZINC000568644201 505744232 /nfs/dbraw/zinc/74/42/32/505744232.db2.gz BLGIMEUPQMQVGP-UHFFFAOYSA-N 0 3 351.410 3.219 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1C ZINC000026224071 494811083 /nfs/dbraw/zinc/81/10/83/494811083.db2.gz OJIKWIFGKHJXAJ-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN Cc1c(NC(=O)CCN(C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000026222809 494811562 /nfs/dbraw/zinc/81/15/62/494811562.db2.gz IKLCILILXWNJTG-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CCO)C3)o2)c([N+](=O)[O-])c1 ZINC000093106581 494826537 /nfs/dbraw/zinc/82/65/37/494826537.db2.gz HFUUNHXTLSXVFE-CQSZACIVSA-N 0 3 360.410 3.458 20 5 FGBDHN Cc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000121771172 494857159 /nfs/dbraw/zinc/85/71/59/494857159.db2.gz UBUIENQERHIFOZ-MRXNPFEDSA-N 0 3 351.410 3.326 20 5 FGBDHN CNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093360823 494878067 /nfs/dbraw/zinc/87/80/67/494878067.db2.gz TWSYPTWZXHBQKJ-ZDUSSCGKSA-N 0 3 359.451 3.281 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000109505212 494883269 /nfs/dbraw/zinc/88/32/69/494883269.db2.gz NWCYGAYIZFGMNY-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN COCCOC[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093754793 494917031 /nfs/dbraw/zinc/91/70/31/494917031.db2.gz QYTUZQNLIGQKRE-OAHLLOKOSA-N 0 3 360.410 3.340 20 5 FGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109886612 494929458 /nfs/dbraw/zinc/92/94/58/494929458.db2.gz DOMMFXJFTRQULN-OAHLLOKOSA-N 0 3 358.442 3.461 20 5 FGBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(CC2CCCCC2)CC1 ZINC000109917802 494932809 /nfs/dbraw/zinc/93/28/09/494932809.db2.gz VVGCHZBEOYKPHH-UHFFFAOYSA-N 0 3 370.453 3.414 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132895977 494939534 /nfs/dbraw/zinc/93/95/34/494939534.db2.gz BLNNVDYDBNAPIN-UHFFFAOYSA-N 0 3 361.423 3.052 20 5 FGBDHN CN(C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000117634906 494939755 /nfs/dbraw/zinc/93/97/55/494939755.db2.gz MIYMWZQPXKAROR-UHFFFAOYSA-N 0 3 361.829 3.386 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110355679 494973002 /nfs/dbraw/zinc/97/30/02/494973002.db2.gz PBURHESLSDZRBZ-HNNXBMFYSA-N 0 3 371.437 3.244 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 ZINC000133132039 494974576 /nfs/dbraw/zinc/97/45/76/494974576.db2.gz ZZGUEYJPXKXRBM-UHFFFAOYSA-N 0 3 367.449 3.308 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119620205 495203130 /nfs/dbraw/zinc/20/31/30/495203130.db2.gz FPZXNTKMMGBOAL-KBXCAEBGSA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134917068 495222295 /nfs/dbraw/zinc/22/22/95/495222295.db2.gz FBZPODNORVCMOH-XJKSGUPXSA-N 0 3 357.385 3.127 20 5 FGBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000119874027 495259274 /nfs/dbraw/zinc/25/92/74/495259274.db2.gz VKOFBXDGEBUPRG-QGZVFWFLSA-N 0 3 368.437 3.031 20 5 FGBDHN CC(=O)N1CCC(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113338174 495297803 /nfs/dbraw/zinc/29/78/03/495297803.db2.gz BKCQHLWJLFQRAI-UHFFFAOYSA-N 0 3 374.466 3.066 20 5 FGBDHN Cn1cnnc1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000130597154 495417261 /nfs/dbraw/zinc/41/72/61/495417261.db2.gz IOYRZLMRUKSLFU-UHFFFAOYSA-N 0 3 367.409 3.363 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000125470467 495449456 /nfs/dbraw/zinc/44/94/56/495449456.db2.gz NJOGMOAYWKXICJ-GOSISDBHSA-N 0 3 354.410 3.464 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000140190397 495490511 /nfs/dbraw/zinc/49/05/11/495490511.db2.gz JNWDDKHGYSIKCV-OAHLLOKOSA-N 0 3 373.478 3.227 20 5 FGBDHN CC(C)Oc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182396706 495546328 /nfs/dbraw/zinc/54/63/28/495546328.db2.gz OLTNNOQWGDJYSO-WBVHZDCISA-N 0 3 374.437 3.473 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000179672233 495684979 /nfs/dbraw/zinc/68/49/79/495684979.db2.gz PXEADFFSNAEMLN-INIZCTEOSA-N 0 3 362.813 3.267 20 5 FGBDHN CC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176681678 495744910 /nfs/dbraw/zinc/74/49/10/495744910.db2.gz GFYPYUJAAFLFDB-GOSISDBHSA-N 0 3 360.458 3.316 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000176711430 495758859 /nfs/dbraw/zinc/75/88/59/495758859.db2.gz MLOSTGGVFIGKIP-HNNXBMFYSA-N 0 3 350.463 3.193 20 5 FGBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000182961010 495776028 /nfs/dbraw/zinc/77/60/28/495776028.db2.gz YUKFLSGTPUKREG-QWHCGFSZSA-N 0 3 369.874 3.035 20 5 FGBDHN CN(C)c1cccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000159865818 495827645 /nfs/dbraw/zinc/82/76/45/495827645.db2.gz DIWYNOHDLQKZHM-UHFFFAOYSA-N 0 3 356.426 3.121 20 5 FGBDHN CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000174234327 495875017 /nfs/dbraw/zinc/87/50/17/495875017.db2.gz SPCPDUQHQXXZSR-YHWZYXNKSA-N 0 3 371.359 3.359 20 5 FGBDHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183277554 495911201 /nfs/dbraw/zinc/91/12/01/495911201.db2.gz URWKCTRJEYXVNI-KRWDZBQOSA-N 0 3 368.437 3.457 20 5 FGBDHN Cc1c2ccccc2oc1[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183276917 495912042 /nfs/dbraw/zinc/91/20/42/495912042.db2.gz MHDPTNUAUPQSHZ-YJBOKZPZSA-N 0 3 372.425 3.194 20 5 FGBDHN COc1ccc([C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000155318515 495918069 /nfs/dbraw/zinc/91/80/69/495918069.db2.gz UWICRNFQJLKAEC-HNNXBMFYSA-N 0 3 370.405 3.459 20 5 FGBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccccc1 ZINC000183334052 495935118 /nfs/dbraw/zinc/93/51/18/495935118.db2.gz NREVBUKQFNCMCK-OLZOCXBDSA-N 0 3 371.393 3.044 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNc1nccc(C(F)(F)F)n1 ZINC000151768274 495941662 /nfs/dbraw/zinc/94/16/62/495941662.db2.gz NVLAIYRWTYXGRA-LLVKDONJSA-N 0 3 369.347 3.475 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186386348 495978069 /nfs/dbraw/zinc/97/80/69/495978069.db2.gz FKBWARLOMWELMW-GOEBONIOSA-N 0 3 369.849 3.370 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180393452 495978987 /nfs/dbraw/zinc/97/89/87/495978987.db2.gz DQCRJTKDMWOPSJ-SWLSCSKDSA-N 0 3 350.802 3.339 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180420244 495990157 /nfs/dbraw/zinc/99/01/57/495990157.db2.gz DTZHOVDWBMIAKH-LRDDRELGSA-N 0 3 350.802 3.339 20 5 FGBDHN Cn1c2ccccc2nc1C(C)(C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000186573627 496052036 /nfs/dbraw/zinc/05/20/36/496052036.db2.gz NFWQGHUNVZVPKK-UHFFFAOYSA-N 0 3 354.410 3.385 20 5 FGBDHN C[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000180589259 496058099 /nfs/dbraw/zinc/05/80/99/496058099.db2.gz JQFJEWANHQXWOS-DYESRHJHSA-N 0 3 369.465 3.242 20 5 FGBDHN CC[C@@](C)(CO)NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000152174769 496069574 /nfs/dbraw/zinc/06/95/74/496069574.db2.gz DUGDZMGXYYFFEQ-FQEVSTJZSA-N 0 3 374.437 3.433 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H](C)c1nccs1 ZINC000183996583 496193102 /nfs/dbraw/zinc/19/31/02/496193102.db2.gz VAVGAURLPOMLLV-ZDUSSCGKSA-N 0 3 362.455 3.424 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCn3cnnc3C3CC3)o2)c1 ZINC000156239613 496195004 /nfs/dbraw/zinc/19/50/04/496195004.db2.gz LBNFQEDUQPHEJL-UHFFFAOYSA-N 0 3 353.382 3.114 20 5 FGBDHN CCOc1cccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000184141675 496256087 /nfs/dbraw/zinc/25/60/87/496256087.db2.gz GILZROMUUHRSBQ-IRXDYDNUSA-N 0 3 371.437 3.041 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000162424739 496350444 /nfs/dbraw/zinc/35/04/44/496350444.db2.gz QKFVNWDSZZQALD-HXUWFJFHSA-N 0 3 368.437 3.083 20 5 FGBDHN CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187253760 496361561 /nfs/dbraw/zinc/36/15/61/496361561.db2.gz HQUIZRNKBKVMSG-KUHUBIRLSA-N 0 3 371.437 3.415 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3nccs3)CC2)c(Cl)c1 ZINC000184663392 496484158 /nfs/dbraw/zinc/48/41/58/496484158.db2.gz IUWNLADGPMONQG-UHFFFAOYSA-N 0 3 352.847 3.463 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173163287 496576342 /nfs/dbraw/zinc/57/63/42/496576342.db2.gz GUCGUCPNYQAMNL-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@H](C(=O)NCc1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184914512 496582809 /nfs/dbraw/zinc/58/28/09/496582809.db2.gz MAZOLLUWWYCNJJ-ZDUSSCGKSA-N 0 3 359.401 3.215 20 5 FGBDHN C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173335842 496648230 /nfs/dbraw/zinc/64/82/30/496648230.db2.gz PCIKGVGGHAYUGX-HNNXBMFYSA-N 0 3 362.451 3.251 20 5 FGBDHN O=C1C[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CN1Cc1ccccc1 ZINC000179062043 496661375 /nfs/dbraw/zinc/66/13/75/496661375.db2.gz QERTVCXSYWGRJL-OAHLLOKOSA-N 0 3 373.840 3.387 20 5 FGBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179129726 496684946 /nfs/dbraw/zinc/68/49/46/496684946.db2.gz KLRFLLLRUYGIII-GDIGMMSISA-N 0 3 368.437 3.400 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000182280467 496725514 /nfs/dbraw/zinc/72/55/14/496725514.db2.gz IJSXEPCDCRCAEA-CYBMUJFWSA-N 0 3 371.393 3.311 20 5 FGBDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191508006 496789654 /nfs/dbraw/zinc/78/96/54/496789654.db2.gz YQPIZOAEYMAYCO-UHFFFAOYSA-N 0 3 373.457 3.013 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273391643 496792817 /nfs/dbraw/zinc/79/28/17/496792817.db2.gz DOKIZGYTZVKGFW-HUUCEWRRSA-N 0 3 362.474 3.336 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247238966 496812517 /nfs/dbraw/zinc/81/25/17/496812517.db2.gz DGIOINRCYMCOOZ-MLGOLLRUSA-N 0 3 374.466 3.131 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247331306 496836721 /nfs/dbraw/zinc/83/67/21/496836721.db2.gz ISCUVVIPXUHSIJ-KCQAQPDRSA-N 0 3 351.472 3.017 20 5 FGBDHN COc1cnccc1[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188781446 496907717 /nfs/dbraw/zinc/90/77/17/496907717.db2.gz SYBQISRTBJOKFE-STQMWFEESA-N 0 3 358.398 3.066 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1cccs1 ZINC000248736262 497092739 /nfs/dbraw/zinc/09/27/39/497092739.db2.gz XEGLTYKZJLBNFS-SJCJKPOMSA-N 0 3 374.466 3.051 20 5 FGBDHN CC(=O)NCCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236648646 497126231 /nfs/dbraw/zinc/12/62/31/497126231.db2.gz YHTCCUSETSPTGA-UHFFFAOYSA-N 0 3 361.373 3.142 20 5 FGBDHN COc1ccc([C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000192476462 497128241 /nfs/dbraw/zinc/12/82/41/497128241.db2.gz OERUDHZPCYXOSO-XLIONFOSSA-N 0 3 372.421 3.084 20 5 FGBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000189522090 497148705 /nfs/dbraw/zinc/14/87/05/497148705.db2.gz QHXCXFQPBBNHHK-ZBFHGGJFSA-N 0 3 367.471 3.196 20 5 FGBDHN CSc1cccc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000249128063 497172186 /nfs/dbraw/zinc/17/21/86/497172186.db2.gz KADRFITUYWUUHB-MJBXVCDLSA-N 0 3 365.499 3.413 20 5 FGBDHN C[C@@H]1CCCCN1CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189681283 497209620 /nfs/dbraw/zinc/20/96/20/497209620.db2.gz OVMIAROXMIQEQW-CQSZACIVSA-N 0 3 369.487 3.065 20 5 FGBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237558194 497254325 /nfs/dbraw/zinc/25/43/25/497254325.db2.gz FJRMPPZJHXEJGX-LSDHHAIUSA-N 0 3 368.437 3.029 20 5 FGBDHN O=C1CC2(CN1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2 ZINC000271190794 497284934 /nfs/dbraw/zinc/28/49/34/497284934.db2.gz OYDCZRILNBFRJD-UHFFFAOYSA-N 0 3 371.462 3.425 20 5 FGBDHN Cc1cc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000193134362 497310390 /nfs/dbraw/zinc/31/03/90/497310390.db2.gz RZAXNUNRYDDOSE-SWLSCSKDSA-N 0 3 350.440 3.364 20 5 FGBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000193627221 497431969 /nfs/dbraw/zinc/43/19/69/497431969.db2.gz OWFHCIUTOCSTSD-INIZCTEOSA-N 0 3 354.410 3.238 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](O)COCc1ccccc1 ZINC000245522467 497439875 /nfs/dbraw/zinc/43/98/75/497439875.db2.gz LWEYRUBWXKLLOG-VQIMIIECSA-N 0 3 358.438 3.474 20 5 FGBDHN CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000271767971 497442816 /nfs/dbraw/zinc/44/28/16/497442816.db2.gz HYBQGBCHWIELSI-RDTXWAMCSA-N 0 3 372.421 3.196 20 5 FGBDHN Cc1sc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193807060 497489066 /nfs/dbraw/zinc/48/90/66/497489066.db2.gz MABDBXJKGYRDHY-OAHLLOKOSA-N 0 3 359.451 3.217 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000245671626 497494709 /nfs/dbraw/zinc/49/47/09/497494709.db2.gz DAIVTKUZLAYOMA-UPJWGTAASA-N 0 3 353.850 3.344 20 5 FGBDHN COc1cc(CNCC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272785255 497729435 /nfs/dbraw/zinc/72/94/35/497729435.db2.gz GOGHVPGOYBCNGR-ZDUSSCGKSA-N 0 3 374.384 3.296 20 5 FGBDHN O=C(CCCc1ccccc1)NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581262680 505946646 /nfs/dbraw/zinc/94/66/46/505946646.db2.gz ZXNCDGXURXCCPG-IBGZPJMESA-N 0 3 367.449 3.311 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(CN2CCOCC2)CC1 ZINC000301123548 497962153 /nfs/dbraw/zinc/96/21/53/497962153.db2.gz YJBFLVXTRMCBIL-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@H](CO)c2ccccc21 ZINC000364455443 497966459 /nfs/dbraw/zinc/96/64/59/497966459.db2.gz OLWFVALLDMCVJO-TYILLQQXSA-N 0 3 369.421 3.122 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000364633159 498060059 /nfs/dbraw/zinc/06/00/59/498060059.db2.gz JQMDVEWUDOHFFT-YGRLFVJLSA-N 0 3 351.453 3.141 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000569624443 505978488 /nfs/dbraw/zinc/97/84/88/505978488.db2.gz ZJOCPDQKTVMGPG-CTNGQTDRSA-N 0 3 367.449 3.245 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC=C(c2cccnc2)C1 ZINC000289358045 498118733 /nfs/dbraw/zinc/11/87/33/498118733.db2.gz NVNTWQQGNBSNDQ-UHFFFAOYSA-N 0 3 366.421 3.416 20 5 FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289521922 498177607 /nfs/dbraw/zinc/17/76/07/498177607.db2.gz CHVKCOYTZJFOAC-NWDGAFQWSA-N 0 3 352.822 3.339 20 5 FGBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364996541 498246080 /nfs/dbraw/zinc/24/60/80/498246080.db2.gz AUHTUCLKENTHTJ-WMZOPIPTSA-N 0 3 371.437 3.129 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301864594 498301624 /nfs/dbraw/zinc/30/16/24/498301624.db2.gz GPZXYGJJHVXMQC-HZPDHXFCSA-N 0 3 361.829 3.296 20 5 FGBDHN C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000301960173 498345561 /nfs/dbraw/zinc/34/55/61/498345561.db2.gz MFNRXHVIQDYLDE-HOCLYGCPSA-N 0 3 366.425 3.103 20 5 FGBDHN Cc1cc(NCc2ccc(OC3CCN(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000286335522 498367532 /nfs/dbraw/zinc/36/75/32/498367532.db2.gz GNCQNKQLWMAURJ-UHFFFAOYSA-N 0 3 356.426 3.383 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000302032852 498377183 /nfs/dbraw/zinc/37/71/83/498377183.db2.gz CXIZQYXTXQFUTI-INIZCTEOSA-N 0 3 361.829 3.427 20 5 FGBDHN O=C(CCN[C@H](c1ccccc1)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000572713981 506034294 /nfs/dbraw/zinc/03/42/94/506034294.db2.gz QWFULBQHNRUJLP-AZUAARDMSA-N 0 3 369.421 3.433 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000297449344 498453250 /nfs/dbraw/zinc/45/32/50/498453250.db2.gz MAIKXZKUMISXPX-MRXNPFEDSA-N 0 3 352.822 3.198 20 5 FGBDHN CC(C)c1nccn1[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781608 498553056 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COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2C[C@@H]1C ZINC000411318917 499725408 /nfs/dbraw/zinc/72/54/08/499725408.db2.gz ZRTGENUYHRVEIX-AWEZNQCLSA-N 0 3 369.421 3.379 20 5 FGBDHN NC(=O)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000377848735 499741866 /nfs/dbraw/zinc/74/18/66/499741866.db2.gz ZQLOVIPPFUCSJC-NSHDSACASA-N 0 3 363.801 3.206 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](CO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000414202354 499767982 /nfs/dbraw/zinc/76/79/82/499767982.db2.gz ZASIEUDLRXRJOH-YOEHRIQHSA-N 0 3 374.437 3.429 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCCC(F)(F)[C@@H]3O)o2)c1 ZINC000414530220 499803949 /nfs/dbraw/zinc/80/39/49/499803949.db2.gz DKCMCIAZYNLFQP-GOEBONIOSA-N 0 3 352.337 3.493 20 5 FGBDHN O=[N+]([O-])c1cccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000412011294 499812396 /nfs/dbraw/zinc/81/23/96/499812396.db2.gz TZYVSEDXHDPVPZ-IBGZPJMESA-N 0 3 356.422 3.215 20 5 FGBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1occc1C ZINC000412028415 499814178 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20 5 FGBDHN Cc1ccc([C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])N2CCOCC2)o1 ZINC000514799780 503196312 /nfs/dbraw/zinc/19/63/12/503196312.db2.gz YSVMLRLBDQPUBW-HKUYNNGSSA-N 0 3 371.437 3.147 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000599186438 506364870 /nfs/dbraw/zinc/36/48/70/506364870.db2.gz GSWFXBQPMIQCSG-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN CNC(=O)CCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507932681 503399118 /nfs/dbraw/zinc/39/91/18/503399118.db2.gz PZBBHOKUTIWWKL-UHFFFAOYSA-N 0 3 361.373 3.142 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000503422990 503406545 /nfs/dbraw/zinc/40/65/45/503406545.db2.gz ZUIUTEKKCMRSOP-HIFRSBDPSA-N 0 3 363.483 3.406 20 5 FGBDHN Cc1c(CC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000516802897 503590354 /nfs/dbraw/zinc/59/03/54/503590354.db2.gz HULOBQVZZATJDH-KRWDZBQOSA-N 0 3 359.401 3.004 20 5 FGBDHN COc1ccc2c(c1)CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000532949860 503670959 /nfs/dbraw/zinc/67/09/59/503670959.db2.gz ZTMRJWHZWCKITQ-UHFFFAOYSA-N 0 3 369.421 3.380 20 5 FGBDHN CCc1nn(C)c(NC[C@H](c2ccsc2)N(CC)CC)c1[N+](=O)[O-] ZINC000536688001 503682163 /nfs/dbraw/zinc/68/21/63/503682163.db2.gz QZPBIDIGXYDQSI-CQSZACIVSA-N 0 3 351.476 3.447 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)c1c(F)cccc1F ZINC000536863982 503743305 /nfs/dbraw/zinc/74/33/05/503743305.db2.gz MFCASHJZNPIAPC-LBPRGKRZSA-N 0 3 363.364 3.262 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000537210578 503843215 /nfs/dbraw/zinc/84/32/15/503843215.db2.gz KNYYGDHEHZGDNU-SOUVJXGZSA-N 0 3 363.458 3.090 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000537275037 503865717 /nfs/dbraw/zinc/86/57/17/503865717.db2.gz GSXGAUKHEWRIRC-UHFFFAOYSA-N 0 3 371.437 3.267 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(N(CCN(C)C)Cc2ccc(F)cc2F)n1 ZINC000543790644 503895118 /nfs/dbraw/zinc/89/51/18/503895118.db2.gz VXOVCXXSPCFYPT-UHFFFAOYSA-N 0 3 364.396 3.453 20 5 FGBDHN CCN(CC)[C@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000543902922 503934747 /nfs/dbraw/zinc/93/47/47/503934747.db2.gz JSKWPNAYLZYXPN-MRXNPFEDSA-N 0 3 361.398 3.469 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000533808699 503958269 /nfs/dbraw/zinc/95/82/69/503958269.db2.gz LLXYAHHQNGLCTK-KRWDZBQOSA-N 0 3 367.405 3.244 20 5 FGBDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544143198 504025712 /nfs/dbraw/zinc/02/57/12/504025712.db2.gz VMOKHIYQMHXFIA-GOSISDBHSA-N 0 3 373.453 3.090 20 5 FGBDHN C[C@]1(c2ccccc2)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541349764 504101271 /nfs/dbraw/zinc/10/12/71/504101271.db2.gz RRICPOUNFMIOFT-RXVVDRJESA-N 0 3 370.449 3.388 20 5 FGBDHN CCc1ccc([C@@H](NCCc2n[nH]c(C)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544384226 504111175 /nfs/dbraw/zinc/11/11/75/504111175.db2.gz ICGVYGLAFGOIDM-SFHVURJKSA-N 0 3 355.398 3.098 20 5 FGBDHN CCc1ccc([C@@H](NCCc2nnc(C)[nH]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544384226 504111179 /nfs/dbraw/zinc/11/11/79/504111179.db2.gz ICGVYGLAFGOIDM-SFHVURJKSA-N 0 3 355.398 3.098 20 5 FGBDHN CC1CCC(N2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CC1 ZINC000541577775 504185337 /nfs/dbraw/zinc/18/53/37/504185337.db2.gz BELZKERHLNBRCP-UHFFFAOYSA-N 0 3 355.442 3.239 20 5 FGBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000544623691 504194821 /nfs/dbraw/zinc/19/48/21/504194821.db2.gz BKHBACRKOCZFSH-DLBZAZTESA-N 0 3 358.373 3.301 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN(CC2CCCCC2)CC1 ZINC000541780540 504251795 /nfs/dbraw/zinc/25/17/95/504251795.db2.gz NDOTZHDMOBUDDY-UHFFFAOYSA-N 0 3 364.421 3.464 20 5 FGBDHN CC1CCC(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000541787331 504254988 /nfs/dbraw/zinc/25/49/88/504254988.db2.gz NWBZCAVOHWVPQE-UHFFFAOYSA-N 0 3 364.421 3.462 20 5 FGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000545120151 504364593 /nfs/dbraw/zinc/36/45/93/504364593.db2.gz QJETVZSSGIRWNL-KBPBESRZSA-N 0 3 365.449 3.391 20 5 FGBDHN Cc1ccc(CNCCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000531863907 504449672 /nfs/dbraw/zinc/44/96/72/504449672.db2.gz VASQXIOSJYLEPW-UHFFFAOYSA-N 0 3 355.316 3.486 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000539080824 504467012 /nfs/dbraw/zinc/46/70/12/504467012.db2.gz RMHNPTGSILHSRV-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000520759667 504576071 /nfs/dbraw/zinc/57/60/71/504576071.db2.gz DUZWVTLLDJIMBY-HOTGVXAUSA-N 0 3 362.474 3.166 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1Cl ZINC000548927882 504623915 /nfs/dbraw/zinc/62/39/15/504623915.db2.gz ICCUTRMKEUAKFN-INIZCTEOSA-N 0 3 364.829 3.162 20 5 FGBDHN CC(C)(C)N1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@H](C(F)(F)F)C1 ZINC000521012922 504630473 /nfs/dbraw/zinc/63/04/73/504630473.db2.gz DKUCADWBRUIKLL-CHWSQXEVSA-N 0 3 373.375 3.120 20 5 FGBDHN CC(C)c1ccc([C@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000536180129 504658191 /nfs/dbraw/zinc/65/81/91/504658191.db2.gz LERZWLIRTSQYEE-RTBURBONSA-N 0 3 358.442 3.113 20 5 FGBDHN CN1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccccc1 ZINC000536262999 504683108 /nfs/dbraw/zinc/68/31/08/504683108.db2.gz JEXOJGPTIZCRMH-MJGOQNOKSA-N 0 3 364.405 3.251 20 5 FGBDHN COc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000536430491 504732287 /nfs/dbraw/zinc/73/22/87/504732287.db2.gz WKJYXINAKVIWJT-STQMWFEESA-N 0 3 355.410 3.044 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000553062774 504817691 /nfs/dbraw/zinc/81/76/91/504817691.db2.gz JEMXOFJBHYTETM-LJQANCHMSA-N 0 3 359.470 3.393 20 5 FGBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000556515870 504894255 /nfs/dbraw/zinc/89/42/55/504894255.db2.gz SHLWFVQDEZHNCL-KBXCAEBGSA-N 0 3 372.421 3.113 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000556518398 504895017 /nfs/dbraw/zinc/89/50/17/504895017.db2.gz ZBGFKRBGEQOYKN-YOEHRIQHSA-N 0 3 372.421 3.113 20 5 FGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559610771 504895488 /nfs/dbraw/zinc/89/54/88/504895488.db2.gz RMYYOHCZTHTOIC-LLVKDONJSA-N 0 3 371.359 3.360 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccnc(OC(F)F)c2)n1 ZINC000556608729 504919339 /nfs/dbraw/zinc/91/93/39/504919339.db2.gz NNUQVBZAGSQTTB-OLZOCXBDSA-N 0 3 367.356 3.061 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccnc(OC(F)F)c2)n1 ZINC000556608727 504919548 /nfs/dbraw/zinc/91/95/48/504919548.db2.gz NNUQVBZAGSQTTB-CHWSQXEVSA-N 0 3 367.356 3.061 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000565966099 505040944 /nfs/dbraw/zinc/04/09/44/505040944.db2.gz PMRZAYBEYVRDFK-LIRRHRJNSA-N 0 3 371.437 3.126 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H](c2ccco2)N2CCCC2)s1 ZINC000557477469 505145170 /nfs/dbraw/zinc/14/51/70/505145170.db2.gz QODQQNWTADRXBT-LBPRGKRZSA-N 0 3 359.411 3.442 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CO)c2cccnc2)c2ccccc2)c1 ZINC000554403771 505166663 /nfs/dbraw/zinc/16/66/63/505166663.db2.gz DLTFRPQKFWIIBA-PZJWPPBQSA-N 0 3 363.417 3.445 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563600018 505188037 /nfs/dbraw/zinc/18/80/37/505188037.db2.gz BCPXAHTYRWROIT-KRWDZBQOSA-N 0 3 374.485 3.173 20 5 FGBDHN CCc1nn(C)c(Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000554676698 505237302 /nfs/dbraw/zinc/23/73/02/505237302.db2.gz LZUQRVZMIICRCQ-UHFFFAOYSA-N 0 3 361.471 3.183 20 5 FGBDHN Cn1cc(-c2ccc(CNCCOc3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000554692784 505240986 /nfs/dbraw/zinc/24/09/86/505240986.db2.gz SILCIHJLSWTELU-UHFFFAOYSA-N 0 3 358.423 3.225 20 5 FGBDHN CC(C)(C)[C@@H](O)C[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551573151 505257651 /nfs/dbraw/zinc/25/76/51/505257651.db2.gz MLVITCWTNMXMJY-DQYPLSBCSA-N 0 3 350.459 3.065 20 5 FGBDHN Cc1cccc(C)c1OC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845949 505279463 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FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000593136152 506416816 /nfs/dbraw/zinc/41/68/16/506416816.db2.gz LQCGITFVTUODNJ-JLTOFOAXSA-N 0 3 373.428 3.392 20 5 FGBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000596526057 506446689 /nfs/dbraw/zinc/44/66/89/506446689.db2.gz PTPIFLOHNFOEDM-HNNXBMFYSA-N 0 3 358.467 3.187 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H]1CCc3ccccc3N1)OCCO2 ZINC000593319331 506536910 /nfs/dbraw/zinc/53/69/10/506536910.db2.gz VGXJMLKULGXLER-MRXNPFEDSA-N 0 3 369.421 3.273 20 5 FGBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000603661725 506588813 /nfs/dbraw/zinc/58/88/13/506588813.db2.gz UEBOIXOZAPMCCM-QGZVFWFLSA-N 0 3 358.394 3.136 20 5 FGBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000603838825 506631109 /nfs/dbraw/zinc/63/11/09/506631109.db2.gz MRNHJLGFHXTGDR-OAHLLOKOSA-N 0 3 358.394 3.136 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834413 506666576 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CCN1CCN(Cc2ccccc2CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610514703 507273296 /nfs/dbraw/zinc/27/32/96/507273296.db2.gz DAJXCIZBQQDTGJ-UHFFFAOYSA-N 0 3 360.483 3.406 20 5 FGBDHN CO[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000594995177 507346994 /nfs/dbraw/zinc/34/69/94/507346994.db2.gz QCRPBCLSMLXKCZ-GOSISDBHSA-N 0 3 358.442 3.290 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(OCCN(C)C)c1 ZINC000595008155 507351855 /nfs/dbraw/zinc/35/18/55/507351855.db2.gz BIBGTROIJZWELI-HNNXBMFYSA-N 0 3 373.453 3.395 20 5 FGBDHN CCCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000591963175 507431417 /nfs/dbraw/zinc/43/14/17/507431417.db2.gz QZPMQCPYRKUIIF-GOSISDBHSA-N 0 3 362.474 3.043 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3cccc(F)c3)CCC2)c1 ZINC000592145143 507507808 /nfs/dbraw/zinc/50/78/08/507507808.db2.gz PAZSCOHTSFARDB-QGZVFWFLSA-N 0 3 360.385 3.143 20 5 FGBDHN Cc1cccc(C2(NC[C@H](O)COc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000592146011 507511126 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20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCCC2)OC[C@@H]1C ZINC000595816451 507699314 /nfs/dbraw/zinc/69/93/14/507699314.db2.gz XFOAYDAYPQQGCG-HNNXBMFYSA-N 0 3 361.442 3.265 20 5 FGBDHN Cc1nccn1C[C@@H](C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512306 507732671 /nfs/dbraw/zinc/73/26/71/507732671.db2.gz XJQMWWPMBULERO-VIFPVBQESA-N 0 3 373.276 3.350 20 5 FGBDHN CC[C@@H](C[C@H](C)CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556407 507747937 /nfs/dbraw/zinc/74/79/37/507747937.db2.gz FUBAUQQRGXEYLL-IUCAKERBSA-N 0 3 351.266 3.306 20 5 FGBDHN CN(CCCN(C)c1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000588083399 507754706 /nfs/dbraw/zinc/75/47/06/507754706.db2.gz MRUWVUGVBABFTR-UHFFFAOYSA-N 0 3 355.398 3.089 20 5 FGBDHN O=C(CCN1CCS[C@@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000128868699 700780643 /nfs/dbraw/zinc/78/06/43/700780643.db2.gz NQQBHIGCTHLPKE-JKSUJKDBSA-N 0 3 367.446 3.423 20 5 FGBDHN CC(C)[C@@H]1CN(C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000153653392 705007613 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FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCCO)Cc2cccc(Cl)c2)cc1 ZINC000776592666 724162929 /nfs/dbraw/zinc/16/29/29/724162929.db2.gz XFTWOYWULATHHU-SFHVURJKSA-N 0 3 364.829 3.166 20 5 FGBDHN CCOC(=O)c1csc(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000787418710 725027665 /nfs/dbraw/zinc/02/76/65/725027665.db2.gz WUODCTSEKOJWSI-UHFFFAOYSA-N 0 3 369.830 3.214 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916294 725275754 /nfs/dbraw/zinc/27/57/54/725275754.db2.gz YYMVMXCRJMAKDO-UHFFFAOYSA-N 0 3 354.838 3.492 20 5 FGBDHN CC(COC(=O)c1ccc(Br)cc1C(F)(F)F)[N+](=O)[O-] ZINC000813110541 726840352 /nfs/dbraw/zinc/84/03/52/726840352.db2.gz CYEKZLMJGRSHPB-ZCFIWIBFSA-N 0 3 356.094 3.290 20 5 FGBDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000813788377 726914376 /nfs/dbraw/zinc/91/43/76/726914376.db2.gz JARLEZVFAHJOOT-KBPBESRZSA-N 0 3 353.394 3.032 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206617 727052248 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COc1cc(CNC2CCC(OC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000130265837 495365060 /nfs/dbraw/zinc/36/50/60/495365060.db2.gz BSWMZASKBFTJRL-UHFFFAOYSA-N 0 3 352.431 3.438 20 5 FGBDHN O=c1[nH]c(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccccc21 ZINC000130294599 495369339 /nfs/dbraw/zinc/36/93/39/495369339.db2.gz LGLBTKGOIKOMTR-UHFFFAOYSA-N 0 3 364.405 3.038 20 5 FGBDHN Nc1ccc(F)c(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130303390 495370626 /nfs/dbraw/zinc/37/06/26/495370626.db2.gz ARJXWPIEIYQTEN-UHFFFAOYSA-N 0 3 372.400 3.309 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000120516660 495395753 /nfs/dbraw/zinc/39/57/53/495395753.db2.gz WEZUBKNYOPQNAG-RBUKOAKNSA-N 0 3 374.462 3.294 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000136995282 495416751 /nfs/dbraw/zinc/41/67/51/495416751.db2.gz XBYMLINICOSPBG-OAHLLOKOSA-N 0 3 363.483 3.407 20 5 FGBDHN COc1cc(CNCC[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000114772039 495423412 /nfs/dbraw/zinc/42/34/12/495423412.db2.gz HKTNLQYSKUKORQ-AWEZNQCLSA-N 0 3 360.410 3.043 20 5 FGBDHN COC(=O)[C@@](C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000577746797 505784370 /nfs/dbraw/zinc/78/43/70/505784370.db2.gz HEPFCLCMROHPFQ-XLIONFOSSA-N 0 3 372.396 3.442 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000158703671 495571703 /nfs/dbraw/zinc/57/17/03/495571703.db2.gz JFAMTRPNLGTGLA-FXAWDEMLSA-N 0 3 369.465 3.455 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000179422477 495585767 /nfs/dbraw/zinc/58/57/67/495585767.db2.gz RBPPRRFIYYGYAI-UGSOOPFHSA-N 0 3 360.410 3.386 20 5 FGBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000154562893 495655286 /nfs/dbraw/zinc/65/52/86/495655286.db2.gz AUNJQRBLMLYPSV-HXUWFJFHSA-N 0 3 373.428 3.368 20 5 FGBDHN COc1cc(CN[C@@H](C)C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182812818 495712722 /nfs/dbraw/zinc/71/27/22/495712722.db2.gz WJXLKXZFXOGDSK-NSHDSACASA-N 0 3 374.384 3.152 20 5 FGBDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179960175 495801679 /nfs/dbraw/zinc/80/16/79/495801679.db2.gz CLFSDSRSSBQUCM-GFCCVEGCSA-N 0 3 361.373 3.422 20 5 FGBDHN COc1ccc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000574582750 505807095 /nfs/dbraw/zinc/80/70/95/505807095.db2.gz MRVHXCAHAQAFQU-OAHLLOKOSA-N 0 3 355.394 3.064 20 5 FGBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000183154466 495857902 /nfs/dbraw/zinc/85/79/02/495857902.db2.gz PAEVLXVLYMSLMW-LIRRHRJNSA-N 0 3 352.394 3.165 20 5 FGBDHN CN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000180119774 495865512 /nfs/dbraw/zinc/86/55/12/495865512.db2.gz AXBPXOSGNQNRCC-MJGOQNOKSA-N 0 3 373.840 3.352 20 5 FGBDHN CCOC(=O)CCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243417 495878497 /nfs/dbraw/zinc/87/84/97/495878497.db2.gz WCZUVBCUUBNALG-UHFFFAOYSA-N 0 3 350.415 3.171 20 5 FGBDHN O=C(CN[C@@H](Cc1ccccc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183390047 495960613 /nfs/dbraw/zinc/96/06/13/495960613.db2.gz VRWSHHZMLRIDRB-IBGZPJMESA-N 0 3 365.433 3.095 20 5 FGBDHN C[C@@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180415106 495986838 /nfs/dbraw/zinc/98/68/38/495986838.db2.gz NPUOKMSEFQRVMD-ACJLOTCBSA-N 0 3 364.829 3.477 20 5 FGBDHN CSc1cccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000186478501 496013450 /nfs/dbraw/zinc/01/34/50/496013450.db2.gz ADRWYOCBIPFUJL-CQSZACIVSA-N 0 3 371.462 3.450 20 5 FGBDHN COc1cc(CNCC(C)(C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174596108 496026534 /nfs/dbraw/zinc/02/65/34/496026534.db2.gz QCVPDFHYTGDZQC-UHFFFAOYSA-N 0 3 366.336 3.059 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1O ZINC000174626029 496037778 /nfs/dbraw/zinc/03/77/78/496037778.db2.gz FGDZQBCNTLAOOH-UHFFFAOYSA-N 0 3 373.409 3.078 20 5 FGBDHN Nc1ccc(F)c(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155703360 496040180 /nfs/dbraw/zinc/04/01/80/496040180.db2.gz HKGGPOJZLXKRPD-UHFFFAOYSA-N 0 3 372.400 3.309 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000180553428 496042141 /nfs/dbraw/zinc/04/21/41/496042141.db2.gz CMYVOOFNIBNTOD-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160843513 496053310 /nfs/dbraw/zinc/05/33/10/496053310.db2.gz NMRYOMMRTIBCBU-UHFFFAOYSA-N 0 3 357.385 3.128 20 5 FGBDHN CC[C@H](NCc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000160949369 496073701 /nfs/dbraw/zinc/07/37/01/496073701.db2.gz DQURZJFNTHUZTD-SFHVURJKSA-N 0 3 362.451 3.380 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000161063185 496095443 /nfs/dbraw/zinc/09/54/43/496095443.db2.gz JRLKEAOHHVEMER-IBGZPJMESA-N 0 3 370.453 3.048 20 5 FGBDHN C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000161216268 496129301 /nfs/dbraw/zinc/12/93/01/496129301.db2.gz NTEZIDJAQLLBQJ-INIZCTEOSA-N 0 3 369.465 3.402 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180751563 496131567 /nfs/dbraw/zinc/13/15/67/496131567.db2.gz YNUHHGMFDSDRFF-CYBMUJFWSA-N 0 3 356.426 3.036 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000174937818 496173747 /nfs/dbraw/zinc/17/37/47/496173747.db2.gz GMAUJTYLSOZRMY-KRWDZBQOSA-N 0 3 353.422 3.189 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174949276 496178119 /nfs/dbraw/zinc/17/81/19/496178119.db2.gz QUESMKGRNXOEHF-GOSISDBHSA-N 0 3 367.449 3.497 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nncn1-c1ccccc1)C1CC1 ZINC000152624559 496206716 /nfs/dbraw/zinc/20/67/16/496206716.db2.gz FKFXTFQQXOQYIC-SFHVURJKSA-N 0 3 363.421 3.286 20 5 FGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCC(F)(F)F)cc1 ZINC000180941518 496209484 /nfs/dbraw/zinc/20/94/84/496209484.db2.gz FKLOUFPCWCXGHW-NSHDSACASA-N 0 3 358.320 3.083 20 5 FGBDHN CCOc1ccc([C@@H](C)NC2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000152911716 496294469 /nfs/dbraw/zinc/29/44/69/496294469.db2.gz ODORMVLUXRDPMH-CQSZACIVSA-N 0 3 371.441 3.103 20 5 FGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccn1 ZINC000153061017 496340551 /nfs/dbraw/zinc/34/05/51/496340551.db2.gz HBIJALQIBCTWJN-UHFFFAOYSA-N 0 3 352.394 3.362 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000153112015 496357836 /nfs/dbraw/zinc/35/78/36/496357836.db2.gz GWSSTALZUPQAIL-GUYCJALGSA-N 0 3 360.410 3.386 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000153174439 496375380 /nfs/dbraw/zinc/37/53/80/496375380.db2.gz AFNCRAQXHIHPQN-DOTOQJQBSA-N 0 3 374.437 3.392 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000157001026 496382338 /nfs/dbraw/zinc/38/23/38/496382338.db2.gz NZYCQMFEORMRLL-CQSZACIVSA-N 0 3 364.833 3.236 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](O)C3)o2)c(Br)c1 ZINC000157665883 496525134 /nfs/dbraw/zinc/52/51/34/496525134.db2.gz XXECGOKRVIROJM-NSHDSACASA-N 0 3 367.199 3.184 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000163509419 496525502 /nfs/dbraw/zinc/52/55/02/496525502.db2.gz UTRPBBMLAMCVHG-HNNXBMFYSA-N 0 3 360.458 3.001 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000173028561 496526108 /nfs/dbraw/zinc/52/61/08/496526108.db2.gz MPPCVYSXQDTIIW-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178639952 496526558 /nfs/dbraw/zinc/52/65/58/496526558.db2.gz HMPNRHJLMHIFRC-INIZCTEOSA-N 0 3 355.438 3.278 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173127749 496560664 /nfs/dbraw/zinc/56/06/64/496560664.db2.gz CDAQICNATZYRED-UHFFFAOYSA-N 0 3 367.449 3.227 20 5 FGBDHN CCOc1ccc([C@H](C)NCC2(C(=O)N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000153770471 496573696 /nfs/dbraw/zinc/57/36/96/496573696.db2.gz ZNHURPFNTJISBC-AWEZNQCLSA-N 0 3 363.458 3.293 20 5 FGBDHN Cc1cc(NC(=O)NCc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000153781857 496578043 /nfs/dbraw/zinc/57/80/43/496578043.db2.gz KCMXSMURQSMDRU-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN CN(CCC(=O)c1ccc2c(c1)OCCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000569123576 505858253 /nfs/dbraw/zinc/85/82/53/505858253.db2.gz PHGOLNIZUHVVMX-UHFFFAOYSA-N 0 3 370.405 3.113 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000188080802 496675987 /nfs/dbraw/zinc/67/59/87/496675987.db2.gz KADRFITUYWUUHB-MELADBBJSA-N 0 3 365.499 3.413 20 5 FGBDHN C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000154133750 496692124 /nfs/dbraw/zinc/69/21/24/496692124.db2.gz MUAAQWYFWBXEEN-LDQXTDLNSA-N 0 3 369.465 3.128 20 5 FGBDHN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182356728 496731353 /nfs/dbraw/zinc/73/13/53/496731353.db2.gz CVTXTZMIZBFAIY-JSGCOSHPSA-N 0 3 374.384 3.295 20 5 FGBDHN CCC[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000268756669 496776194 /nfs/dbraw/zinc/77/61/94/496776194.db2.gz LUNHXUKUVNPTAM-LJQANCHMSA-N 0 3 370.453 3.457 20 5 FGBDHN COC(=O)[C@](C)(CNC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191578422 496819349 /nfs/dbraw/zinc/81/93/49/496819349.db2.gz CKTVMHQOPPDOAU-CSNYQSHPSA-N 0 3 354.406 3.329 20 5 FGBDHN COc1ccc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000268953301 496833382 /nfs/dbraw/zinc/83/33/82/496833382.db2.gz SYZWRESVLOBEBP-CYBMUJFWSA-N 0 3 357.410 3.455 20 5 FGBDHN COc1cnccc1[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188781492 496906972 /nfs/dbraw/zinc/90/69/72/496906972.db2.gz SYBQISRTBJOKFE-QWHCGFSZSA-N 0 3 358.398 3.066 20 5 FGBDHN Cc1cccc(C[C@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000189021639 496981485 /nfs/dbraw/zinc/98/14/85/496981485.db2.gz IKNATAXPGSNLDF-OAHLLOKOSA-N 0 3 366.364 3.198 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000192140459 497010010 /nfs/dbraw/zinc/01/00/10/497010010.db2.gz MFPBTLAPHSAWLR-MSOLQXFVSA-N 0 3 364.348 3.372 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356376 497086538 /nfs/dbraw/zinc/08/65/38/497086538.db2.gz FJHMKYVYMAMXTB-OAQYLSRUSA-N 0 3 369.465 3.284 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248776447 497102845 /nfs/dbraw/zinc/10/28/45/497102845.db2.gz HPNNPBBCLXFYRR-BEFAXECRSA-N 0 3 353.422 3.154 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(CCCc2ccccc2)CC1 ZINC000192556232 497148031 /nfs/dbraw/zinc/14/80/31/497148031.db2.gz XDCKXXXFHONCOC-UHFFFAOYSA-N 0 3 371.485 3.265 20 5 FGBDHN COc1cc(CNCC2(O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237131313 497195512 /nfs/dbraw/zinc/19/55/12/497195512.db2.gz FSKOXPFGIDKKJJ-UHFFFAOYSA-N 0 3 372.421 3.187 20 5 FGBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000278771895 497214754 /nfs/dbraw/zinc/21/47/54/497214754.db2.gz YGYMQWUSJHDNNL-PIGZYNQJSA-N 0 3 366.801 3.138 20 5 FGBDHN Cc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000189765214 497237220 /nfs/dbraw/zinc/23/72/20/497237220.db2.gz GXJPLEWNLCGMRI-SJLPKXTDSA-N 0 3 354.410 3.470 20 5 FGBDHN CN(C)C1(CN(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000189916990 497292470 /nfs/dbraw/zinc/29/24/70/497292470.db2.gz KHBOFTIGKZOXIS-UHFFFAOYSA-N 0 3 362.474 3.043 20 5 FGBDHN O=C1c2ccccc2CCN1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193336517 497354364 /nfs/dbraw/zinc/35/43/64/497354364.db2.gz IGQHAYOUIRDQMA-HXUWFJFHSA-N 0 3 365.433 3.260 20 5 FGBDHN CSc1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255958502 497381627 /nfs/dbraw/zinc/38/16/27/497381627.db2.gz ZIOBOEFCZFCKMB-QWHCGFSZSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1ccc(OCCN[C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271739282 497434613 /nfs/dbraw/zinc/43/46/13/497434613.db2.gz BVCXQJAURZSXAD-KRWDZBQOSA-N 0 3 360.410 3.086 20 5 FGBDHN CCN(Cc1c[nH]c2ccccc12)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000190450314 497483562 /nfs/dbraw/zinc/48/35/62/497483562.db2.gz KUCLGFHVASAJRE-QGZVFWFLSA-N 0 3 369.421 3.338 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(C)n(C)c1=O ZINC000279614473 497486628 /nfs/dbraw/zinc/48/66/28/497486628.db2.gz XRXVUKBYFIJLAG-OAHLLOKOSA-N 0 3 361.467 3.262 20 5 FGBDHN CC(=O)N1CCC[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000279613853 497487138 /nfs/dbraw/zinc/48/71/38/497487138.db2.gz ACJWUUOXDSDLOE-HNNXBMFYSA-N 0 3 357.410 3.203 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381298 497539072 /nfs/dbraw/zinc/53/90/72/497539072.db2.gz GYBVAPRDPMIZEZ-OXQOHEQNSA-N 0 3 367.449 3.164 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CC(C)C)C2CCN(C)CC2)c1F ZINC000277308555 497799399 /nfs/dbraw/zinc/79/93/99/497799399.db2.gz BJZFAVFWNKMYGZ-UHFFFAOYSA-N 0 3 351.422 3.235 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334009738 497846283 /nfs/dbraw/zinc/84/62/83/497846283.db2.gz NQJWJFIJTQBHTQ-STQMWFEESA-N 0 3 351.472 3.308 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccccc2)CC1 ZINC000301084205 497943419 /nfs/dbraw/zinc/94/34/19/497943419.db2.gz KUOXNDHFVPDXTL-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCN(C)CC1 ZINC000301104308 497952954 /nfs/dbraw/zinc/95/29/54/497952954.db2.gz SRSISAGJIBYVOK-MRXNPFEDSA-N 0 3 374.407 3.298 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000301167735 497981943 /nfs/dbraw/zinc/98/19/43/497981943.db2.gz WBURUOISXHAPKQ-QGZVFWFLSA-N 0 3 372.425 3.105 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000301297755 498044488 /nfs/dbraw/zinc/04/44/88/498044488.db2.gz WFGKAWSKPJBBOA-SFHVURJKSA-N 0 3 368.437 3.203 20 5 FGBDHN CCc1cc(N(C)[C@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301364910 498075703 /nfs/dbraw/zinc/07/57/03/498075703.db2.gz RXLGSUTZFJPDMA-KRWDZBQOSA-N 0 3 355.442 3.145 20 5 FGBDHN CS[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000330500029 498142664 /nfs/dbraw/zinc/14/26/64/498142664.db2.gz MLKZKCVQNHGROD-CVEARBPZSA-N 0 3 365.499 3.010 20 5 FGBDHN C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000289488364 498165331 /nfs/dbraw/zinc/16/53/31/498165331.db2.gz RHHOSSGDXDSJSF-NUTKFTJISA-N 0 3 354.362 3.076 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289512922 498174753 /nfs/dbraw/zinc/17/47/53/498174753.db2.gz KXDWWWLHDNETHC-PKOBYXMFSA-N 0 3 373.453 3.265 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000301682811 498222334 /nfs/dbraw/zinc/22/23/34/498222334.db2.gz KJBWHNALDFDDJU-QWRGUYRKSA-N 0 3 357.252 3.285 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)o1 ZINC000360063123 498241798 /nfs/dbraw/zinc/24/17/98/498241798.db2.gz XVVHPOBBYYHTCO-AUUYWEPGSA-N 0 3 358.394 3.283 20 5 FGBDHN O=C(CN[C@@H]1CCCC12CCOCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281880844 498302813 /nfs/dbraw/zinc/30/28/13/498302813.db2.gz AHNDFTSIPSVUKY-OAHLLOKOSA-N 0 3 367.833 3.126 20 5 FGBDHN CC(C)(C)Oc1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301867211 498303030 /nfs/dbraw/zinc/30/30/30/498303030.db2.gz DRUNVYXCBCOXEC-INIZCTEOSA-N 0 3 363.458 3.437 20 5 FGBDHN CC(C)N1CCN(C2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000293212132 498308324 /nfs/dbraw/zinc/30/83/24/498308324.db2.gz VCQWWGAELJWUBB-UHFFFAOYSA-N 0 3 366.893 3.243 20 5 FGBDHN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000365153794 498325589 /nfs/dbraw/zinc/32/55/89/498325589.db2.gz PBQUIAMWOBDSBX-IAGOWNOFSA-N 0 3 374.485 3.181 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000331550491 498370033 /nfs/dbraw/zinc/37/00/33/498370033.db2.gz NBGSKJFMBYTOAZ-GRDNDAEWSA-N 0 3 363.483 3.161 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000361597740 498410077 /nfs/dbraw/zinc/41/00/77/498410077.db2.gz SJJKJQLDPOYMST-SJLPKXTDSA-N 0 3 351.406 3.351 20 5 FGBDHN Cc1cc(N2CCC(N3CCO[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302138753 498414767 /nfs/dbraw/zinc/41/47/67/498414767.db2.gz DXJQSBRFPDWMHK-OAHLLOKOSA-N 0 3 370.453 3.141 20 5 FGBDHN Cc1cc(NC[C@H](O)COc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302191910 498436662 /nfs/dbraw/zinc/43/66/62/498436662.db2.gz RIXRLZNPPRZIIM-HNNXBMFYSA-N 0 3 371.368 3.442 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000302663603 498527144 /nfs/dbraw/zinc/52/71/44/498527144.db2.gz KZOWSKBADFKJQX-UHFFFAOYSA-N 0 3 370.453 3.165 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000287325274 498716568 /nfs/dbraw/zinc/71/65/68/498716568.db2.gz WQRNJDNTTULLKF-ZFWWWQNUSA-N 0 3 362.430 3.084 20 5 FGBDHN C[C@@]12CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]1C2(F)F ZINC000298303638 498727297 /nfs/dbraw/zinc/72/72/97/498727297.db2.gz PUJOKCQHFMSKOJ-DZGCQCFKSA-N 0 3 357.332 3.040 20 5 FGBDHN CNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000312321940 498757789 /nfs/dbraw/zinc/75/77/89/498757789.db2.gz RYSKJGWDPOPCKO-PBHICJAKSA-N 0 3 368.437 3.029 20 5 FGBDHN O=C([C@H]1CCN(Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581952920 506099059 /nfs/dbraw/zinc/09/90/59/506099059.db2.gz ZCCIVEDOJNHJRJ-INIZCTEOSA-N 0 3 351.406 3.006 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc[nH]n3)C2)c(C(F)(F)F)c1 ZINC000363510646 498853672 /nfs/dbraw/zinc/85/36/72/498853672.db2.gz PMAYYVJTRPMBOV-LLVKDONJSA-N 0 3 355.320 3.111 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000288487914 499038712 /nfs/dbraw/zinc/03/87/12/499038712.db2.gz RJXGXZUAXGHROJ-UKRRQHHQSA-N 0 3 363.433 3.097 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000284169825 499062601 /nfs/dbraw/zinc/06/26/01/499062601.db2.gz WXLBNFWQTOTZFO-QGZVFWFLSA-N 0 3 359.426 3.005 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364005185 499081678 /nfs/dbraw/zinc/08/16/78/499081678.db2.gz VBAGVGSDLYOFEV-FQEVSTJZSA-N 0 3 367.405 3.089 20 5 FGBDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000364015533 499086718 /nfs/dbraw/zinc/08/67/18/499086718.db2.gz VRUIHFPJTWFHJL-OAHLLOKOSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]n1 ZINC000364015533 499086721 /nfs/dbraw/zinc/08/67/21/499086721.db2.gz VRUIHFPJTWFHJL-OAHLLOKOSA-N 0 3 371.441 3.143 20 5 FGBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN(C2CCC2)C1 ZINC000291928429 499105075 /nfs/dbraw/zinc/10/50/75/499105075.db2.gz SLFLTBJMRFFTBV-LBPRGKRZSA-N 0 3 350.394 3.072 20 5 FGBDHN CC(C)(CCC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[N+](=O)[O-] ZINC000295816258 499106838 /nfs/dbraw/zinc/10/68/38/499106838.db2.gz BZJKSLZTDLWPOQ-KRWDZBQOSA-N 0 3 361.486 3.239 20 5 FGBDHN COCC[C@H]1CCCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364158023 499125410 /nfs/dbraw/zinc/12/54/10/499125410.db2.gz HPPJKKAQJBQQFL-CQSZACIVSA-N 0 3 360.414 3.283 20 5 FGBDHN C[C@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000367432409 499198452 /nfs/dbraw/zinc/19/84/52/499198452.db2.gz RTWAVVYLRNUTML-YJBOKZPZSA-N 0 3 353.422 3.089 20 5 FGBDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000367457193 499200949 /nfs/dbraw/zinc/20/09/49/499200949.db2.gz FJMYUKOSANSUKI-UHFFFAOYSA-N 0 3 371.441 3.143 20 5 FGBDHN CN1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cccnc1 ZINC000368552103 499306541 /nfs/dbraw/zinc/30/65/41/499306541.db2.gz VVLPYAQLEPGJOU-WFASDCNBSA-N 0 3 370.438 3.099 20 5 FGBDHN Cc1c([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000371379889 499317541 /nfs/dbraw/zinc/31/75/41/499317541.db2.gz RSCZGPSURXCTAJ-SFHVURJKSA-N 0 3 371.441 3.111 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2cccs2)CC1 ZINC000368803516 499334141 /nfs/dbraw/zinc/33/41/41/499334141.db2.gz CWRRTRHWUHHITE-UHFFFAOYSA-N 0 3 360.439 3.442 20 5 FGBDHN Cc1ccc(C(=O)NC2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000368807017 499334908 /nfs/dbraw/zinc/33/49/08/499334908.db2.gz VBKNZAOVVCIYFS-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN CCN1CCC(N(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C2CC2)CC1 ZINC000371810579 499367848 /nfs/dbraw/zinc/36/78/48/499367848.db2.gz RYMNUSLSPDNWJG-CYBMUJFWSA-N 0 3 363.433 3.313 20 5 FGBDHN Cc1nc2c(s1)CCC[C@H]2CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369540732 499414607 /nfs/dbraw/zinc/41/46/07/499414607.db2.gz KKEOIMKEKJRMMO-HOCLYGCPSA-N 0 3 361.467 3.445 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567207 499419378 /nfs/dbraw/zinc/41/93/78/499419378.db2.gz HDRRASDBVUGTKE-RHSMWYFYSA-N 0 3 359.451 3.388 20 5 FGBDHN CSc1ccc(OCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373272532 499460891 /nfs/dbraw/zinc/46/08/91/499460891.db2.gz HCMRLCHKWYZECK-UHFFFAOYSA-N 0 3 362.455 3.229 20 5 FGBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376970763 499650752 /nfs/dbraw/zinc/65/07/52/499650752.db2.gz BBAVPYMSORGLNL-UHFFFAOYSA-N 0 3 371.359 3.130 20 5 FGBDHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n(C)n1 ZINC000570394211 506157939 /nfs/dbraw/zinc/15/79/39/506157939.db2.gz ZHXVUWBLFJPTNR-HOTGVXAUSA-N 0 3 357.458 3.265 20 5 FGBDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532680 499752089 /nfs/dbraw/zinc/75/20/89/499752089.db2.gz ZMIRQKYDGNUNHF-KDOFPFPSSA-N 0 3 354.410 3.402 20 5 FGBDHN Cc1ccc2ncc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2c1 ZINC000411655315 499773699 /nfs/dbraw/zinc/77/36/99/499773699.db2.gz JSLLLIVMPBEDJD-UHFFFAOYSA-N 0 3 351.410 3.485 20 5 FGBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000414490388 499798895 /nfs/dbraw/zinc/79/88/95/499798895.db2.gz BDTXSZKFVMXSKB-MRXNPFEDSA-N 0 3 358.394 3.388 20 5 FGBDHN COc1cc(CN[C@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414496512 499799568 /nfs/dbraw/zinc/79/95/68/499799568.db2.gz IMGKGELCKBWEQJ-MWLCHTKSSA-N 0 3 362.398 3.231 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411918865 499803434 /nfs/dbraw/zinc/80/34/34/499803434.db2.gz ALXXUKQLVYOCEZ-HKUYNNGSSA-N 0 3 369.421 3.040 20 5 FGBDHN CC(C)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC(=O)N1 ZINC000414551559 499807214 /nfs/dbraw/zinc/80/72/14/499807214.db2.gz BQMOYFJTSJELJX-CQSZACIVSA-N 0 3 357.410 3.344 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2NCCc3ccccc32)c1 ZINC000414941334 499846980 /nfs/dbraw/zinc/84/69/80/499846980.db2.gz AFKQWIHGBDYAPT-MRXNPFEDSA-N 0 3 363.364 3.173 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1F)CCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000415962256 499934151 /nfs/dbraw/zinc/93/41/51/499934151.db2.gz SLANZLLDSNJSMZ-UHFFFAOYSA-N 0 3 372.400 3.436 20 5 FGBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000413310445 499940228 /nfs/dbraw/zinc/94/02/28/499940228.db2.gz NHIFZPOKVAOCEE-HOTGVXAUSA-N 0 3 356.401 3.087 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416097232 499948052 /nfs/dbraw/zinc/94/80/52/499948052.db2.gz QOZYRNZVRJBHHL-AWEZNQCLSA-N 0 3 365.499 3.408 20 5 FGBDHN Cc1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000425011599 499992970 /nfs/dbraw/zinc/99/29/70/499992970.db2.gz XWEVPAJYUKJYKD-FXAWDEMLSA-N 0 3 365.433 3.250 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416305345 500010771 /nfs/dbraw/zinc/01/07/71/500010771.db2.gz AZGGOAXAAVAZEF-UHFFFAOYSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCCN(C)C ZINC000416340403 500020601 /nfs/dbraw/zinc/02/06/01/500020601.db2.gz JXIFGJUOGMIGGF-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CC(C)(NCCC(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000429237767 500030000 /nfs/dbraw/zinc/03/00/00/500030000.db2.gz OWISYTPGTCJXOT-UHFFFAOYSA-N 0 3 367.449 3.395 20 5 FGBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000425243576 500054091 /nfs/dbraw/zinc/05/40/91/500054091.db2.gz UEPHSMOJZHZHGD-LBPRGKRZSA-N 0 3 359.405 3.349 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COCc2ccccc21 ZINC000417413986 500066609 /nfs/dbraw/zinc/06/66/09/500066609.db2.gz XZSZXPCQHKUWFV-SCLBCKFNSA-N 0 3 355.394 3.173 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425630469 500164703 /nfs/dbraw/zinc/16/47/03/500164703.db2.gz RWMZNXWUWUVWFX-INIZCTEOSA-N 0 3 369.421 3.127 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]1(CO)Cc1ccccc1 ZINC000430237862 500213267 /nfs/dbraw/zinc/21/32/67/500213267.db2.gz JRNYHMOOSOLFPA-HXUWFJFHSA-N 0 3 356.422 3.173 20 5 FGBDHN Cc1c(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000430298171 500223768 /nfs/dbraw/zinc/22/37/68/500223768.db2.gz JSUBQMKEPXKRNC-KRWDZBQOSA-N 0 3 353.422 3.388 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000426876571 500332115 /nfs/dbraw/zinc/33/21/15/500332115.db2.gz SRFXXDGHONECHZ-SFHVURJKSA-N 0 3 369.421 3.170 20 5 FGBDHN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H](N)c1ccccc1 ZINC000423719543 500397040 /nfs/dbraw/zinc/39/70/40/500397040.db2.gz FMSGPGCKWKNPEF-IFXJQAMLSA-N 0 3 353.422 3.422 20 5 FGBDHN O=C([C@@H]1CCCCN1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427962002 500451428 /nfs/dbraw/zinc/45/14/28/500451428.db2.gz DORUZFUHBRSGAT-SFHVURJKSA-N 0 3 373.453 3.113 20 5 FGBDHN COC1([C@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOCC1 ZINC000421032850 500560808 /nfs/dbraw/zinc/56/08/08/500560808.db2.gz MHYYWMIKXZDWRG-NSHDSACASA-N 0 3 362.348 3.287 20 5 FGBDHN COc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000447538846 500620483 /nfs/dbraw/zinc/62/04/83/500620483.db2.gz DMUJOACVMGSUKK-JKSUJKDBSA-N 0 3 360.414 3.082 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433320476 500671719 /nfs/dbraw/zinc/67/17/19/500671719.db2.gz URAKNEVAQHIDPU-IBGZPJMESA-N 0 3 356.422 3.467 20 5 FGBDHN CCOC(=O)c1cc(NC[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000433717061 500733204 /nfs/dbraw/zinc/73/32/04/500733204.db2.gz CCPDGDKJTVBWIM-GOSISDBHSA-N 0 3 357.410 3.486 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444077133 500799650 /nfs/dbraw/zinc/79/96/50/500799650.db2.gz SIKDUCSAPYWJAC-OLZOCXBDSA-N 0 3 367.424 3.033 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(F)(c2ccccc2)CC1 ZINC000434501078 500853147 /nfs/dbraw/zinc/85/31/47/500853147.db2.gz VISMSBSXBGRNQJ-KRWDZBQOSA-N 0 3 374.412 3.295 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434748245 500889214 /nfs/dbraw/zinc/88/92/14/500889214.db2.gz ONTMSXJJWJPPJO-UHFFFAOYSA-N 0 3 370.453 3.386 20 5 FGBDHN CC1CCC(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CC1 ZINC000435057732 500928759 /nfs/dbraw/zinc/92/87/59/500928759.db2.gz RILDFCMTSMPAJO-UHFFFAOYSA-N 0 3 358.442 3.432 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000449170385 500939744 /nfs/dbraw/zinc/93/97/44/500939744.db2.gz QRPVWMOPIAXHSO-IIDMSEBBSA-N 0 3 353.422 3.309 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000449170387 500939767 /nfs/dbraw/zinc/93/97/67/500939767.db2.gz QRPVWMOPIAXHSO-RVKKMQEKSA-N 0 3 353.422 3.309 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000449287225 500967297 /nfs/dbraw/zinc/96/72/97/500967297.db2.gz WIPSKHZDOLAHGM-RDTXWAMCSA-N 0 3 371.412 3.056 20 5 FGBDHN COc1cccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499291 500985948 /nfs/dbraw/zinc/98/59/48/500985948.db2.gz FFFDTKPVPGKLOO-GDBMZVCRSA-N 0 3 369.421 3.169 20 5 FGBDHN CNC(=O)c1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449497678 501018712 /nfs/dbraw/zinc/01/87/12/501018712.db2.gz JBPBSNOIVLPTLJ-GOSISDBHSA-N 0 3 353.422 3.334 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449532191 501027241 /nfs/dbraw/zinc/02/72/41/501027241.db2.gz DAIHJWUMPCZLAI-QFBILLFUSA-N 0 3 357.410 3.398 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1cccnc1)C1CC1 ZINC000445769729 501030008 /nfs/dbraw/zinc/03/00/08/501030008.db2.gz ZTYAMRBPEVKYNB-IBGZPJMESA-N 0 3 370.409 3.068 20 5 FGBDHN CO[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630400 501046787 /nfs/dbraw/zinc/04/67/87/501046787.db2.gz HUENVUNUSJYUSU-ROUUACIJSA-N 0 3 370.453 3.385 20 5 FGBDHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681436 501061032 /nfs/dbraw/zinc/06/10/32/501061032.db2.gz VVMOWHYDMAOHKX-CZUORRHYSA-N 0 3 362.451 3.295 20 5 FGBDHN C[C@@H]1CN(CCCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000450378202 501105067 /nfs/dbraw/zinc/10/50/67/501105067.db2.gz MQQIOJALDLZXJH-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441283457 501114071 /nfs/dbraw/zinc/11/40/71/501114071.db2.gz YRWCPWAEQTVDIY-VNQPRFMTSA-N 0 3 372.425 3.454 20 5 FGBDHN COC(=O)Cc1ccc(NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000450214083 501211523 /nfs/dbraw/zinc/21/15/23/501211523.db2.gz GSPBBSCTTXHZFE-GOSISDBHSA-N 0 3 357.410 3.025 20 5 FGBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](N2CCCCC2)C1 ZINC000450324231 501233599 /nfs/dbraw/zinc/23/35/99/501233599.db2.gz NJNZEPBBSCORNP-CQSZACIVSA-N 0 3 356.426 3.216 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451204437 501251965 /nfs/dbraw/zinc/25/19/65/501251965.db2.gz UHIIDUFFTARCEJ-ZDUSSCGKSA-N 0 3 371.359 3.360 20 5 FGBDHN C[C@@]12CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372926 501277604 /nfs/dbraw/zinc/27/76/04/501277604.db2.gz RKLSRSWJGMGJLJ-DFHZNHDVSA-N 0 3 352.394 3.289 20 5 FGBDHN Cc1ccc([C@@H](C)NCCc2cnc3c(Cl)cnn3c2)cc1[N+](=O)[O-] ZINC000453218699 501293328 /nfs/dbraw/zinc/29/33/28/501293328.db2.gz KTVVRMPAAPTNAF-GFCCVEGCSA-N 0 3 359.817 3.493 20 5 FGBDHN CC[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453226560 501294169 /nfs/dbraw/zinc/29/41/69/501294169.db2.gz DFZHDMWOSJOMRL-WMLDXEAASA-N 0 3 360.435 3.207 20 5 FGBDHN C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000457895159 501329982 /nfs/dbraw/zinc/32/99/82/501329982.db2.gz ARJFDYWKDMWGRB-MAUKXSAKSA-N 0 3 370.453 3.128 20 5 FGBDHN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000453436651 501331818 /nfs/dbraw/zinc/33/18/18/501331818.db2.gz LMERHFQFIOIKIH-HIFRSBDPSA-N 0 3 356.426 3.236 20 5 FGBDHN Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458196368 501389572 /nfs/dbraw/zinc/38/95/72/501389572.db2.gz GOSASYCSCJKJIT-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452024487 501420103 /nfs/dbraw/zinc/42/01/03/501420103.db2.gz ZEUQRVKSAWWUMZ-VCTAVGKDSA-N 0 3 355.822 3.122 20 5 FGBDHN Cc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000458328339 501420990 /nfs/dbraw/zinc/42/09/90/501420990.db2.gz WYIAYABMRGLHAC-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452169992 501450927 /nfs/dbraw/zinc/45/09/27/501450927.db2.gz HLMRGMCGBZCMIE-NVXWUHKLSA-N 0 3 359.470 3.106 20 5 FGBDHN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456352089 501507480 /nfs/dbraw/zinc/50/74/80/501507480.db2.gz XWBDIAUTPFDONV-QGZVFWFLSA-N 0 3 367.449 3.497 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000598990495 506264961 /nfs/dbraw/zinc/26/49/61/506264961.db2.gz GFMFLQCEJVFMIH-GOSISDBHSA-N 0 3 361.829 3.243 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457097858 501650429 /nfs/dbraw/zinc/65/04/29/501650429.db2.gz SOFACMVQBKARJY-CQSZACIVSA-N 0 3 351.472 3.262 20 5 FGBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000459594495 501683225 /nfs/dbraw/zinc/68/32/25/501683225.db2.gz WJZMCXMTKDJGHM-SFHVURJKSA-N 0 3 350.415 3.027 20 5 FGBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(CN)c2)cc1OC ZINC000457365185 501687735 /nfs/dbraw/zinc/68/77/35/501687735.db2.gz BTAAGFGDRVSNLJ-UHFFFAOYSA-N 0 3 359.382 3.022 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459634759 501690259 /nfs/dbraw/zinc/69/02/59/501690259.db2.gz IOYMFJCAMGIKSV-DNVCBOLYSA-N 0 3 368.437 3.096 20 5 FGBDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459663793 501695165 /nfs/dbraw/zinc/69/51/65/501695165.db2.gz GIYBTGCZSWCQEU-HUUCEWRRSA-N 0 3 360.410 3.002 20 5 FGBDHN COc1cc(CN2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000463469168 501732653 /nfs/dbraw/zinc/73/26/53/501732653.db2.gz IXJSMNFWKQYHEG-UHFFFAOYSA-N 0 3 373.428 3.450 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN(C)Cc1ccccc1 ZINC000477618583 501739078 /nfs/dbraw/zinc/73/90/78/501739078.db2.gz VADLKFJZCACDHY-UHFFFAOYSA-N 0 3 361.829 3.418 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCC[C@H]1C ZINC000485192780 501751894 /nfs/dbraw/zinc/75/18/94/501751894.db2.gz BLIITVWCLORTOM-VXGBXAGGSA-N 0 3 371.384 3.189 20 5 FGBDHN CC(C)N1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671480 501761309 /nfs/dbraw/zinc/76/13/09/501761309.db2.gz TYPVOAKBWZSMRO-KGLIPLIRSA-N 0 3 351.472 3.064 20 5 FGBDHN COc1cc(C(=O)NCCCN(C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000477844316 501806729 /nfs/dbraw/zinc/80/67/29/501806729.db2.gz DCTJNBGOFOWVSR-UHFFFAOYSA-N 0 3 371.437 3.164 20 5 FGBDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938824 501861957 /nfs/dbraw/zinc/86/19/57/501861957.db2.gz ZTBBULCRNTXLMG-PWSUYJOCSA-N 0 3 373.331 3.166 20 5 FGBDHN C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467866318 501894228 /nfs/dbraw/zinc/89/42/28/501894228.db2.gz SYNNVLSHRUAFIX-QZTJIDSGSA-N 0 3 368.481 3.456 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)c(F)c1 ZINC000478177997 501902138 /nfs/dbraw/zinc/90/21/38/501902138.db2.gz NPRMAZOCAMTQBD-NSHDSACASA-N 0 3 370.783 3.467 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485837792 501956107 /nfs/dbraw/zinc/95/61/07/501956107.db2.gz BXELJLXLJZSXLO-TZMCWYRMSA-N 0 3 373.434 3.295 20 5 FGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464341242 501959772 /nfs/dbraw/zinc/95/97/72/501959772.db2.gz WXUQPRHGGBACQC-OAHLLOKOSA-N 0 3 351.834 3.243 20 5 FGBDHN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000478671891 502051806 /nfs/dbraw/zinc/05/18/06/502051806.db2.gz URITXTKCPZBOOJ-CVEARBPZSA-N 0 3 362.474 3.166 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468485072 502076389 /nfs/dbraw/zinc/07/63/89/502076389.db2.gz XCYMILWVJJCRKP-WMZOPIPTSA-N 0 3 361.486 3.400 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000478832911 502099786 /nfs/dbraw/zinc/09/97/86/502099786.db2.gz SLEJQGRLWMFGCB-LJQANCHMSA-N 0 3 370.453 3.314 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CCO)C2CCOCC2)o1 ZINC000461422581 502107616 /nfs/dbraw/zinc/10/76/16/502107616.db2.gz DHCVGMKDILIVBN-KRWDZBQOSA-N 0 3 360.410 3.122 20 5 FGBDHN Cc1nc(N(CCN(C)C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000471752297 502127508 /nfs/dbraw/zinc/12/75/08/502127508.db2.gz XWOYOIDURGYJBX-UHFFFAOYSA-N 0 3 350.369 3.145 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCCS(=O)(=O)c1ccccc1 ZINC000468651082 502135538 /nfs/dbraw/zinc/13/55/38/502135538.db2.gz XQFRARJEHKEYLD-DTQAZKPQSA-N 0 3 374.462 3.452 20 5 FGBDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948210 502248835 /nfs/dbraw/zinc/24/88/35/502248835.db2.gz MDYYMEGHPCDMQW-WMZOPIPTSA-N 0 3 373.428 3.337 20 5 FGBDHN C[C@]1(C(N)=O)CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000475677566 502251722 /nfs/dbraw/zinc/25/17/22/502251722.db2.gz GNDYFMVOJXJBSS-IBGZPJMESA-N 0 3 373.384 3.224 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000479416407 502253084 /nfs/dbraw/zinc/25/30/84/502253084.db2.gz YLNWLRRVYUBOAH-LLVKDONJSA-N 0 3 366.215 3.482 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475707392 502259449 /nfs/dbraw/zinc/25/94/49/502259449.db2.gz SLUKSJGUGAFXFI-ZIAGYGMSSA-N 0 3 350.415 3.015 20 5 FGBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596195846 506302888 /nfs/dbraw/zinc/30/28/88/506302888.db2.gz IROURLGRBYDYRK-LBPRGKRZSA-N 0 3 360.380 3.052 20 5 FGBDHN O=C(NC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000472272188 502293493 /nfs/dbraw/zinc/29/34/93/502293493.db2.gz DZFRBXKQSSHVBW-HXUWFJFHSA-N 0 3 367.449 3.422 20 5 FGBDHN COc1cc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])ccc1OC(C)C ZINC000602802563 506305816 /nfs/dbraw/zinc/30/58/16/506305816.db2.gz QFGIXHIQURNSJE-CYBMUJFWSA-N 0 3 362.430 3.246 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000596200679 506306119 /nfs/dbraw/zinc/30/61/19/506306119.db2.gz QWFMEQAJCWXUBV-LBPRGKRZSA-N 0 3 367.833 3.099 20 5 FGBDHN COc1cc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000479633590 502324900 /nfs/dbraw/zinc/32/49/00/502324900.db2.gz FWSICQQBTXVXAP-ZDUSSCGKSA-N 0 3 363.458 3.152 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000462169430 502332091 /nfs/dbraw/zinc/33/20/91/502332091.db2.gz ZXSUJMCDWMCVBR-QAPCUYQASA-N 0 3 353.422 3.154 20 5 FGBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1 ZINC000472440263 502352497 /nfs/dbraw/zinc/35/24/97/502352497.db2.gz XDPOMDWKMORTPH-UHFFFAOYSA-N 0 3 367.247 3.464 20 5 FGBDHN C[C@@H](CN1CCCCCC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000479797253 502380779 /nfs/dbraw/zinc/38/07/79/502380779.db2.gz QFJTVHYLNPOEDS-GJZGRUSLSA-N 0 3 365.499 3.456 20 5 FGBDHN Cc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000466474225 502581596 /nfs/dbraw/zinc/58/15/96/502581596.db2.gz NQZAARYXFFRUPQ-QAPCUYQASA-N 0 3 353.422 3.182 20 5 FGBDHN CNc1c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936677 502632544 /nfs/dbraw/zinc/63/25/44/502632544.db2.gz SBKZZSSVBHJDMK-GOEBONIOSA-N 0 3 368.437 3.202 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(c2ccnn2CCO)CC1 ZINC000470171536 502692036 /nfs/dbraw/zinc/69/20/36/502692036.db2.gz KZHVXTLINVMXKY-SSZFMOIBSA-N 0 3 370.453 3.067 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cc(C(N)=O)ccc1CN(C)C ZINC000470176656 502696015 /nfs/dbraw/zinc/69/60/15/502696015.db2.gz XTAOAVMKBZMEEA-ZROIWOOFSA-N 0 3 368.437 3.271 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468521 502723714 /nfs/dbraw/zinc/72/37/14/502723714.db2.gz PHCUFDQAWJBXFR-UKRRQHHQSA-N 0 3 359.451 3.297 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000470293527 502727331 /nfs/dbraw/zinc/72/73/31/502727331.db2.gz RNOMYTFITNTTGG-UHFFFAOYSA-N 0 3 351.472 3.169 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060717 502774452 /nfs/dbraw/zinc/77/44/52/502774452.db2.gz SSVZVYOBISFZIP-YJBOKZPZSA-N 0 3 353.422 3.296 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000504899936 502820606 /nfs/dbraw/zinc/82/06/06/502820606.db2.gz OOHBJODDINVHGM-OAHLLOKOSA-N 0 3 371.437 3.383 20 5 FGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504913217 502822798 /nfs/dbraw/zinc/82/27/98/502822798.db2.gz CVNFEQSNGCEKFC-QGZVFWFLSA-N 0 3 354.410 3.381 20 5 FGBDHN COCCN(C)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000505053138 502846073 /nfs/dbraw/zinc/84/60/73/502846073.db2.gz CBJNCMIMIOSUJL-GOSISDBHSA-N 0 3 371.437 3.034 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)Cc1ccc(F)cc1 ZINC000509615104 502949347 /nfs/dbraw/zinc/94/93/47/502949347.db2.gz CZUHNGUMIFFLFB-OAHLLOKOSA-N 0 3 362.401 3.073 20 5 FGBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000501164070 502952174 /nfs/dbraw/zinc/95/21/74/502952174.db2.gz QLELZRNUXYZDHT-IBGZPJMESA-N 0 3 369.421 3.169 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)COc2ccccc2)cc(C(F)(F)F)c1 ZINC000582660965 506352330 /nfs/dbraw/zinc/35/23/30/506352330.db2.gz NOBUZORXOKEYPE-OAHLLOKOSA-N 0 3 370.327 3.143 20 5 FGBDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501931497 503110581 /nfs/dbraw/zinc/11/05/81/503110581.db2.gz VHKBSWJJDYOXRU-CABZTGNLSA-N 0 3 356.220 3.074 20 5 FGBDHN C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000498398593 503178538 /nfs/dbraw/zinc/17/85/38/503178538.db2.gz UTPCWAIMNUQMCH-DNVCBOLYSA-N 0 3 370.453 3.128 20 5 FGBDHN C[C@@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000510995050 503232212 /nfs/dbraw/zinc/23/22/12/503232212.db2.gz IXGYJVDDKJCZFN-VQIMIIECSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCc1ccccc1O ZINC000514965852 503237898 /nfs/dbraw/zinc/23/78/98/503237898.db2.gz KPKFSSGZOHQDCB-UHFFFAOYSA-N 0 3 357.410 3.112 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000511060133 503243443 /nfs/dbraw/zinc/24/34/43/503243443.db2.gz QEGKAQZYCNCYQG-KRWDZBQOSA-N 0 3 350.369 3.353 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000599186663 506364984 /nfs/dbraw/zinc/36/49/84/506364984.db2.gz JEWAIQNKGXKLGP-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000507645100 503337525 /nfs/dbraw/zinc/33/75/25/503337525.db2.gz PBZAJWRVGIDWEX-WBVHZDCISA-N 0 3 353.422 3.469 20 5 FGBDHN Cc1c(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000503099201 503347151 /nfs/dbraw/zinc/34/71/51/503347151.db2.gz ASIGTOCRQRRREN-BEFAXECRSA-N 0 3 370.453 3.394 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000499168254 503348205 /nfs/dbraw/zinc/34/82/05/503348205.db2.gz ODUNBTAYYJHUEU-SFHVURJKSA-N 0 3 371.437 3.335 20 5 FGBDHN Cn1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213607 503356385 /nfs/dbraw/zinc/35/63/85/503356385.db2.gz NYEDOAPBVYNFRL-QZTJIDSGSA-N 0 3 372.469 3.224 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511676976 503367988 /nfs/dbraw/zinc/36/79/88/503367988.db2.gz DECOREOILLWZHW-NVXWUHKLSA-N 0 3 353.422 3.469 20 5 FGBDHN CCOc1cc(CN[C@]2(C)CCCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492581469 503375969 /nfs/dbraw/zinc/37/59/69/503375969.db2.gz HYEPKRHGFLTFEL-RDTXWAMCSA-N 0 3 350.415 3.205 20 5 FGBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000516206525 503470607 /nfs/dbraw/zinc/47/06/07/503470607.db2.gz LPWBCCVRCZMPIN-QGZVFWFLSA-N 0 3 358.442 3.154 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000494026663 503476529 /nfs/dbraw/zinc/47/65/29/503476529.db2.gz JIDJNISLGDWXOU-UGSOOPFHSA-N 0 3 357.385 3.127 20 5 FGBDHN CC[C@H]1CN(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494467681 503546959 /nfs/dbraw/zinc/54/69/59/503546959.db2.gz RLSCKBMKQGSJAP-SFTDATJTSA-N 0 3 369.465 3.385 20 5 FGBDHN COc1cc(CNCC(C)(C)c2ncccc2C)c([N+](=O)[O-])cc1OC ZINC000516606629 503548300 /nfs/dbraw/zinc/54/83/00/503548300.db2.gz OCDMFPFDIALUPC-UHFFFAOYSA-N 0 3 359.426 3.383 20 5 FGBDHN CS[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000494707860 503598282 /nfs/dbraw/zinc/59/82/82/503598282.db2.gz LHFVJQPSVPKBBN-CVEARBPZSA-N 0 3 355.891 3.260 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000546182221 503661428 /nfs/dbraw/zinc/66/14/28/503661428.db2.gz XWFLKJSBQOTXFQ-BETUJISGSA-N 0 3 373.400 3.498 20 5 FGBDHN Cc1ccc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543248906 503699555 /nfs/dbraw/zinc/69/95/55/503699555.db2.gz HMZNKBIOSKZMOB-QZTJIDSGSA-N 0 3 356.422 3.132 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C(C)C)C1=O ZINC000536872744 503745736 /nfs/dbraw/zinc/74/57/36/503745736.db2.gz YKOPZUIILUVUJM-KBPBESRZSA-N 0 3 351.472 3.064 20 5 FGBDHN COC(=O)CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000527304575 503758674 /nfs/dbraw/zinc/75/86/74/503758674.db2.gz ZKNIYITYVJTGCK-RXBGNRNISA-N 0 3 362.426 3.042 20 5 FGBDHN COc1ccc(CNC(C)(C)[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537318613 503878610 /nfs/dbraw/zinc/87/86/10/503878610.db2.gz NVUZXOLHONOAMM-AWEZNQCLSA-N 0 3 374.437 3.431 20 5 FGBDHN CCCOc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000537635791 503986942 /nfs/dbraw/zinc/98/69/42/503986942.db2.gz VQZJXOAIUZHXMI-INIZCTEOSA-N 0 3 356.426 3.465 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@](C)(O)C(F)(F)F ZINC000537947001 504091798 /nfs/dbraw/zinc/09/17/98/504091798.db2.gz DCYKGFDBEZDLQZ-GXFFZTMASA-N 0 3 352.378 3.368 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCNC1(c2cccc(F)c2)CC1 ZINC000538187837 504155498 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357.414 3.137 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@]3(O)CCOC3)o2)c(Cl)c1 ZINC000593669796 506720700 /nfs/dbraw/zinc/72/07/00/506720700.db2.gz AXQYRVQUFTVVME-KRWDZBQOSA-N 0 3 366.801 3.139 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccc(O)cc2CC1 ZINC000608866645 506731175 /nfs/dbraw/zinc/73/11/75/506731175.db2.gz JQPZDNJYCOXPAB-UHFFFAOYSA-N 0 3 369.421 3.038 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1CN1CCCCC1 ZINC000609024375 506765437 /nfs/dbraw/zinc/76/54/37/506765437.db2.gz WQVJVBZRYWJCRH-INIZCTEOSA-N 0 3 357.410 3.432 20 5 FGBDHN CC(C)c1ccc(CN2CCC(C)(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600201411 506840331 /nfs/dbraw/zinc/84/03/31/506840331.db2.gz KFHDTRJUUPPLAK-UHFFFAOYSA-N 0 3 361.486 3.405 20 5 FGBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1Cl ZINC000609543621 506916352 /nfs/dbraw/zinc/91/63/52/506916352.db2.gz CJGFKIUFWHQFOE-MRXNPFEDSA-N 0 3 359.813 3.186 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000609672278 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735935190 /nfs/dbraw/zinc/93/51/90/735935190.db2.gz BPCKWHJIXZBXCZ-OLZOCXBDSA-N 0 3 358.225 3.210 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896518065 742561053 /nfs/dbraw/zinc/56/10/53/742561053.db2.gz LHISJZJHWITYON-CYBMUJFWSA-N 0 3 359.348 3.279 20 5 FGBDHN C[C@@H]1CCc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573727157 505605722 /nfs/dbraw/zinc/60/57/22/505605722.db2.gz OIYFJRVQBMOUTO-AUUYWEPGSA-N 0 3 374.462 3.282 20 5 FGBDHN CC(C)[C@H](c1ccccc1Cl)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742907 493774246 /nfs/dbraw/zinc/77/42/46/493774246.db2.gz DIKVAYHIEHFEHE-WMLDXEAASA-N 0 3 366.849 3.135 20 5 FGBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000080927179 493793102 /nfs/dbraw/zinc/79/31/02/493793102.db2.gz VKEWZXSYVVDCAE-QGZVFWFLSA-N 0 3 368.437 3.191 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)c2ccccc2C1 ZINC000069090998 493919585 /nfs/dbraw/zinc/91/95/85/493919585.db2.gz UANMDBDZKFENRC-UHFFFAOYSA-N 0 3 368.437 3.184 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000061503348 493980519 /nfs/dbraw/zinc/98/05/19/493980519.db2.gz IETDIZWKPRQNGX-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000051855670 493990448 /nfs/dbraw/zinc/99/04/48/493990448.db2.gz JYIWOYJRXDOXKL-OAHLLOKOSA-N 0 3 367.409 3.247 20 5 FGBDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000032768904 494014599 /nfs/dbraw/zinc/01/45/99/494014599.db2.gz JBNJDFVYSPSZSR-XLIONFOSSA-N 0 3 372.421 3.180 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000053967996 494179424 /nfs/dbraw/zinc/17/94/24/494179424.db2.gz JBWBXICIGIYNRM-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN CC(C)Oc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665216 494229170 /nfs/dbraw/zinc/22/91/70/494229170.db2.gz XFBBRYXGVVGQIH-INIZCTEOSA-N 0 3 356.426 3.463 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1 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371.437 3.199 20 5 FGBDHN C[C@@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000057201664 494677841 /nfs/dbraw/zinc/67/78/41/494677841.db2.gz JRERKYYFWDPLOH-CRAIPNDOSA-N 0 3 370.453 3.128 20 5 FGBDHN CN(C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092686573 494712680 /nfs/dbraw/zinc/71/26/80/494712680.db2.gz YXRNYAJARDIMNI-UHFFFAOYSA-N 0 3 366.368 3.159 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](O)C3)o2)c(Br)c1 ZINC000126335013 494714453 /nfs/dbraw/zinc/71/44/53/494714453.db2.gz XXECGOKRVIROJM-LLVKDONJSA-N 0 3 367.199 3.184 20 5 FGBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025536003 494755340 /nfs/dbraw/zinc/75/53/40/494755340.db2.gz MNTVBNJFGRSTFE-HXUWFJFHSA-N 0 3 367.449 3.408 20 5 FGBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068135539 494776657 /nfs/dbraw/zinc/77/66/57/494776657.db2.gz BWYSHPRJIUGDTE-QGZVFWFLSA-N 0 3 372.469 3.260 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 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CN(Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000120229036 495331938 /nfs/dbraw/zinc/33/19/38/495331938.db2.gz MHTHIIJKCUJJIA-HNNXBMFYSA-N 0 3 350.802 3.120 20 5 FGBDHN Cc1ccc(NC(=O)NCc2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000120486366 495389616 /nfs/dbraw/zinc/38/96/16/495389616.db2.gz BJJZSUJNOKVDGV-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114643566 495403322 /nfs/dbraw/zinc/40/33/22/495403322.db2.gz ORJSQWUSNULOGC-SFHVURJKSA-N 0 3 353.422 3.298 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120584110 495410563 /nfs/dbraw/zinc/41/05/63/495410563.db2.gz STBYENNCYIISHK-OAHLLOKOSA-N 0 3 360.458 3.143 20 5 FGBDHN CN(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000568808907 505781375 /nfs/dbraw/zinc/78/13/75/505781375.db2.gz SXWQTIZKRBICQB-MRXNPFEDSA-N 0 3 364.352 3.297 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1csc([N+](=O)[O-])c1 ZINC000139988256 495487105 /nfs/dbraw/zinc/48/71/05/495487105.db2.gz ZJABZCQZZOGQEE-LBPRGKRZSA-N 0 3 365.480 3.360 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N2CCCC2)cc1 ZINC000143190097 495531292 /nfs/dbraw/zinc/53/12/92/495531292.db2.gz KSJJISFQEHSULY-LJQANCHMSA-N 0 3 368.437 3.174 20 5 FGBDHN C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000173505250 495563822 /nfs/dbraw/zinc/56/38/22/495563822.db2.gz CUBRSGZHKMHRAH-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000158703533 495571656 /nfs/dbraw/zinc/57/16/56/495571656.db2.gz JFAMTRPNLGTGLA-YLJYHZDGSA-N 0 3 369.465 3.455 20 5 FGBDHN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000158723169 495575942 /nfs/dbraw/zinc/57/59/42/495575942.db2.gz MWONWCWHWLKFKL-JXFKEZNVSA-N 0 3 355.438 3.146 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179466333 495602283 /nfs/dbraw/zinc/60/22/83/495602283.db2.gz GIEAHFUPFNOJEX-QAPCUYQASA-N 0 3 370.409 3.170 20 5 FGBDHN CC[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179487606 495610789 /nfs/dbraw/zinc/61/07/89/495610789.db2.gz YSJTZUWWYBTDDM-ACRUOGEOSA-N 0 3 369.465 3.271 20 5 FGBDHN COc1cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000154420447 495611560 /nfs/dbraw/zinc/61/15/60/495611560.db2.gz HARRDIAUBCOSSG-MRXNPFEDSA-N 0 3 367.405 3.228 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000150936224 495686975 /nfs/dbraw/zinc/68/69/75/495686975.db2.gz YDEIOXUFXCTGQN-ZIAGYGMSSA-N 0 3 357.410 3.074 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000185790834 495726583 /nfs/dbraw/zinc/72/65/83/495726583.db2.gz GSZYIZCEHANVLR-UHFFFAOYSA-N 0 3 361.829 3.290 20 5 FGBDHN COc1cc(CNC2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171128479 495736568 /nfs/dbraw/zinc/73/65/68/495736568.db2.gz IZCYKCVDFIAPMK-UHFFFAOYSA-N 0 3 372.421 3.451 20 5 FGBDHN NC(=O)CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000159771153 495804770 /nfs/dbraw/zinc/80/47/70/495804770.db2.gz WAEIEWNCNAKCRR-UHFFFAOYSA-N 0 3 359.451 3.411 20 5 FGBDHN O=C(NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000176987770 495872983 /nfs/dbraw/zinc/87/29/83/495872983.db2.gz XNJQBERFXXVIDD-UHFFFAOYSA-N 0 3 374.466 3.114 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180198491 495901628 /nfs/dbraw/zinc/90/16/28/495901628.db2.gz XOIPCZFMJDQNAP-FXAWDEMLSA-N 0 3 353.422 3.007 20 5 FGBDHN Cc1[nH]c2ccccc2c1C1=CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000177092490 495921218 /nfs/dbraw/zinc/92/12/18/495921218.db2.gz VVKBOBBYOGHWGL-UHFFFAOYSA-N 0 3 351.410 3.370 20 5 FGBDHN C[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180415086 495986984 /nfs/dbraw/zinc/98/69/84/495986984.db2.gz NPUOKMSEFQRVMD-UGSOOPFHSA-N 0 3 364.829 3.477 20 5 FGBDHN Cc1cc(NCCCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000186409445 495987215 /nfs/dbraw/zinc/98/72/15/495987215.db2.gz RHEATWBZPYSGNI-UHFFFAOYSA-N 0 3 351.428 3.078 20 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496342493 /nfs/dbraw/zinc/34/24/93/496342493.db2.gz SGHUSCDYUCQCEC-ZDUSSCGKSA-N 0 3 371.393 3.171 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000157016393 496386410 /nfs/dbraw/zinc/38/64/10/496386410.db2.gz XIRZIPVXSPCMOX-AWEZNQCLSA-N 0 3 364.833 3.236 20 5 FGBDHN CN(C)Cc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000153259974 496400330 /nfs/dbraw/zinc/40/03/30/496400330.db2.gz BEGJFHPJBPFCRV-UHFFFAOYSA-N 0 3 355.438 3.409 20 5 FGBDHN CN(C(=O)CN[C@H](Cc1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000181549959 496442047 /nfs/dbraw/zinc/44/20/47/496442047.db2.gz GANBCRQNPHNLPT-LJQANCHMSA-N 0 3 353.422 3.169 20 5 FGBDHN COc1ccccc1[C@H](CC(C)C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000181699006 496507858 /nfs/dbraw/zinc/50/78/58/496507858.db2.gz JOIOQGPJZBXLRI-KRWDZBQOSA-N 0 3 359.426 3.142 20 5 FGBDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956874 505854612 /nfs/dbraw/zinc/85/46/12/505854612.db2.gz NYNHDGQCSRTHIU-AEFFLSMTSA-N 0 3 374.437 3.426 20 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496959177 /nfs/dbraw/zinc/95/91/77/496959177.db2.gz OXFIOZMAHFCTSQ-CQSZACIVSA-N 0 3 371.359 3.314 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248136292 496959947 /nfs/dbraw/zinc/95/99/47/496959947.db2.gz XOIPCZFMJDQNAP-XLIONFOSSA-N 0 3 353.422 3.007 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000195717769 496961358 /nfs/dbraw/zinc/96/13/58/496961358.db2.gz BUIFPNFEOPRYBF-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](CO)c1ccccc1 ZINC000269568264 496972145 /nfs/dbraw/zinc/97/21/45/496972145.db2.gz MWXAIZPFMVXPHN-GOSISDBHSA-N 0 3 367.405 3.458 20 5 FGBDHN COc1ccc([C@H](C)N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248374733 496985977 /nfs/dbraw/zinc/98/59/77/496985977.db2.gz SVNPNJKWJYHBQQ-GOEBONIOSA-N 0 3 360.410 3.036 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192141555 497009835 /nfs/dbraw/zinc/00/98/35/497009835.db2.gz BAZKEKDVIVHYDV-FGTMMUONSA-N 0 3 364.348 3.026 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000248851879 497118411 /nfs/dbraw/zinc/11/84/11/497118411.db2.gz OVVHWWBJAPXSRU-FZKQIMNGSA-N 0 3 373.840 3.499 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189483843 497132741 /nfs/dbraw/zinc/13/27/41/497132741.db2.gz PEPOUBOVRWHIJJ-HZPDHXFCSA-N 0 3 372.512 3.022 20 5 FGBDHN COc1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189599917 497177602 /nfs/dbraw/zinc/17/76/02/497177602.db2.gz XJNXPLLSHFFXIO-IUODEOHRSA-N 0 3 362.348 3.177 20 5 FGBDHN COc1cc(CN[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237238903 497209231 /nfs/dbraw/zinc/20/92/31/497209231.db2.gz LFAHUFPNNRZYEU-KRWDZBQOSA-N 0 3 372.421 3.451 20 5 FGBDHN COc1cc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000237258669 497211637 /nfs/dbraw/zinc/21/16/37/497211637.db2.gz FERPLKVOGXJSLZ-MRXNPFEDSA-N 0 3 357.410 3.157 20 5 FGBDHN CCC[C@H](N[C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810864 497220238 /nfs/dbraw/zinc/22/02/38/497220238.db2.gz YWRINFWTIFRXAC-WMZOPIPTSA-N 0 3 355.442 3.485 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249590759 497225989 /nfs/dbraw/zinc/22/59/89/497225989.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 0 3 369.465 3.225 20 5 FGBDHN Cc1cccc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000193195143 497322001 /nfs/dbraw/zinc/32/20/01/497322001.db2.gz YMTVXIZPVWMXAP-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN CN(Cc1ccc(Cl)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315991 497348109 /nfs/dbraw/zinc/34/81/09/497348109.db2.gz NIMMSBWSLRBBDM-HNNXBMFYSA-N 0 3 350.802 3.120 20 5 FGBDHN CCc1cc(N2CCC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000245417533 497396282 /nfs/dbraw/zinc/39/62/82/497396282.db2.gz AAPSCCZVKKTIEJ-RHSMWYFYSA-N 0 3 355.442 3.267 20 5 FGBDHN CN(C)[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275751311 497421440 /nfs/dbraw/zinc/42/14/40/497421440.db2.gz DHQJVDSZCHMKJN-CYBMUJFWSA-N 0 3 371.387 3.148 20 5 FGBDHN CN(CCSCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000193619482 497429093 /nfs/dbraw/zinc/42/90/93/497429093.db2.gz DOBGAUQUYPBZFZ-UHFFFAOYSA-N 0 3 359.451 3.399 20 5 FGBDHN COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000190333849 497439726 /nfs/dbraw/zinc/43/97/26/497439726.db2.gz GBCXSLJAQUMJHR-LIRRHRJNSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000272002560 497508049 /nfs/dbraw/zinc/50/80/49/497508049.db2.gz OKZUXTBFPWFDQY-CABCVRRESA-N 0 3 352.431 3.295 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000267577745 497580851 /nfs/dbraw/zinc/58/08/51/497580851.db2.gz BJFUOPVDUBNLNW-NVXWUHKLSA-N 0 3 360.458 3.234 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246366073 497709485 /nfs/dbraw/zinc/70/94/85/497709485.db2.gz AFJVKPOGWDGVNL-GRDNDAEWSA-N 0 3 363.483 3.018 20 5 FGBDHN COc1cc(CNC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000263677687 497807916 /nfs/dbraw/zinc/80/79/16/497807916.db2.gz LMQFLFMSPBJTLW-INIZCTEOSA-N 0 3 372.421 3.309 20 5 FGBDHN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000364205901 497840296 /nfs/dbraw/zinc/84/02/96/497840296.db2.gz ITYDCDQECNCPCV-UHFFFAOYSA-N 0 3 374.828 3.384 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000299725160 497908693 /nfs/dbraw/zinc/90/86/93/497908693.db2.gz UFKWFQRFTDBWNY-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@H](O)Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000581306201 505956961 /nfs/dbraw/zinc/95/69/61/505956961.db2.gz VJEQWEADDLBBPE-MRXNPFEDSA-N 0 3 372.318 3.446 20 5 FGBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)n1cncn1 ZINC000285334345 498055053 /nfs/dbraw/zinc/05/50/53/498055053.db2.gz UMLFLKPIOGWAHN-SNVBAGLBSA-N 0 3 357.336 3.119 20 5 FGBDHN Cc1cc(N(C)C[C@@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301352297 498070000 /nfs/dbraw/zinc/07/00/00/498070000.db2.gz LSRYYLMNYQRZRG-OAHLLOKOSA-N 0 3 355.442 3.138 20 5 FGBDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000330500032 498143107 /nfs/dbraw/zinc/14/31/07/498143107.db2.gz MLKZKCVQNHGROD-JKSUJKDBSA-N 0 3 365.499 3.010 20 5 FGBDHN COCCO[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578648279 505989693 /nfs/dbraw/zinc/98/96/93/505989693.db2.gz KMICEYLXMUNANC-QGZVFWFLSA-N 0 3 360.410 3.482 20 5 FGBDHN Cc1nc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301662277 498211164 /nfs/dbraw/zinc/21/11/64/498211164.db2.gz NAOYLVSESCAVIS-GJZGRUSLSA-N 0 3 362.474 3.014 20 5 FGBDHN CN(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000301696252 498228823 /nfs/dbraw/zinc/22/88/23/498228823.db2.gz PTSYDHZCHURYLN-CQSZACIVSA-N 0 3 365.231 3.467 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301722343 498239527 /nfs/dbraw/zinc/23/95/27/498239527.db2.gz NOQKMVSJYCAUNM-ZDUSSCGKSA-N 0 3 370.247 3.023 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c2ccncc21 ZINC000301726350 498240561 /nfs/dbraw/zinc/24/05/61/498240561.db2.gz ALNHNKQKRGJKLQ-MRXNPFEDSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cc(N(C)[C@H]2CCN(C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821808 498279980 /nfs/dbraw/zinc/27/99/80/498279980.db2.gz KILQEHNWQPEGCH-PBHICJAKSA-N 0 3 355.442 3.279 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c2ncccc12 ZINC000301831562 498283467 /nfs/dbraw/zinc/28/34/67/498283467.db2.gz SQGGXJBSGGEDGX-INIZCTEOSA-N 0 3 370.453 3.224 20 5 FGBDHN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC(C)(C)C1 ZINC000289772958 498286402 /nfs/dbraw/zinc/28/64/02/498286402.db2.gz LKFZOUGNTPPTSO-HNNXBMFYSA-N 0 3 360.414 3.424 20 5 FGBDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286095669 498290595 /nfs/dbraw/zinc/29/05/95/498290595.db2.gz KUVPZJRBUIMVBH-DETPVDSQSA-N 0 3 367.471 3.194 20 5 FGBDHN CC(C)(C)Oc1cc(N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000301879801 498308455 /nfs/dbraw/zinc/30/84/55/498308455.db2.gz LQOOOCSPFLUZIW-UHFFFAOYSA-N 0 3 356.426 3.494 20 5 FGBDHN CN1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000301893503 498314804 /nfs/dbraw/zinc/31/48/04/498314804.db2.gz APJLBQXIGKUCKD-YVEFUNNKSA-N 0 3 372.454 3.194 20 5 FGBDHN COc1cc(N(C)CC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000301926817 498331276 /nfs/dbraw/zinc/33/12/76/498331276.db2.gz MXAGYRCVCLTKKM-UHFFFAOYSA-N 0 3 356.426 3.351 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000331481640 498345883 /nfs/dbraw/zinc/34/58/83/498345883.db2.gz JOONDPUQUWAMFB-WBMJQRKESA-N 0 3 363.483 3.308 20 5 FGBDHN Cc1cc(-n2ccnc2)ccc1CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273568 498382059 /nfs/dbraw/zinc/38/20/59/498382059.db2.gz ZSRNLLWQKQOYCB-GOSISDBHSA-N 0 3 366.425 3.123 20 5 FGBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365478502 498488885 /nfs/dbraw/zinc/48/88/85/498488885.db2.gz ASGYSPWAELFKLY-OAHLLOKOSA-N 0 3 361.785 3.307 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293805739 498495686 /nfs/dbraw/zinc/49/56/86/498495686.db2.gz AKFKEHKKRVZVKD-MRXNPFEDSA-N 0 3 372.252 3.460 20 5 FGBDHN CCOc1ccc(C(=O)N(CC)CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000581743654 506058472 /nfs/dbraw/zinc/05/84/72/506058472.db2.gz FTCCVLRBHYBLOQ-UHFFFAOYSA-N 0 3 363.458 3.332 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1NCCCN1CCc3ccccc3C1)CCN2 ZINC000302865519 498604306 /nfs/dbraw/zinc/60/43/06/498604306.db2.gz YAZICDVVYSVZIZ-UHFFFAOYSA-N 0 3 352.438 3.423 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912050 498608138 /nfs/dbraw/zinc/60/81/38/498608138.db2.gz TZSNGZFEWIJRKQ-RISCZKNCSA-N 0 3 371.359 3.170 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365739050 498619081 /nfs/dbraw/zinc/61/90/81/498619081.db2.gz HUALFRCZYGEWNH-HOTGVXAUSA-N 0 3 371.462 3.250 20 5 FGBDHN C[C@H](C(=O)NCCCN(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000569998010 506064815 /nfs/dbraw/zinc/06/48/15/506064815.db2.gz LNWHFUKPUZHPPC-INIZCTEOSA-N 0 3 355.438 3.337 20 5 FGBDHN CN(C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000579047765 506082005 /nfs/dbraw/zinc/08/20/05/506082005.db2.gz WGPCOCQZKLANMN-SFHVURJKSA-N 0 3 359.401 3.086 20 5 FGBDHN C[C@H](NCCc1nc2c(cccc2F)n1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294594193 498741392 /nfs/dbraw/zinc/74/13/92/498741392.db2.gz CYULLYPENYZXBJ-NSHDSACASA-N 0 3 357.389 3.096 20 5 FGBDHN CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000363334252 498767101 /nfs/dbraw/zinc/76/71/01/498767101.db2.gz WQFLUSASCGOVTL-UHFFFAOYSA-N 0 3 374.828 3.384 20 5 FGBDHN CC[C@H](NCCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000314755901 498778874 /nfs/dbraw/zinc/77/88/74/498778874.db2.gz JLUQLVWCJWJTMM-AWEZNQCLSA-N 0 3 353.220 3.295 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1cccc(O)c1 ZINC000298590740 498823821 /nfs/dbraw/zinc/82/38/21/498823821.db2.gz KHDHUUZDACIZTP-CYBMUJFWSA-N 0 3 373.409 3.331 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092935 498908006 /nfs/dbraw/zinc/90/80/06/498908006.db2.gz GFCHYPOXSKMDBE-QAPCUYQASA-N 0 3 370.453 3.286 20 5 FGBDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000369884084 499144976 /nfs/dbraw/zinc/14/49/76/499144976.db2.gz XNMQWPVDQVAXEX-GDBMZVCRSA-N 0 3 368.437 3.013 20 5 FGBDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000372741160 499169128 /nfs/dbraw/zinc/16/91/28/499169128.db2.gz PCURPDIYOQJRPB-GOSISDBHSA-N 0 3 371.441 3.111 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCOc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370542698 499230175 /nfs/dbraw/zinc/23/01/75/499230175.db2.gz SQNHMNHYLCINJU-OAHLLOKOSA-N 0 3 369.421 3.057 20 5 FGBDHN Cc1noc(C2CCC(NCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000369669573 499434306 /nfs/dbraw/zinc/43/43/06/499434306.db2.gz BSFJKPFZIJQJFP-UHFFFAOYSA-N 0 3 361.358 3.010 20 5 FGBDHN CC(C)c1nccn1C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231037 499492657 /nfs/dbraw/zinc/49/26/57/499492657.db2.gz REGAIWQBUJYWHP-MSOLQXFVSA-N 0 3 358.442 3.113 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000412008842 499812611 /nfs/dbraw/zinc/81/26/11/499812611.db2.gz MMKOCRHWLUEMTM-IBGZPJMESA-N 0 3 356.422 3.215 20 5 FGBDHN C[C@@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412063809 499818933 /nfs/dbraw/zinc/81/89/33/499818933.db2.gz DCNNBALRFGVXAR-WQVCFCJDSA-N 0 3 363.458 3.494 20 5 FGBDHN CC(C)(C(=O)N1CCCN(CC2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000412312758 499843868 /nfs/dbraw/zinc/84/38/68/499843868.db2.gz ICBHGCVOEPRYPX-UHFFFAOYSA-N 0 3 359.470 3.207 20 5 FGBDHN Cc1cccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000424997487 499986953 /nfs/dbraw/zinc/98/69/53/499986953.db2.gz CEERLFIWCHWDJO-PKOBYXMFSA-N 0 3 365.433 3.250 20 5 FGBDHN CN(C)[C@H](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000416236011 499990047 /nfs/dbraw/zinc/99/00/47/499990047.db2.gz XONXAEJJMSKYES-GOSISDBHSA-N 0 3 369.421 3.009 20 5 FGBDHN CCc1cccc2c1OCC[C@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573317359 506169639 /nfs/dbraw/zinc/16/96/39/506169639.db2.gz GALLOYFGPCMORI-NVXWUHKLSA-N 0 3 372.421 3.010 20 5 FGBDHN COc1cccc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272966 500062006 /nfs/dbraw/zinc/06/20/06/500062006.db2.gz HWZHONDIVFYLBI-FUHWJXTLSA-N 0 3 353.422 3.314 20 5 FGBDHN Cc1cc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000425624257 500163082 /nfs/dbraw/zinc/16/30/82/500163082.db2.gz LZEISMQTPHBLBU-KRWDZBQOSA-N 0 3 353.422 3.426 20 5 FGBDHN Cc1c(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000430298173 500223736 /nfs/dbraw/zinc/22/37/36/500223736.db2.gz JSUBQMKEPXKRNC-QGZVFWFLSA-N 0 3 353.422 3.388 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418447164 500277885 /nfs/dbraw/zinc/27/78/85/500277885.db2.gz ILUOCRSZEKMYAW-GOSISDBHSA-N 0 3 356.426 3.215 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000426876570 500331872 /nfs/dbraw/zinc/33/18/72/500331872.db2.gz SRFXXDGHONECHZ-GOSISDBHSA-N 0 3 369.421 3.170 20 5 FGBDHN CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1[N+](=O)[O-] ZINC000423649375 500392100 /nfs/dbraw/zinc/39/21/00/500392100.db2.gz HZOJXUOYUPBTQW-UHFFFAOYSA-N 0 3 355.394 3.453 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000423686002 500393987 /nfs/dbraw/zinc/39/39/87/500393987.db2.gz YWJNQNDCNGHQOW-KRWDZBQOSA-N 0 3 353.422 3.137 20 5 FGBDHN CN1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000420605200 500476755 /nfs/dbraw/zinc/47/67/55/500476755.db2.gz UMHTVASQNCJZBW-YVEFUNNKSA-N 0 3 374.466 3.250 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(CN2CCOCC2)c1 ZINC000420962301 500542217 /nfs/dbraw/zinc/54/22/17/500542217.db2.gz JXQMCDGVGBRGTN-UHFFFAOYSA-N 0 3 369.465 3.102 20 5 FGBDHN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447539213 500620316 /nfs/dbraw/zinc/62/03/16/500620316.db2.gz FXJCEQXMDOGWMV-IAGOWNOFSA-N 0 3 372.473 3.306 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000447603133 500632594 /nfs/dbraw/zinc/63/25/94/500632594.db2.gz WVCLIWRPFDOCSP-YESZJQIVSA-N 0 3 372.425 3.397 20 5 FGBDHN C[C@@H]1CN(CCCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000433134401 500633169 /nfs/dbraw/zinc/63/31/69/500633169.db2.gz QWINABNMRUEDFE-CLCXKQKWSA-N 0 3 361.486 3.406 20 5 FGBDHN CC1(C)C[C@@H](NC[C@H](O)COc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433160776 500636643 /nfs/dbraw/zinc/63/66/43/500636643.db2.gz POPZUKZZXSXMBE-HNAYVOBHSA-N 0 3 374.412 3.486 20 5 FGBDHN COc1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528240 506207928 /nfs/dbraw/zinc/20/79/28/506207928.db2.gz YFVZZBPVFWVCSY-VQIMIIECSA-N 0 3 359.401 3.278 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(=NCC3CCN(Cc4cccs4)CC3)[nH]c2c1 ZINC000447695674 500647590 /nfs/dbraw/zinc/64/75/90/500647590.db2.gz YCPUSOWFXQDYFR-UHFFFAOYSA-N 0 3 371.466 3.279 20 5 FGBDHN COc1ccc(NC(=O)CCN2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437584677 500664422 /nfs/dbraw/zinc/66/44/22/500664422.db2.gz SUNOJINPKSKTOJ-QGZVFWFLSA-N 0 3 355.394 3.379 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000433900878 500761984 /nfs/dbraw/zinc/76/19/84/500761984.db2.gz KPMWGIXDQOSYFK-PBHICJAKSA-N 0 3 360.458 3.280 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](CCO)c1ccccc1 ZINC000444236214 500822157 /nfs/dbraw/zinc/82/21/57/500822157.db2.gz GSCCJBLELRIZDZ-IBGZPJMESA-N 0 3 371.437 3.287 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000439146494 500863807 /nfs/dbraw/zinc/86/38/07/500863807.db2.gz IORLVOOXPHUAPG-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439174184 500866592 /nfs/dbraw/zinc/86/65/92/500866592.db2.gz VSKYIWOCTNYGMU-KGLIPLIRSA-N 0 3 351.834 3.255 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000602582807 506222837 /nfs/dbraw/zinc/22/28/37/506222837.db2.gz OPOCCDUFNXBWOE-UKRRQHHQSA-N 0 3 360.332 3.041 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000444778618 500898365 /nfs/dbraw/zinc/89/83/65/500898365.db2.gz WUFGUAURTIHBOY-UHFFFAOYSA-N 0 3 370.449 3.291 20 5 FGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000582447937 506226783 /nfs/dbraw/zinc/22/67/83/506226783.db2.gz KWZJFOZNJLMEDB-IBGZPJMESA-N 0 3 354.454 3.476 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](c1nccn1C)C1CCOCC1 ZINC000449315749 500975330 /nfs/dbraw/zinc/97/53/30/500975330.db2.gz JODRLWIHVURGRB-KBXCAEBGSA-N 0 3 358.442 3.017 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccncc1OC[C@H]1CCOC1 ZINC000449328135 500978811 /nfs/dbraw/zinc/97/88/11/500978811.db2.gz IEEJQGZZTJQKFT-HOTGVXAUSA-N 0 3 371.437 3.126 20 5 FGBDHN CC[C@H](CO)N(C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000449374723 500989147 /nfs/dbraw/zinc/98/91/47/500989147.db2.gz CDZPOTPCAUXZJN-QGZVFWFLSA-N 0 3 374.437 3.385 20 5 FGBDHN NC(=O)c1ccc(NCCN2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000440643903 501033349 /nfs/dbraw/zinc/03/33/49/501033349.db2.gz ASSDHOCVXWQZMY-UHFFFAOYSA-N 0 3 360.458 3.152 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000449577095 501037057 /nfs/dbraw/zinc/03/70/57/501037057.db2.gz CJJAKIDSMPMHGF-IRXDYDNUSA-N 0 3 369.465 3.253 20 5 FGBDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000445881601 501045708 /nfs/dbraw/zinc/04/57/08/501045708.db2.gz UNDQVXRYVGBHSW-CYBMUJFWSA-N 0 3 359.348 3.051 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1Cc2ccccc2N(C)C1 ZINC000436420558 501124198 /nfs/dbraw/zinc/12/41/98/501124198.db2.gz ZXQZNIAOMMFNON-HNNXBMFYSA-N 0 3 355.438 3.392 20 5 FGBDHN CC(C)[C@H](c1ccccc1Cl)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441396827 501133102 /nfs/dbraw/zinc/13/31/02/501133102.db2.gz DIKVAYHIEHFEHE-RHSMWYFYSA-N 0 3 366.849 3.135 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000446573343 501135473 /nfs/dbraw/zinc/13/54/73/501135473.db2.gz WDFGMPHYPOQPRA-UHFFFAOYSA-N 0 3 356.426 3.063 20 5 FGBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C2CC2)C[C@@H](C)C1 ZINC000450546493 501150351 /nfs/dbraw/zinc/15/03/51/501150351.db2.gz IIGPDLZFOITNAQ-CYBMUJFWSA-N 0 3 356.426 3.072 20 5 FGBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450024720 501157918 /nfs/dbraw/zinc/15/79/18/501157918.db2.gz QOUCXQSPFIUOKB-GFCCVEGCSA-N 0 3 359.348 3.170 20 5 FGBDHN COc1ccc2c(c1)C[C@@H](NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000446842550 501172493 /nfs/dbraw/zinc/17/24/93/501172493.db2.gz WYZVZYJEBPGQKD-AWEZNQCLSA-N 0 3 352.394 3.127 20 5 FGBDHN O=C(CCN1CCC=C(c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451028476 501240334 /nfs/dbraw/zinc/24/03/34/501240334.db2.gz ZEDVKFMCOXAQMW-UHFFFAOYSA-N 0 3 352.394 3.108 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000453235764 501296220 /nfs/dbraw/zinc/29/62/20/501296220.db2.gz MYRHJFIECXKZDV-HIFRSBDPSA-N 0 3 360.435 3.125 20 5 FGBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1OCCN(C)C ZINC000458192174 501388835 /nfs/dbraw/zinc/38/88/35/501388835.db2.gz GXZZDNMRTZJJDU-UHFFFAOYSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CNC1(Cc2ccccc2)CCOCC1 ZINC000451946334 501405840 /nfs/dbraw/zinc/40/58/40/501405840.db2.gz ZSGMWGSIQBAGIY-UHFFFAOYSA-N 0 3 356.422 3.485 20 5 FGBDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000458883519 501551986 /nfs/dbraw/zinc/55/19/86/501551986.db2.gz BSOFMNUBLPLUTP-UGSOOPFHSA-N 0 3 374.416 3.397 20 5 FGBDHN C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458887545 501552884 /nfs/dbraw/zinc/55/28/84/501552884.db2.gz JQBWURPIRIFKMO-MAUKXSAKSA-N 0 3 360.458 3.316 20 5 FGBDHN CN(Cc1ccccc1)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000452734836 501553382 /nfs/dbraw/zinc/55/33/82/501553382.db2.gz WKEMGMXMSAWWPK-UHFFFAOYSA-N 0 3 367.449 3.308 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000582506770 506262636 /nfs/dbraw/zinc/26/26/36/506262636.db2.gz RPTDALAAMBYSCE-HNAYVOBHSA-N 0 3 353.422 3.296 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](c3ccccc3)N3CCCC3)c2c1 ZINC000611700071 506262890 /nfs/dbraw/zinc/26/28/90/506262890.db2.gz MFZATNZAQJWPRT-IBGZPJMESA-N 0 3 363.421 3.209 20 5 FGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000459673658 501696806 /nfs/dbraw/zinc/69/68/06/501696806.db2.gz JJMPBICTFVBSBK-ROUUACIJSA-N 0 3 353.422 3.462 20 5 FGBDHN COc1ccc([C@H](CO)CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000459726961 501704755 /nfs/dbraw/zinc/70/47/55/501704755.db2.gz DVJQPDZMGPEKMA-AWEZNQCLSA-N 0 3 350.802 3.123 20 5 FGBDHN CN(C)CCOC1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596125160 506270318 /nfs/dbraw/zinc/27/03/18/506270318.db2.gz LMUQOFZNXZSJQR-UHFFFAOYSA-N 0 3 361.364 3.161 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1c2ccccc2C(=O)N1C ZINC000599000417 506270898 /nfs/dbraw/zinc/27/08/98/506270898.db2.gz TVNQMDXBXIGIDP-LMICACPXSA-N 0 3 351.406 3.415 20 5 FGBDHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474336178 501794929 /nfs/dbraw/zinc/79/49/29/501794929.db2.gz ZADVYUBWVOCVRG-SFHVURJKSA-N 0 3 354.410 3.333 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000474356784 501803988 /nfs/dbraw/zinc/80/39/88/501803988.db2.gz ODTRMKUSWPLWRU-HXUWFJFHSA-N 0 3 370.405 3.388 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000467700512 501848695 /nfs/dbraw/zinc/84/86/95/501848695.db2.gz LOCLSRVCLRQYOJ-NVXWUHKLSA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938825 501862155 /nfs/dbraw/zinc/86/21/55/501862155.db2.gz ZTBBULCRNTXLMG-ZYHUDNBSSA-N 0 3 373.331 3.166 20 5 FGBDHN Cc1ccc([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c(C)c1 ZINC000471027254 501896658 /nfs/dbraw/zinc/89/66/58/501896658.db2.gz DRMOHTAROXLNNV-MRXNPFEDSA-N 0 3 353.422 3.300 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000467987891 501923037 /nfs/dbraw/zinc/92/30/37/501923037.db2.gz HNTXYYHQHUQXPC-CYBMUJFWSA-N 0 3 357.410 3.455 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485803561 501943553 /nfs/dbraw/zinc/94/35/53/501943553.db2.gz ORXLOTBQTNJOOO-DOMZBBRYSA-N 0 3 373.434 3.295 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000478475174 501994656 /nfs/dbraw/zinc/99/46/56/501994656.db2.gz KETHVTOQLZPHLY-STQMWFEESA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@@H](CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969286 502007628 /nfs/dbraw/zinc/00/76/28/502007628.db2.gz BMAGZRUXYHCOIZ-WMZOPIPTSA-N 0 3 370.453 3.471 20 5 FGBDHN CO[C@@]1(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOC1 ZINC000461419805 502106909 /nfs/dbraw/zinc/10/69/09/502106909.db2.gz ABPWJYXYUFBLJJ-HXUWFJFHSA-N 0 3 371.437 3.258 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COc1cccc(C)c1 ZINC000468634709 502132456 /nfs/dbraw/zinc/13/24/56/502132456.db2.gz HIEATFKBTPZJPO-SCFJZMLDSA-N 0 3 356.422 3.336 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000468650581 502136164 /nfs/dbraw/zinc/13/61/64/502136164.db2.gz ZQTTZNCGOAFJKF-IUYQLWOBSA-N 0 3 351.406 3.393 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC(=O)NCc1ccccc1 ZINC000468652033 502137053 /nfs/dbraw/zinc/13/70/53/502137053.db2.gz OMYIIXIOTWDYQE-VBKFSLOCSA-N 0 3 353.422 3.294 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464977636 502162158 /nfs/dbraw/zinc/16/21/58/502162158.db2.gz NJONDNSICZARON-MRXNPFEDSA-N 0 3 371.412 3.328 20 5 FGBDHN CC[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000461755789 502192470 /nfs/dbraw/zinc/19/24/70/502192470.db2.gz BZENSKHKGVIPQD-NVXWUHKLSA-N 0 3 351.472 3.289 20 5 FGBDHN C[C@]1(C(N)=O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000475674150 502250431 /nfs/dbraw/zinc/25/04/31/502250431.db2.gz JJFGUOKNCUTIFN-KRWDZBQOSA-N 0 3 363.801 3.206 20 5 FGBDHN Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461974556 502259932 /nfs/dbraw/zinc/25/99/32/502259932.db2.gz PXHMTJXDBQPSEX-CYBMUJFWSA-N 0 3 373.375 3.081 20 5 FGBDHN COC(=O)COc1ccc(CN2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000475726296 502266297 /nfs/dbraw/zinc/26/62/97/502266297.db2.gz SMAXBPDURZYYGJ-OAHLLOKOSA-N 0 3 350.415 3.157 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000462193482 502344055 /nfs/dbraw/zinc/34/40/55/502344055.db2.gz QYWVFCNMAYXIER-FZKQIMNGSA-N 0 3 373.840 3.499 20 5 FGBDHN Cc1c(CNC(=O)Nc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000480070039 502463976 /nfs/dbraw/zinc/46/39/76/502463976.db2.gz HDPPCQSUOORTHI-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000462635318 502515382 /nfs/dbraw/zinc/51/53/82/502515382.db2.gz FSZXABSXQXVCTE-KRWDZBQOSA-N 0 3 373.453 3.347 20 5 FGBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000469794327 502547864 /nfs/dbraw/zinc/54/78/64/502547864.db2.gz PDSIQDDCFOQCNA-DZGCQCFKSA-N 0 3 351.472 3.496 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000462757964 502559196 /nfs/dbraw/zinc/55/91/96/502559196.db2.gz CFYOJEGGSBYOPJ-JFIYKMOQSA-N 0 3 361.486 3.400 20 5 FGBDHN CCS(=O)(=O)c1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000466402754 502559836 /nfs/dbraw/zinc/55/98/36/502559836.db2.gz ANFFMPFXMHCJQB-TWGQIWQCSA-N 0 3 360.435 3.191 20 5 FGBDHN CS[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000473532151 502626216 /nfs/dbraw/zinc/62/62/16/502626216.db2.gz MKPJWALBFHMGAT-DLBZAZTESA-N 0 3 358.467 3.159 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000470130312 502671073 /nfs/dbraw/zinc/67/10/73/502671073.db2.gz BPGBFVLEIPQOIC-KRWDZBQOSA-N 0 3 360.389 3.467 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000463408191 502787332 /nfs/dbraw/zinc/78/73/32/502787332.db2.gz COJGTFQLKDSJMH-IAOVAPTHSA-N 0 3 363.458 3.412 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000463436324 502802116 /nfs/dbraw/zinc/80/21/16/502802116.db2.gz YHJHBSUFPPIVDJ-OAQYLSRUSA-N 0 3 354.450 3.455 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000504896030 502819827 /nfs/dbraw/zinc/81/98/27/502819827.db2.gz WXGXRASYXPNHOL-ZFWWWQNUSA-N 0 3 358.394 3.484 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000509139226 502831070 /nfs/dbraw/zinc/83/10/70/502831070.db2.gz NVNLIIMLJWVGSC-HNNXBMFYSA-N 0 3 363.483 3.406 20 5 FGBDHN Cc1cc(NCC2(O)CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC000596274617 506337433 /nfs/dbraw/zinc/33/74/33/506337433.db2.gz VIIJYCDRFMFTHM-UHFFFAOYSA-N 0 3 361.467 3.404 20 5 FGBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000505574424 502938687 /nfs/dbraw/zinc/93/86/87/502938687.db2.gz IWLWSIINGJQIRO-ORAYPTAESA-N 0 3 359.401 3.084 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000501227838 502962330 /nfs/dbraw/zinc/96/23/30/502962330.db2.gz LRKWHLLQZDSVGQ-NVXWUHKLSA-N 0 3 353.422 3.469 20 5 FGBDHN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000593029868 506345791 /nfs/dbraw/zinc/34/57/91/506345791.db2.gz VCZNQYDKMOXCLS-OAHLLOKOSA-N 0 3 350.415 3.161 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000513716104 503007224 /nfs/dbraw/zinc/00/72/24/503007224.db2.gz XIJKDEOUAJKDFZ-NWDGAFQWSA-N 0 3 371.384 3.189 20 5 FGBDHN CC(C)CN1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506069954 503041471 /nfs/dbraw/zinc/04/14/71/503041471.db2.gz FVIJAMDQIJJOGF-UHFFFAOYSA-N 0 3 360.483 3.492 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)CCCc2cccnc2)c1 ZINC000593033075 506349200 /nfs/dbraw/zinc/34/92/00/506349200.db2.gz GZVTULBPNZPDSH-AWEZNQCLSA-N 0 3 357.410 3.277 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914081 503063811 /nfs/dbraw/zinc/06/38/11/503063811.db2.gz PCXCGKRZIVMPNO-BORJPKMPSA-N 0 3 360.458 3.028 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC2CCOCC2)CC1 ZINC000514222734 503117971 /nfs/dbraw/zinc/11/79/71/503117971.db2.gz QJOWKFOZIJVAFY-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN C[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000514232454 503120106 /nfs/dbraw/zinc/12/01/06/503120106.db2.gz MBPCZQWZMHLWHU-HZPDHXFCSA-N 0 3 353.422 3.408 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000510528525 503135076 /nfs/dbraw/zinc/13/50/76/503135076.db2.gz XJPVJKMZSFYQKS-YWZLYKJASA-N 0 3 371.437 3.090 20 5 FGBDHN CNc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)cccc1[N+](=O)[O-] ZINC000510553989 503143604 /nfs/dbraw/zinc/14/36/04/503143604.db2.gz SDTTXJRWSVBFEC-LIRRHRJNSA-N 0 3 370.453 3.366 20 5 FGBDHN 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494659260 /nfs/dbraw/zinc/65/92/60/494659260.db2.gz AXDIWSCKDUTFOQ-CQSZACIVSA-N 0 3 351.838 3.259 20 5 FGBDHN CN1CCN(Cc2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272515 494670642 /nfs/dbraw/zinc/67/06/42/494670642.db2.gz MFSCJJDAGNMSHB-UHFFFAOYSA-N 0 3 358.417 3.093 20 5 FGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133978 494774725 /nfs/dbraw/zinc/77/47/25/494774725.db2.gz XJNMYVMCLXLIJL-LJQANCHMSA-N 0 3 374.485 3.264 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017671 494810235 /nfs/dbraw/zinc/81/02/35/494810235.db2.gz CNRNWHPYSQSHEJ-SFHVURJKSA-N 0 3 361.486 3.262 20 5 FGBDHN COc1cccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000026221996 494810606 /nfs/dbraw/zinc/81/06/06/494810606.db2.gz NSTMGCVPIDBECS-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN CCOc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026223081 494811616 /nfs/dbraw/zinc/81/16/16/494811616.db2.gz JQCMBMPVZYZSOK-UHFFFAOYSA-N 0 3 357.410 3.454 20 5 FGBDHN C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000127484061 494951184 /nfs/dbraw/zinc/95/11/84/494951184.db2.gz FQDXMYQHAUMIEZ-HNNXBMFYSA-N 0 3 362.451 3.251 20 5 FGBDHN NC(=O)CC[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000122715820 495020318 /nfs/dbraw/zinc/02/03/18/495020318.db2.gz JTICRFJMBSPXBR-CQSZACIVSA-N 0 3 357.410 3.332 20 5 FGBDHN O=C1[C@H](N[C@@H](c2ccccc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128100980 495044479 /nfs/dbraw/zinc/04/44/79/495044479.db2.gz UESIVNYTNAIBOL-MOPGFXCFSA-N 0 3 351.406 3.441 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000133689997 495046962 /nfs/dbraw/zinc/04/69/62/495046962.db2.gz UJOOEZBGLHAXFZ-OCCSQVGLSA-N 0 3 366.364 3.272 20 5 FGBDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226990 495050152 /nfs/dbraw/zinc/05/01/52/495050152.db2.gz AMACCMPVBFWURO-NEPJUHHUSA-N 0 3 363.414 3.161 20 5 FGBDHN NC(=O)c1ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000111306085 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O=C(NC1CCCCC1)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000113351906 495299056 /nfs/dbraw/zinc/29/90/56/495299056.db2.gz MRVVBCKNVUNYKI-UHFFFAOYSA-N 0 3 360.458 3.191 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000129890171 495310536 /nfs/dbraw/zinc/31/05/36/495310536.db2.gz VMEBOCYSQLMALG-DNVCBOLYSA-N 0 3 367.449 3.225 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000129886027 495310913 /nfs/dbraw/zinc/31/09/13/495310913.db2.gz WGENLGPAWRRYFM-UHFFFAOYSA-N 0 3 352.394 3.068 20 5 FGBDHN CNC(=O)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120284901 495343371 /nfs/dbraw/zinc/34/33/71/495343371.db2.gz SZRWTPKWUCZNHB-UHFFFAOYSA-N 0 3 365.817 3.370 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000120516331 495395735 /nfs/dbraw/zinc/39/57/35/495395735.db2.gz WEZUBKNYOPQNAG-OALUTQOASA-N 0 3 374.462 3.294 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(c4nnc[nH]4)CC3)o2)c1 ZINC000130714518 495433994 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FGBDHN COc1cc(C)c([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179627060 495667198 /nfs/dbraw/zinc/66/71/98/495667198.db2.gz AMFZKFPSBBAGGJ-DYVFJYSZSA-N 0 3 360.410 3.305 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182891385 495744742 /nfs/dbraw/zinc/74/47/42/495744742.db2.gz BSOWBSHKLIGASN-MJGOQNOKSA-N 0 3 360.502 3.066 20 5 FGBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000173970869 495769587 /nfs/dbraw/zinc/76/95/87/495769587.db2.gz XFWASOQXTMMAQW-CQSZACIVSA-N 0 3 373.375 3.218 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(C)cc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000151361597 495815457 /nfs/dbraw/zinc/81/54/57/495815457.db2.gz WOHOCMXRYOHPDC-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CC(C)N(CCN(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151808101 495955042 /nfs/dbraw/zinc/95/50/42/495955042.db2.gz HEHAWFDUIINTNW-UHFFFAOYSA-N 0 3 362.455 3.131 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183401074 495966059 /nfs/dbraw/zinc/96/60/59/495966059.db2.gz NFWRALXJIJSSHN-CQSZACIVSA-N 0 3 359.401 3.432 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000151978878 496011411 /nfs/dbraw/zinc/01/14/11/496011411.db2.gz CJUGKLBWEVSDQG-GASCZTMLSA-N 0 3 351.447 3.043 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1O ZINC000174627355 496038463 /nfs/dbraw/zinc/03/84/63/496038463.db2.gz RDLVZAWOBIEHQB-UHFFFAOYSA-N 0 3 373.409 3.078 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183592489 496041173 /nfs/dbraw/zinc/04/11/73/496041173.db2.gz LFKZBYJXCCEDNP-ZDUSSCGKSA-N 0 3 357.414 3.241 20 5 FGBDHN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183610742 496047443 /nfs/dbraw/zinc/04/74/43/496047443.db2.gz RHNDMYLQKBRYEF-INIZCTEOSA-N 0 3 369.425 3.118 20 5 FGBDHN COC(=O)[C@H](C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000177413116 496052964 /nfs/dbraw/zinc/05/29/64/496052964.db2.gz LSLPVNUUAWSOJR-KDOFPFPSSA-N 0 3 358.394 3.114 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000183647344 496061832 /nfs/dbraw/zinc/06/18/32/496061832.db2.gz LOZICFHWNFPNKG-GOEBONIOSA-N 0 3 369.425 3.164 20 5 FGBDHN O=C(CCN1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186623942 496078220 /nfs/dbraw/zinc/07/82/20/496078220.db2.gz UAOFIXZZHJERMC-FQEVSTJZSA-N 0 3 367.405 3.055 20 5 FGBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC000174802857 496112941 /nfs/dbraw/zinc/11/29/41/496112941.db2.gz MKYDYZJCGZDNCH-UHFFFAOYSA-N 0 3 369.421 3.467 20 5 FGBDHN CC(C)(C)Oc1cc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000152489451 496166043 /nfs/dbraw/zinc/16/60/43/496166043.db2.gz LIUBFAFQWZMUQC-UHFFFAOYSA-N 0 3 363.458 3.073 20 5 FGBDHN CC(C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000180869315 496179623 /nfs/dbraw/zinc/17/96/23/496179623.db2.gz IUHXKTDJAHNRHR-AWEZNQCLSA-N 0 3 366.364 3.138 20 5 FGBDHN COc1cc(CN(C)C2CCC(CO)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000156263866 496201788 /nfs/dbraw/zinc/20/17/88/496201788.db2.gz FKLJTPYPMRLEGP-UHFFFAOYSA-N 0 3 374.384 3.188 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccsc2)CC1 ZINC000186915841 496208566 /nfs/dbraw/zinc/20/85/66/496208566.db2.gz HHLHMZWLBNXQBW-INIZCTEOSA-N 0 3 362.451 3.276 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000152748987 496244286 /nfs/dbraw/zinc/24/42/86/496244286.db2.gz AWVMXMRQLOQMNA-ACJLOTCBSA-N 0 3 360.410 3.386 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2c1cccc2O ZINC000569030258 505833390 /nfs/dbraw/zinc/83/33/90/505833390.db2.gz XKDCPMVMFCBAEL-SJCJKPOMSA-N 0 3 355.394 3.295 20 5 FGBDHN Cn1cc(CNC[C@@](C)(O)c2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153029844 496331470 /nfs/dbraw/zinc/33/14/70/496331470.db2.gz WNDSUDXQUDMFOP-GOSISDBHSA-N 0 3 372.450 3.054 20 5 FGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181307496 496347862 /nfs/dbraw/zinc/34/78/62/496347862.db2.gz YKLKOTBFRNTGDI-AWEZNQCLSA-N 0 3 371.393 3.281 20 5 FGBDHN Nc1c(C(=O)Nc2cccc(CN3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000178164569 496352979 /nfs/dbraw/zinc/35/29/79/496352979.db2.gz PRONJDMAWVIWAL-UHFFFAOYSA-N 0 3 354.410 3.415 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181541454 496438033 /nfs/dbraw/zinc/43/80/33/496438033.db2.gz HIOBRTSWWGFKNQ-KBPBESRZSA-N 0 3 357.410 3.324 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000172981845 496508723 /nfs/dbraw/zinc/50/87/23/496508723.db2.gz XZQNGUDBMHUYHF-IBGZPJMESA-N 0 3 355.438 3.119 20 5 FGBDHN COC[C@](C)(CCO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000175857617 496575619 /nfs/dbraw/zinc/57/56/19/496575619.db2.gz UNQQGVMWOBYOPZ-KRWDZBQOSA-N 0 3 350.440 3.200 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173163277 496576155 /nfs/dbraw/zinc/57/61/55/496576155.db2.gz GUCGUCPNYQAMNL-QGZVFWFLSA-N 0 3 367.449 3.260 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](Cc1ccccc1)c1cccs1 ZINC000184998344 496616348 /nfs/dbraw/zinc/61/63/48/496616348.db2.gz VEMZCFOXLBEZLM-QGZVFWFLSA-N 0 3 369.446 3.392 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182098853 496669375 /nfs/dbraw/zinc/66/93/75/496669375.db2.gz ZBOVSUPFSBOPCF-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN C[C@@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173408977 496679986 /nfs/dbraw/zinc/67/99/86/496679986.db2.gz ZGEQJAUCRYSQLO-XLIONFOSSA-N 0 3 369.465 3.189 20 5 FGBDHN C[C@H](C(=O)N1CCC[C@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185177828 496692967 /nfs/dbraw/zinc/69/29/67/496692967.db2.gz KMHHCLVGNXTDPP-HOCLYGCPSA-N 0 3 363.433 3.314 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000182175038 496697724 /nfs/dbraw/zinc/69/77/24/496697724.db2.gz OCAUBQKJORMFMO-STQMWFEESA-N 0 3 350.802 3.339 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185194750 496699793 /nfs/dbraw/zinc/69/97/93/496699793.db2.gz RCSNSOAWVUMZGZ-DLBZAZTESA-N 0 3 350.415 3.145 20 5 FGBDHN CS(=O)(=O)CCCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185208255 496704032 /nfs/dbraw/zinc/70/40/32/496704032.db2.gz DCIBUHQPORTFAT-UHFFFAOYSA-N 0 3 366.439 3.159 20 5 FGBDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000182253397 496720716 /nfs/dbraw/zinc/72/07/16/496720716.db2.gz MIWTYBWBEGJMSL-FZKQIMNGSA-N 0 3 359.401 3.257 20 5 FGBDHN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182356767 496731462 /nfs/dbraw/zinc/73/14/62/496731462.db2.gz CVTXTZMIZBFAIY-GXTWGEPZSA-N 0 3 374.384 3.295 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000580919264 505867481 /nfs/dbraw/zinc/86/74/81/505867481.db2.gz PHBIVPIUJGTIEX-VPZZIHKRSA-N 0 3 355.394 3.424 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1cccs1 ZINC000191788895 496889752 /nfs/dbraw/zinc/88/97/52/496889752.db2.gz XEGLTYKZJLBNFS-SJKOYZFVSA-N 0 3 374.466 3.051 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000195335455 496893559 /nfs/dbraw/zinc/89/35/59/496893559.db2.gz WMMLSRBUBTUZFG-KRWDZBQOSA-N 0 3 373.457 3.377 20 5 FGBDHN COc1cc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625137 497062967 /nfs/dbraw/zinc/06/29/67/497062967.db2.gz NODIEYMCLHIFSU-SUMWQHHRSA-N 0 3 363.433 3.191 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)cs1 ZINC000192354681 497086957 /nfs/dbraw/zinc/08/69/57/497086957.db2.gz OHDUNAOQRHXLLE-KRWDZBQOSA-N 0 3 361.467 3.037 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000248836334 497115481 /nfs/dbraw/zinc/11/54/81/497115481.db2.gz NBIPCDJAMOZPHB-CXAGYDPISA-N 0 3 373.840 3.499 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000578205253 505886456 /nfs/dbraw/zinc/88/64/56/505886456.db2.gz KRXNBJSECLIOSZ-LRDDRELGSA-N 0 3 358.829 3.499 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)CCC2 ZINC000278762654 497213130 /nfs/dbraw/zinc/21/31/30/497213130.db2.gz OSWHMSJFCOLKRG-DBVUQKKJSA-N 0 3 356.422 3.046 20 5 FGBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(CN(C)C)c1 ZINC000279153856 497351022 /nfs/dbraw/zinc/35/10/22/497351022.db2.gz HNILNFJNGQHZKJ-UHFFFAOYSA-N 0 3 374.416 3.422 20 5 FGBDHN O=C1C[C@@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CN1 ZINC000279333549 497409742 /nfs/dbraw/zinc/40/97/42/497409742.db2.gz DJAITUJKNQTQQF-SFHVURJKSA-N 0 3 357.435 3.035 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000266901635 497441546 /nfs/dbraw/zinc/44/15/46/497441546.db2.gz UGQSUDBOYCXZSJ-CYBMUJFWSA-N 0 3 359.451 3.282 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261856502 497462773 /nfs/dbraw/zinc/46/27/73/497462773.db2.gz WANLIUQBPBWMOT-DOPJRALCSA-N 0 3 371.462 3.029 20 5 FGBDHN CCOc1cc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883130 497678673 /nfs/dbraw/zinc/67/86/73/497678673.db2.gz JCRWQWSXLFWHSS-HNNXBMFYSA-N 0 3 371.441 3.369 20 5 FGBDHN CCOc1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000276883130 497678678 /nfs/dbraw/zinc/67/86/78/497678678.db2.gz JCRWQWSXLFWHSS-HNNXBMFYSA-N 0 3 371.441 3.369 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000194518077 497692595 /nfs/dbraw/zinc/69/25/95/497692595.db2.gz FCYAGPDTMSMOMX-UHFFFAOYSA-N 0 3 362.411 3.323 20 5 FGBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268378800 497737219 /nfs/dbraw/zinc/73/72/19/497737219.db2.gz NOXXPFHVDDBXGL-ZWNOBZJWSA-N 0 3 359.348 3.072 20 5 FGBDHN COc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000296358086 498010663 /nfs/dbraw/zinc/01/06/63/498010663.db2.gz RZPDZVCGGINKOW-VCTAVGKDSA-N 0 3 372.368 3.108 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000364623431 498056281 /nfs/dbraw/zinc/05/62/81/498056281.db2.gz GKYWDALBBNIKSA-GUYCJALGSA-N 0 3 359.451 3.388 20 5 FGBDHN C[C@H]1CN(CCC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301594125 498179192 /nfs/dbraw/zinc/17/91/92/498179192.db2.gz YLGTUCXUCDMKGZ-GJZGRUSLSA-N 0 3 365.449 3.450 20 5 FGBDHN COc1cc(CN[C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000292923586 498196880 /nfs/dbraw/zinc/19/68/80/498196880.db2.gz BZQSEGCHXSGICG-OAHLLOKOSA-N 0 3 374.384 3.092 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)cc1Cl ZINC000301638939 498200638 /nfs/dbraw/zinc/20/06/38/498200638.db2.gz AQBXTYBUWDFJQR-UHFFFAOYSA-N 0 3 353.806 3.074 20 5 FGBDHN Cc1ccc(SCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000569711086 505998765 /nfs/dbraw/zinc/99/87/65/505998765.db2.gz LHYXDZDMUKQIJA-MRXNPFEDSA-N 0 3 362.451 3.025 20 5 FGBDHN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000301703331 498230348 /nfs/dbraw/zinc/23/03/48/498230348.db2.gz UNMIAADZSPDFQQ-GHMZBOCLSA-N 0 3 357.252 3.285 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000285903178 498235640 /nfs/dbraw/zinc/23/56/40/498235640.db2.gz RZJMDWDNEBZCJZ-IAQYHMDHSA-N 0 3 371.359 3.312 20 5 FGBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285930589 498245141 /nfs/dbraw/zinc/24/51/41/498245141.db2.gz UFUCJSPXGNQKCD-OAQYLSRUSA-N 0 3 365.433 3.333 20 5 FGBDHN CCC[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000572588717 506005127 /nfs/dbraw/zinc/00/51/27/506005127.db2.gz HOOJBGQTPQSDAN-MRXNPFEDSA-N 0 3 354.472 3.383 20 5 FGBDHN Cc1cc(N(C)[C@H]2CCN(C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821811 498280583 /nfs/dbraw/zinc/28/05/83/498280583.db2.gz KILQEHNWQPEGCH-YOEHRIQHSA-N 0 3 355.442 3.279 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157590 498405370 /nfs/dbraw/zinc/40/53/70/498405370.db2.gz TZACIOLMKYCFEW-LPHOPBHVSA-N 0 3 370.453 3.041 20 5 FGBDHN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN(C2CCC2)C1 ZINC000293588260 498421061 /nfs/dbraw/zinc/42/10/61/498421061.db2.gz BRVRAVMQBPABBX-CYBMUJFWSA-N 0 3 357.410 3.287 20 5 FGBDHN Cc1cc(NCCNC(=O)c2cccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302188935 498435056 /nfs/dbraw/zinc/43/50/56/498435056.db2.gz QIQBDLKOACITCE-UHFFFAOYSA-N 0 3 356.407 3.355 20 5 FGBDHN COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000290229815 498474325 /nfs/dbraw/zinc/47/43/25/498474325.db2.gz ROQAUHZGPXPURA-VBKZILBWSA-N 0 3 374.437 3.256 20 5 FGBDHN CN1CC[C@@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000293841301 498507563 /nfs/dbraw/zinc/50/75/63/498507563.db2.gz IZGSXUHHUDCLHC-JOCHJYFZSA-N 0 3 361.445 3.261 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000293924870 498534287 /nfs/dbraw/zinc/53/42/87/498534287.db2.gz ISUYGTKVNCSHJE-KBXCAEBGSA-N 0 3 363.483 3.020 20 5 FGBDHN COc1ccc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000287064718 498612892 /nfs/dbraw/zinc/61/28/92/498612892.db2.gz VFIQGQDPVJAPEW-CXAGYDPISA-N 0 3 360.410 3.305 20 5 FGBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365746985 498623451 /nfs/dbraw/zinc/62/34/51/498623451.db2.gz OVDLNLXAOKMIKJ-OALUTQOASA-N 0 3 365.433 3.189 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000298019319 498639053 /nfs/dbraw/zinc/63/90/53/498639053.db2.gz RFYJABDCDOHGPE-HNAYVOBHSA-N 0 3 360.458 3.092 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298246360 498708183 /nfs/dbraw/zinc/70/81/83/498708183.db2.gz JTQHCSFAOLDTPU-ZBFHGGJFSA-N 0 3 353.369 3.209 20 5 FGBDHN CC(C)(NCCC(=O)N1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000298347999 498739074 /nfs/dbraw/zinc/73/90/74/498739074.db2.gz MKCZPMNXXAZJMD-UHFFFAOYSA-N 0 3 373.478 3.456 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000283001655 498741536 /nfs/dbraw/zinc/74/15/36/498741536.db2.gz NYLKFLDHRCOHJR-QGZVFWFLSA-N 0 3 354.410 3.299 20 5 FGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651822 498754717 /nfs/dbraw/zinc/75/47/17/498754717.db2.gz UTOWKQHTWZASQD-KGLIPLIRSA-N 0 3 351.834 3.255 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000366142752 498794981 /nfs/dbraw/zinc/79/49/81/498794981.db2.gz HEJXOPDFMSQFLH-CRAIPNDOSA-N 0 3 368.437 3.287 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000324570238 498829199 /nfs/dbraw/zinc/82/91/99/498829199.db2.gz WHCHXKNSFUHFGG-CYBMUJFWSA-N 0 3 371.220 3.431 20 5 FGBDHN CC(C)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291423781 498934566 /nfs/dbraw/zinc/93/45/66/498934566.db2.gz GJSVWAWMDSCWAP-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000291438685 498940339 /nfs/dbraw/zinc/94/03/39/498940339.db2.gz HUGDZMKRFYKDEU-MWLCHTKSSA-N 0 3 360.241 3.456 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295406803 499007075 /nfs/dbraw/zinc/00/70/75/499007075.db2.gz WAVRMWVEFNHYRQ-AAEUAGOBSA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000283962078 499020959 /nfs/dbraw/zinc/02/09/59/499020959.db2.gz GDQIMPNITUZDKB-RYUDHWBXSA-N 0 3 354.410 3.108 20 5 FGBDHN CN1CCC(Oc2ccc(CNCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000284197868 499066391 /nfs/dbraw/zinc/06/63/91/499066391.db2.gz YTKVFDMOCDOLSD-UHFFFAOYSA-N 0 3 355.438 3.358 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000295752083 499094526 /nfs/dbraw/zinc/09/45/26/499094526.db2.gz OICZMJUMQIZUNV-SWLSCSKDSA-N 0 3 351.834 3.255 20 5 FGBDHN C[C@@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372785977 499175180 /nfs/dbraw/zinc/17/51/80/499175180.db2.gz WMRWIGZJLUWWGR-CQSZACIVSA-N 0 3 369.421 3.256 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000370101234 499180675 /nfs/dbraw/zinc/18/06/75/499180675.db2.gz JWTKDESLKWYZHO-HOCLYGCPSA-N 0 3 373.457 3.047 20 5 FGBDHN CN1CCN(CC2(C)CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000367348906 499185888 /nfs/dbraw/zinc/18/58/88/499185888.db2.gz QBIXFVUWOGRKQZ-UHFFFAOYSA-N 0 3 366.893 3.102 20 5 FGBDHN C[C@H](NC1(C2CC2)CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000367565901 499213075 /nfs/dbraw/zinc/21/30/75/499213075.db2.gz NTRQKSNPUASRHK-NSHDSACASA-N 0 3 367.833 3.124 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000370582173 499233338 /nfs/dbraw/zinc/23/33/38/499233338.db2.gz IISGOJJSIXITGQ-NVXWUHKLSA-N 0 3 368.437 3.115 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000367892734 499242469 /nfs/dbraw/zinc/24/24/69/499242469.db2.gz SFCMAEKBRGZQLP-IBGZPJMESA-N 0 3 357.410 3.050 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202018 499273803 /nfs/dbraw/zinc/27/38/03/499273803.db2.gz PDPSSRSTERWECO-SOVGHPHASA-N 0 3 371.412 3.051 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000368592288 499311798 /nfs/dbraw/zinc/31/17/98/499311798.db2.gz KRRCSZDOWMXRDX-LJQANCHMSA-N 0 3 374.529 3.178 20 5 FGBDHN Cn1ccnc1[C@@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666761 499352928 /nfs/dbraw/zinc/35/29/28/499352928.db2.gz WTESDMUCRRWHGI-APWZRJJASA-N 0 3 369.469 3.024 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000576377866 506143402 /nfs/dbraw/zinc/14/34/02/506143402.db2.gz ASDDIEFSWXJBTL-CQSZACIVSA-N 0 3 372.425 3.099 20 5 FGBDHN COc1cccc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000369332554 499392247 /nfs/dbraw/zinc/39/22/47/499392247.db2.gz WFSBYNNLYBEENY-YJBOKZPZSA-N 0 3 356.426 3.128 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000381029006 499544470 /nfs/dbraw/zinc/54/44/70/499544470.db2.gz WMDSQXIPQAFWQX-MSOLQXFVSA-N 0 3 369.469 3.078 20 5 FGBDHN CNc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000390713149 499554990 /nfs/dbraw/zinc/55/49/90/499554990.db2.gz BFCNHYBJPQBWMT-KRWDZBQOSA-N 0 3 368.437 3.031 20 5 FGBDHN C[C@H](NCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000390909744 499556254 /nfs/dbraw/zinc/55/62/54/499556254.db2.gz NRDVZYAZFKPTLO-SFHVURJKSA-N 0 3 368.481 3.063 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015637 499566367 /nfs/dbraw/zinc/56/63/67/499566367.db2.gz WFDKQBQYSSEZAJ-WMLDXEAASA-N 0 3 368.437 3.029 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCCN(c3ccncn3)C1)CCC2 ZINC000376464431 499610689 /nfs/dbraw/zinc/61/06/89/499610689.db2.gz QWDRREOJUPMOIQ-YJBOKZPZSA-N 0 3 353.426 3.021 20 5 FGBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000376729116 499632451 /nfs/dbraw/zinc/63/24/51/499632451.db2.gz OELLTQSJEIVSFH-OTYXRUKQSA-N 0 3 358.225 3.068 20 5 FGBDHN C[C@H]1C[C@H](c2cccnc2)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411522914 499750962 /nfs/dbraw/zinc/75/09/62/499750962.db2.gz GLLOGJMJGXOPNW-KBXCAEBGSA-N 0 3 354.410 3.402 20 5 FGBDHN COc1cc(CNC[C@@H]2C[C@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414518059 499801908 /nfs/dbraw/zinc/80/19/08/499801908.db2.gz ROKNYFNZMJDBFH-TUAOUCFPSA-N 0 3 374.384 3.150 20 5 FGBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000412086266 499821822 /nfs/dbraw/zinc/82/18/22/499821822.db2.gz BJMKBIWQDYEWRN-UIAACRFSSA-N 0 3 367.449 3.335 20 5 FGBDHN CSC1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCN(C)CC1 ZINC000413307379 499940037 /nfs/dbraw/zinc/94/00/37/499940037.db2.gz HIPWJOIPQSYUIG-UHFFFAOYSA-N 0 3 364.393 3.248 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425005732 499991122 /nfs/dbraw/zinc/99/11/22/499991122.db2.gz LPSIYHXOXQLFEL-HNAYVOBHSA-N 0 3 369.396 3.080 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429120101 500006415 /nfs/dbraw/zinc/00/64/15/500006415.db2.gz CJIKLPZEXVFDKC-OAHLLOKOSA-N 0 3 352.847 3.311 20 5 FGBDHN CC[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421391850 500035544 /nfs/dbraw/zinc/03/55/44/500035544.db2.gz UPHCUWBBXAZIHQ-STQMWFEESA-N 0 3 374.384 3.295 20 5 FGBDHN CCOc1cc(CN2CC[C@H](C(=O)OC)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000429364988 500061011 /nfs/dbraw/zinc/06/10/11/500061011.db2.gz HHUIJTMTUYHPOI-YOEHRIQHSA-N 0 3 350.415 3.013 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)c1 ZINC000425600670 500158033 /nfs/dbraw/zinc/15/80/33/500158033.db2.gz DHYHNNRIKXZSTH-MRXNPFEDSA-N 0 3 353.422 3.426 20 5 FGBDHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1[C@H](C)CC[C@@H]1C ZINC000427605680 500410711 /nfs/dbraw/zinc/41/07/11/500410711.db2.gz BYSFCKNLYIDCJE-GRYCIOLGSA-N 0 3 373.375 3.491 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000423949665 500422969 /nfs/dbraw/zinc/42/29/69/500422969.db2.gz XRKRPHXXIQJQGL-KRWDZBQOSA-N 0 3 361.829 3.169 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423983371 500429968 /nfs/dbraw/zinc/42/99/68/500429968.db2.gz SWYRBVOESXTMKX-QGZVFWFLSA-N 0 3 368.437 3.161 20 5 FGBDHN COc1cccc(C2(C[NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])CC2)c1 ZINC000573487888 506202992 /nfs/dbraw/zinc/20/29/92/506202992.db2.gz ABLDPYUUKCGDCO-UHFFFAOYSA-N 0 3 358.394 3.139 20 5 FGBDHN CCCCn1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)n1 ZINC000447573533 500627725 /nfs/dbraw/zinc/62/77/25/500627725.db2.gz ICCUNACXVSHWQZ-IAGOWNOFSA-N 0 3 360.462 3.370 20 5 FGBDHN CC1(C)C[C@H](NCCNC(=O)c2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433154907 500635846 /nfs/dbraw/zinc/63/58/46/500635846.db2.gz VLJGKTSDBLUSMY-SFHVURJKSA-N 0 3 371.412 3.476 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000438337343 500772479 /nfs/dbraw/zinc/77/24/79/500772479.db2.gz YFTVBLRSEHSFNI-GOSISDBHSA-N 0 3 360.410 3.456 20 5 FGBDHN Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000443999393 500790152 /nfs/dbraw/zinc/79/01/52/500790152.db2.gz SUXWLMSTBKEXRB-ALCCZGGFSA-N 0 3 360.435 3.110 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000434494050 500851496 /nfs/dbraw/zinc/85/14/96/500851496.db2.gz WOICZLJOQGPSAN-SFHVURJKSA-N 0 3 374.412 3.295 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000434684930 500879492 /nfs/dbraw/zinc/87/94/92/500879492.db2.gz LWMDFTARMXEFRD-UHFFFAOYSA-N 0 3 370.453 3.386 20 5 FGBDHN CSc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000439483091 500903521 /nfs/dbraw/zinc/90/35/21/500903521.db2.gz DYVPCXXCGCVVQD-UKRRQHHQSA-N 0 3 362.451 3.407 20 5 FGBDHN CN(C)CCN(Cc1ccccc1F)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434948420 500914835 /nfs/dbraw/zinc/91/48/35/500914835.db2.gz VMTDXPUPMWBWGG-UHFFFAOYSA-N 0 3 352.797 3.351 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000449104048 500925788 /nfs/dbraw/zinc/92/57/88/500925788.db2.gz SVKTVINZFSDDMR-CRAIPNDOSA-N 0 3 355.438 3.335 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000449272916 500963642 /nfs/dbraw/zinc/96/36/42/500963642.db2.gz XFYJFSXFOBKBFS-YJBOKZPZSA-N 0 3 359.470 3.439 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccncc1OCC(F)F ZINC000449305813 500971909 /nfs/dbraw/zinc/97/19/09/500971909.db2.gz UHXVCERTTGQVNO-GFCCVEGCSA-N 0 3 351.353 3.355 20 5 FGBDHN CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449501747 501019458 /nfs/dbraw/zinc/01/94/58/501019458.db2.gz WBPKKNZAHKMYHJ-KSSFIOAISA-N 0 3 358.442 3.242 20 5 FGBDHN COc1cccc([C@H]2C[C@H]([NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2)c1 ZINC000449614285 501043842 /nfs/dbraw/zinc/04/38/42/501043842.db2.gz GBMJGJYLYIHVSX-CTYIDZIISA-N 0 3 358.394 3.353 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440943641 501067025 /nfs/dbraw/zinc/06/70/25/501067025.db2.gz IZBWARPFVHCXHI-IAGOWNOFSA-N 0 3 361.442 3.264 20 5 FGBDHN Cc1nc(N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347264 501096671 /nfs/dbraw/zinc/09/66/71/501096671.db2.gz OUMNJKOWAUVAED-PBHICJAKSA-N 0 3 355.442 3.183 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CNCC3CCN(CC(F)(F)F)CC3)nc2c1 ZINC000602625774 506237367 /nfs/dbraw/zinc/23/73/67/506237367.db2.gz KLEICNGSHKKYLR-UHFFFAOYSA-N 0 3 372.347 3.100 20 5 FGBDHN COCC[C@H](Cc1cccc(F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446841914 501172623 /nfs/dbraw/zinc/17/26/23/501172623.db2.gz BWQGROZKZMSCRR-OAHLLOKOSA-N 0 3 372.400 3.348 20 5 FGBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000436724058 501197364 /nfs/dbraw/zinc/19/73/64/501197364.db2.gz MYGIFBNKYNWVDY-KRWDZBQOSA-N 0 3 353.422 3.047 20 5 FGBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000450786882 501208832 /nfs/dbraw/zinc/20/88/32/501208832.db2.gz QRTZZHONCZQRDY-UHFFFAOYSA-N 0 3 369.425 3.025 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450287755 501226459 /nfs/dbraw/zinc/22/64/59/501226459.db2.gz LCROSPFLHUGEEJ-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](N2CCCCC2)C1 ZINC000450324230 501233806 /nfs/dbraw/zinc/23/38/06/501233806.db2.gz NJNZEPBBSCORNP-AWEZNQCLSA-N 0 3 356.426 3.216 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000450973025 501236023 /nfs/dbraw/zinc/23/60/23/501236023.db2.gz RXFAKZBQUMRGAS-CVEARBPZSA-N 0 3 361.442 3.169 20 5 FGBDHN COc1ccc(OCCN2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000451007266 501238713 /nfs/dbraw/zinc/23/87/13/501238713.db2.gz UAOKVWJTRRWMBS-INIZCTEOSA-N 0 3 357.410 3.257 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451353052 501273298 /nfs/dbraw/zinc/27/32/98/501273298.db2.gz IUIBDCBGANTTKS-QGZVFWFLSA-N 0 3 365.792 3.290 20 5 FGBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000455424622 501298737 /nfs/dbraw/zinc/29/87/37/501298737.db2.gz XNHUNAKCVBJWCP-IBGZPJMESA-N 0 3 360.458 3.452 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCCCN2CCO)c2ccccc2)c1 ZINC000453270380 501303912 /nfs/dbraw/zinc/30/39/12/501303912.db2.gz SKNNAKXXIBHJGA-RTWAWAEBSA-N 0 3 369.465 3.121 20 5 FGBDHN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000453436654 501332042 /nfs/dbraw/zinc/33/20/42/501332042.db2.gz LMERHFQFIOIKIH-ZFWWWQNUSA-N 0 3 356.426 3.236 20 5 FGBDHN CN1CCC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451874420 501390336 /nfs/dbraw/zinc/39/03/36/501390336.db2.gz XWKBAKDHVIWMFJ-INIZCTEOSA-N 0 3 368.437 3.484 20 5 FGBDHN CN1CCC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451874421 501390383 /nfs/dbraw/zinc/39/03/83/501390383.db2.gz XWKBAKDHVIWMFJ-MRXNPFEDSA-N 0 3 368.437 3.484 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452342864 501482443 /nfs/dbraw/zinc/48/24/43/501482443.db2.gz JEDVTJVKPVYWPY-AWEZNQCLSA-N 0 3 358.442 3.316 20 5 FGBDHN CCN(CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)c1 ZINC000454633861 501597345 /nfs/dbraw/zinc/59/73/45/501597345.db2.gz FNOSCEODAGZLOQ-UHFFFAOYSA-N 0 3 357.414 3.126 20 5 FGBDHN C[C@@H](CCCc1cccnc1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000459636351 501690755 /nfs/dbraw/zinc/69/07/55/501690755.db2.gz HEAKSZGGIAXOMA-AWEZNQCLSA-N 0 3 357.410 3.357 20 5 FGBDHN CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000611712034 506268719 /nfs/dbraw/zinc/26/87/19/506268719.db2.gz UFDUOKAVAZCRHD-KRWDZBQOSA-N 0 3 363.421 3.249 20 5 FGBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000467236534 501747461 /nfs/dbraw/zinc/74/74/61/501747461.db2.gz QUHGJIIJLOLNBB-UHFFFAOYSA-N 0 3 370.409 3.196 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)nc1-c1ccc(F)cc1 ZINC000485395958 501808362 /nfs/dbraw/zinc/80/83/62/501808362.db2.gz IMQZOWJMPNQRSF-INIZCTEOSA-N 0 3 354.385 3.246 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470813100 501812566 /nfs/dbraw/zinc/81/25/66/501812566.db2.gz SFBSSYWPTFVETJ-HOCLYGCPSA-N 0 3 364.446 3.096 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000474380746 501813896 /nfs/dbraw/zinc/81/38/96/501813896.db2.gz UGDKLXCILBMPID-ZUOKHONESA-N 0 3 370.405 3.170 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694935 501846949 /nfs/dbraw/zinc/84/69/49/501846949.db2.gz CNDTVAOXZNLPND-YJBOKZPZSA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694933 501847132 /nfs/dbraw/zinc/84/71/32/501847132.db2.gz CNDTVAOXZNLPND-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000482145566 501988910 /nfs/dbraw/zinc/98/89/10/501988910.db2.gz DVLSFUOHVGAQQJ-RRQGHBQHSA-N 0 3 363.458 3.495 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC(C)(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475113117 502063877 /nfs/dbraw/zinc/06/38/77/502063877.db2.gz FZUGPXHFYKEUHZ-UHFFFAOYSA-N 0 3 364.442 3.405 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468483644 502076130 /nfs/dbraw/zinc/07/61/30/502076130.db2.gz KTAYACPDLHDIKE-QGZVFWFLSA-N 0 3 360.458 3.019 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000468494534 502080922 /nfs/dbraw/zinc/08/09/22/502080922.db2.gz CQADXFDKJOJUOI-KRWDZBQOSA-N 0 3 362.474 3.024 20 5 FGBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000478896570 502114934 /nfs/dbraw/zinc/11/49/34/502114934.db2.gz ZJTMAESRLRSQBV-OAHLLOKOSA-N 0 3 372.400 3.378 20 5 FGBDHN CO[C@@H](CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000468608105 502123207 /nfs/dbraw/zinc/12/32/07/502123207.db2.gz SUUFYYXQISZEHL-NSHDSACASA-N 0 3 358.263 3.253 20 5 FGBDHN COc1ccc(CN2CCC[C@@]2(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475378137 502154060 /nfs/dbraw/zinc/15/40/60/502154060.db2.gz XYWYJBDELSFHIK-FQEVSTJZSA-N 0 3 356.422 3.173 20 5 FGBDHN CCOc1cc(N2CCN(CC[C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000482894897 502210076 /nfs/dbraw/zinc/21/00/76/502210076.db2.gz XQVRTKZLXLXFHC-KRWDZBQOSA-N 0 3 363.458 3.075 20 5 FGBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1C1CCCC1 ZINC000482913509 502215143 /nfs/dbraw/zinc/21/51/43/502215143.db2.gz UUYUCCFMTPBVCD-MRXNPFEDSA-N 0 3 365.861 3.314 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000475709181 502260113 /nfs/dbraw/zinc/26/01/13/502260113.db2.gz JNUOFTUWTFZVTA-MRXNPFEDSA-N 0 3 350.415 3.157 20 5 FGBDHN CCC1(Cc2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000483118664 502280253 /nfs/dbraw/zinc/28/02/53/502280253.db2.gz KKAPLEOAWQVXKD-UHFFFAOYSA-N 0 3 369.465 3.491 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462170601 502333511 /nfs/dbraw/zinc/33/35/11/502333511.db2.gz PKJKJJZULRUMJU-MAUKXSAKSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000462198477 502345907 /nfs/dbraw/zinc/34/59/07/502345907.db2.gz JGROLRORICEFLL-CRAIPNDOSA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000476189693 502408557 /nfs/dbraw/zinc/40/85/57/502408557.db2.gz KNEALJHWCVBQQY-LBPRGKRZSA-N 0 3 371.384 3.191 20 5 FGBDHN COc1cc(CN[C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000483699085 502467649 /nfs/dbraw/zinc/46/76/49/502467649.db2.gz YIUUKAOSOHDTQU-GXTWGEPZSA-N 0 3 374.384 3.295 20 5 FGBDHN CS[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000487723315 502514310 /nfs/dbraw/zinc/51/43/10/502514310.db2.gz SKQKRDKMXPOFPA-SJORKVTESA-N 0 3 358.467 3.159 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cc(C)ccc2C1 ZINC000483997366 502545904 /nfs/dbraw/zinc/54/59/04/502545904.db2.gz ZNJSLMNSHVGSPU-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000480458687 502574697 /nfs/dbraw/zinc/57/46/97/502574697.db2.gz FEVWJBCSFZGNQA-AWEZNQCLSA-N 0 3 350.365 3.122 20 5 FGBDHN C[C@@H](NC(=O)N1CCN(C2CCC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488004431 502596730 /nfs/dbraw/zinc/59/67/30/502596730.db2.gz AOUONQFODAXUAJ-LSDHHAIUSA-N 0 3 360.458 3.172 20 5 FGBDHN C[C@@H](CCc1ccsc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000462846626 502598533 /nfs/dbraw/zinc/59/85/33/502598533.db2.gz BNZWQUPYAAOHSG-ZDUSSCGKSA-N 0 3 368.480 3.041 20 5 FGBDHN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000484266819 502611364 /nfs/dbraw/zinc/61/13/64/502611364.db2.gz UDJNHMSVXXYTGO-XQQFMLRXSA-N 0 3 353.850 3.168 20 5 FGBDHN O=[N+]([O-])c1cnc2ccccc2c1NCC1CCN(c2ccncc2)CC1 ZINC000488130491 502636452 /nfs/dbraw/zinc/63/64/52/502636452.db2.gz SJSKKGOCQHNHBC-UHFFFAOYSA-N 0 3 363.421 3.288 20 5 FGBDHN COc1cc(C[C@@H](CO)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000484472611 502648595 /nfs/dbraw/zinc/64/85/95/502648595.db2.gz LBWAMJUZVQXXRI-GOEBONIOSA-N 0 3 374.437 3.114 20 5 FGBDHN COc1cc(C[C@@H](CO)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000484473856 502649998 /nfs/dbraw/zinc/64/99/98/502649998.db2.gz ZVBGLLROMHCRGK-GOEBONIOSA-N 0 3 374.437 3.114 20 5 FGBDHN CN1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000470145786 502678197 /nfs/dbraw/zinc/67/81/97/502678197.db2.gz ZBKLGHSOWWQOJD-DLBZAZTESA-N 0 3 358.373 3.301 20 5 FGBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000470165605 502688968 /nfs/dbraw/zinc/68/89/68/502688968.db2.gz MWWMMTDDIRQKAJ-FQEVSTJZSA-N 0 3 369.465 3.410 20 5 FGBDHN Cc1ccc([C@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632317 502689968 /nfs/dbraw/zinc/68/99/68/502689968.db2.gz YHEAKSFSMBMYBR-UYAOXDASSA-N 0 3 356.422 3.480 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000470170095 502692364 /nfs/dbraw/zinc/69/23/64/502692364.db2.gz OKCJKRWLRGUYOZ-XYSGSMRZSA-N 0 3 359.470 3.042 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488484640 502728158 /nfs/dbraw/zinc/72/81/58/502728158.db2.gz VEPNPXQGDJYMRI-KUHUBIRLSA-N 0 3 371.412 3.374 20 5 FGBDHN O=C(NC1CC1)c1ccc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128008 506334484 /nfs/dbraw/zinc/33/44/84/506334484.db2.gz UQCVBIJPPWMTNX-QGZVFWFLSA-N 0 3 372.469 3.306 20 5 FGBDHN CN1CC[C@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000488738590 502798638 /nfs/dbraw/zinc/79/86/38/502798638.db2.gz VNGKQZUUUGBIHB-NRFANRHFSA-N 0 3 365.433 3.358 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000463433105 502801206 /nfs/dbraw/zinc/80/12/06/502801206.db2.gz ACEQUMPRFYENSV-OAQYLSRUSA-N 0 3 370.449 3.291 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504895454 502819915 /nfs/dbraw/zinc/81/99/15/502819915.db2.gz UOFXJVKFYWRGDR-DOTOQJQBSA-N 0 3 358.438 3.495 20 5 FGBDHN CCCN(CCN1CCCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000513161109 502866632 /nfs/dbraw/zinc/86/66/32/502866632.db2.gz RXHWBALAYSDIJH-UHFFFAOYSA-N 0 3 373.457 3.343 20 5 FGBDHN Cc1ccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000489205866 502900668 /nfs/dbraw/zinc/90/06/68/502900668.db2.gz NPBLXSLAOYAFBY-IBGZPJMESA-N 0 3 368.437 3.251 20 5 FGBDHN C[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000505614181 502951092 /nfs/dbraw/zinc/95/10/92/502951092.db2.gz TUSWXZHXKHFKFD-AUUYWEPGSA-N 0 3 373.478 3.495 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC[C@H]1C ZINC000506275669 503083924 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/nfs/dbraw/zinc/39/95/65/506399565.db2.gz RSJOEDGPOZCMCP-INIZCTEOSA-N 0 3 361.829 3.427 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000612029183 506399908 /nfs/dbraw/zinc/39/99/08/506399908.db2.gz PAEHDZPNMTYEJN-GDBMZVCRSA-N 0 3 360.410 3.084 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599514712 506482275 /nfs/dbraw/zinc/48/22/75/506482275.db2.gz YWZUJSNDRYYMIH-CHWSQXEVSA-N 0 3 355.385 3.455 20 5 FGBDHN CC1(C)CC[C@@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589319585 506516263 /nfs/dbraw/zinc/51/62/63/506516263.db2.gz GGVCONRDLCDFEX-LBPRGKRZSA-N 0 3 360.195 3.478 20 5 FGBDHN CC1(C)CCC[C@](CO)(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599597064 506521969 /nfs/dbraw/zinc/52/19/69/506521969.db2.gz TZDCQQUZKFJKGB-KRWDZBQOSA-N 0 3 369.849 3.108 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3ccc(OC)cc3)C2)c1 ZINC000589499382 506570070 /nfs/dbraw/zinc/57/00/70/506570070.db2.gz PKHVDVJKFDTXAN-INIZCTEOSA-N 0 3 370.405 3.380 20 5 FGBDHN CC[C@@H](Cc1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576213 506634741 /nfs/dbraw/zinc/63/47/41/506634741.db2.gz XPUAZGSVWIIEMU-ZDUSSCGKSA-N 0 3 368.480 3.041 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593495800 506653842 /nfs/dbraw/zinc/65/38/42/506653842.db2.gz JGNXVSHILOTLDR-PMACEKPBSA-N 0 3 371.412 3.214 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000609026175 506765449 /nfs/dbraw/zinc/76/54/49/506765449.db2.gz OXCVRPPSLMNATG-CABCVRRESA-N 0 3 374.485 3.044 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095463 506771877 /nfs/dbraw/zinc/77/18/77/506771877.db2.gz VWVYSXRBOCNRCW-UHFFFAOYSA-N 0 3 369.853 3.169 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CSc3ccccc31)OCCO2 ZINC000590654575 506897483 /nfs/dbraw/zinc/89/74/83/506897483.db2.gz IUSLIOHUQSWESB-ZDUSSCGKSA-N 0 3 358.419 3.345 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000594198642 507002625 /nfs/dbraw/zinc/00/26/25/507002625.db2.gz UDQDEAZXECPPIM-CHWSQXEVSA-N 0 3 371.359 3.360 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000610116518 507105916 /nfs/dbraw/zinc/10/59/16/507105916.db2.gz MCDADZQFOCLXBF-MAUKXSAKSA-N 0 3 359.401 3.029 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597858113 507136614 /nfs/dbraw/zinc/13/66/14/507136614.db2.gz JQSCEZKZICMMJR-YPMHNXCESA-N 0 3 369.849 3.005 20 5 FGBDHN Cc1ccc(-c2ncc(CNCCn3cc([N+](=O)[O-])cn3)s2)cc1C ZINC000594498175 507155234 /nfs/dbraw/zinc/15/52/34/507155234.db2.gz NANLZBNEIAOEQS-UHFFFAOYSA-N 0 3 357.439 3.321 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000610239838 507155317 /nfs/dbraw/zinc/15/53/17/507155317.db2.gz OQKVROITZOEFLA-HXUWFJFHSA-N 0 3 367.449 3.481 20 5 FGBDHN CCC(C)(C)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594611544 507210718 /nfs/dbraw/zinc/21/07/18/507210718.db2.gz HROBMKHIVRIYTR-UHFFFAOYSA-N 0 3 371.485 3.302 20 5 FGBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000601162917 507284806 /nfs/dbraw/zinc/28/48/06/507284806.db2.gz AZYWFFZDPAMELU-GFCCVEGCSA-N 0 3 366.414 3.031 20 5 FGBDHN CC(C)c1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1[N+](=O)[O-] ZINC000594991063 507345183 /nfs/dbraw/zinc/34/51/83/507345183.db2.gz YSFQLXVZZCMYCR-WOJBJXKFSA-N 0 3 373.497 3.451 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C(=O)CC(C)C)CC1 ZINC000595012971 507354332 /nfs/dbraw/zinc/35/43/32/507354332.db2.gz HCQQJKXNSAWRQX-CQSZACIVSA-N 0 3 363.458 3.291 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H](COC)C2CCOCC2)cc1[N+](=O)[O-] ZINC000595067312 507376605 /nfs/dbraw/zinc/37/66/05/507376605.db2.gz LPTRDHZQRVKNBX-XJKSGUPXSA-N 0 3 352.431 3.086 20 5 FGBDHN C[C@H](c1ccncc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185383 507399407 /nfs/dbraw/zinc/39/94/07/507399407.db2.gz HPLHCIPWPBSWFF-CQSZACIVSA-N 0 3 366.425 3.139 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCOC3(CCCCC3)C1)OCCO2 ZINC000610860084 507417709 /nfs/dbraw/zinc/41/77/09/507417709.db2.gz FUQRSPABSNDFDR-HNNXBMFYSA-N 0 3 362.426 3.338 20 5 FGBDHN CC(C)CC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132242 507498761 /nfs/dbraw/zinc/49/87/61/507498761.db2.gz DKSGBLGOIAUUTA-GUDVDZBRSA-N 0 3 364.486 3.497 20 5 FGBDHN C[C@@H]1CC2(CN1Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCOCC2 ZINC000592182161 507526612 /nfs/dbraw/zinc/52/66/12/507526612.db2.gz KVSWRSCSEHZACP-CYBMUJFWSA-N 0 3 358.398 3.036 20 5 FGBDHN Cc1c(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cccc1[N+](=O)[O-] ZINC000611197442 507558677 /nfs/dbraw/zinc/55/86/77/507558677.db2.gz FONDNDNDFDEAEJ-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN CC(C)c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611254109 507581089 /nfs/dbraw/zinc/58/10/89/507581089.db2.gz YAOKZNDKKYJJKV-GOSISDBHSA-N 0 3 361.486 3.405 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCOc4ccccc43)C2)nc1 ZINC000611272356 507597521 /nfs/dbraw/zinc/59/75/21/507597521.db2.gz BCCXKALNSAJYLF-CABCVRRESA-N 0 3 354.410 3.042 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595741790 507659437 /nfs/dbraw/zinc/65/94/37/507659437.db2.gz ZJQFWUYOCTVCFA-ARFHVFGLSA-N 0 3 362.426 3.027 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000611402514 507663887 /nfs/dbraw/zinc/66/38/87/507663887.db2.gz SEIJUESEMNECDZ-CQSZACIVSA-N 0 3 363.483 3.309 20 5 FGBDHN O=C(N1CCCC1)N1CCC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000586795072 507674167 /nfs/dbraw/zinc/67/41/67/507674167.db2.gz ORHVKNMIAKWZHF-APWZRJJASA-N 0 3 372.469 3.242 20 5 FGBDHN C[C@H](N[C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473619 507697700 /nfs/dbraw/zinc/69/77/00/507697700.db2.gz ZOLPRRPOICETFT-UWJYYQICSA-N 0 3 369.465 3.273 20 5 FGBDHN CCOc1cccc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000614977875 507712592 /nfs/dbraw/zinc/71/25/92/507712592.db2.gz OUVMBAAXUQFJQB-GDBMZVCRSA-N 0 3 351.472 3.010 20 5 FGBDHN O=[N+]([O-])c1sc(CN2CC[C@H](N3CCCC3)C2)cc1Br ZINC000602453812 507714019 /nfs/dbraw/zinc/71/40/19/507714019.db2.gz PIEWBKLJKZNJRB-JTQLQIEISA-N 0 3 360.277 3.089 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000587973171 507721333 /nfs/dbraw/zinc/72/13/33/507721333.db2.gz BZYMWDXFMQBBRL-AWEZNQCLSA-N 0 3 351.422 3.172 20 5 FGBDHN COc1ccc(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000602533321 507740371 /nfs/dbraw/zinc/74/03/71/507740371.db2.gz WOPFUYCOGMJHEE-UHFFFAOYSA-N 0 3 371.393 3.476 20 5 FGBDHN O=C(c1cccc2c1CCNC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595958477 507751270 /nfs/dbraw/zinc/75/12/70/507751270.db2.gz QYSOLOGWDGMLAH-UHFFFAOYSA-N 0 3 351.406 3.045 20 5 FGBDHN CC[C@@H]1CN(C)CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000619578762 714854725 /nfs/dbraw/zinc/85/47/25/714854725.db2.gz OWWSQDWYXJAUFU-CYBMUJFWSA-N 0 3 371.890 3.283 20 5 FGBDHN COC1CCN(CCNc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804538203 724526634 /nfs/dbraw/zinc/52/66/34/724526634.db2.gz MHTUKCSINUKMES-UHFFFAOYSA-N 0 3 372.263 3.188 20 5 FGBDHN C[C@H](O)CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000726881233 722438834 /nfs/dbraw/zinc/43/88/34/722438834.db2.gz OKBALKHQWXZGRT-LBPRGKRZSA-N 0 3 369.849 3.202 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1Cl ZINC000761507804 723160864 /nfs/dbraw/zinc/16/08/64/723160864.db2.gz XTMGQZPHCMNHJV-UHFFFAOYSA-N 0 3 367.877 3.183 20 5 FGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccc(Br)cc2n1 ZINC000813103230 726839497 /nfs/dbraw/zinc/83/94/97/726839497.db2.gz AZPQVWVDCQFCHO-SECBINFHSA-N 0 3 353.172 3.128 20 5 FGBDHN CC(COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1)[N+](=O)[O-] ZINC000813104469 726839508 /nfs/dbraw/zinc/83/95/08/726839508.db2.gz MYQAHGIRPXFTRV-IAQYHMDHSA-N 0 3 358.797 3.215 20 5 FGBDHN CC(COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107838 726839786 /nfs/dbraw/zinc/83/97/86/726839786.db2.gz QYPHHIXJDOBIBA-HZSPNIEDSA-N 0 3 358.435 3.059 20 5 FGBDHN CC(C)n1c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2nc1C(F)(F)F 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FGBDHN COc1cccc(COC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821864 496558907 /nfs/dbraw/zinc/55/89/07/496558907.db2.gz AQXBTHXMBIHGRZ-CRAIPNDOSA-N 0 3 374.437 3.140 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000175864557 496578198 /nfs/dbraw/zinc/57/81/98/496578198.db2.gz RECUPCAQZXMANR-GOEBONIOSA-N 0 3 364.471 3.221 20 5 FGBDHN COc1cc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1SC ZINC000153820262 496591258 /nfs/dbraw/zinc/59/12/58/496591258.db2.gz BXKVUVDIZIOVFH-MRXNPFEDSA-N 0 3 362.451 3.491 20 5 FGBDHN COCCN(CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000158189281 496646373 /nfs/dbraw/zinc/64/63/73/496646373.db2.gz BOYSHFWYDABHCV-UHFFFAOYSA-N 0 3 350.440 3.418 20 5 FGBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000173343042 496650101 /nfs/dbraw/zinc/65/01/01/496650101.db2.gz UAQKENXZJTXRCL-STQMWFEESA-N 0 3 363.439 3.378 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000188090289 496678590 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CCOc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227508419 497089008 /nfs/dbraw/zinc/08/90/08/497089008.db2.gz FECFNCRWNLXSHT-RBSFLKMASA-N 0 3 363.458 3.090 20 5 FGBDHN CC(C)CCSc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000236601565 497119375 /nfs/dbraw/zinc/11/93/75/497119375.db2.gz SSPOBXULKNAFKA-UHFFFAOYSA-N 0 3 351.472 3.169 20 5 FGBDHN CCS[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000248945874 497137479 /nfs/dbraw/zinc/13/74/79/497137479.db2.gz DKJFIVNTYBUJDE-YESZJQIVSA-N 0 3 363.483 3.354 20 5 FGBDHN C[C@@H](c1ccccn1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817464 497174509 /nfs/dbraw/zinc/17/45/09/497174509.db2.gz JDOGZTLSJVNQOT-AWEZNQCLSA-N 0 3 366.425 3.139 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)cc([N+](=O)[O-])c1OC ZINC000265936507 497212258 /nfs/dbraw/zinc/21/22/58/497212258.db2.gz HMSWLSBTEZRATI-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000278771886 497215152 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ZINC000246230973 497670253 /nfs/dbraw/zinc/67/02/53/497670253.db2.gz GCQVTGXBHIRJNE-MISYRCLQSA-N 0 3 374.412 3.355 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000246230963 497670324 /nfs/dbraw/zinc/67/03/24/497670324.db2.gz GCQVTGXBHIRJNE-DFQSSKMNSA-N 0 3 374.412 3.355 20 5 FGBDHN Cc1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000575165074 505934709 /nfs/dbraw/zinc/93/47/09/505934709.db2.gz VERSAGFGFBCSOQ-HXUWFJFHSA-N 0 3 358.413 3.469 20 5 FGBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581217479 505935900 /nfs/dbraw/zinc/93/59/00/505935900.db2.gz JFXRCLZPHTXVLG-MAUKXSAKSA-N 0 3 371.437 3.150 20 5 FGBDHN COc1cccc(COC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292088356 497872857 /nfs/dbraw/zinc/87/28/57/497872857.db2.gz GMUNHZZOJZTISN-MRXNPFEDSA-N 0 3 374.437 3.006 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000572389139 505956970 /nfs/dbraw/zinc/95/69/70/505956970.db2.gz CMBGRONISLZNKD-OXJNMPFZSA-N 0 3 369.421 3.209 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000292469192 498027835 /nfs/dbraw/zinc/02/78/35/498027835.db2.gz UXLAOXLRKCHNCV-ZDUSSCGKSA-N 0 3 363.483 3.263 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000572428816 505966905 /nfs/dbraw/zinc/96/69/05/505966905.db2.gz NMLLAVBOWMMTHU-QGZVFWFLSA-N 0 3 358.398 3.028 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285542472 498123241 /nfs/dbraw/zinc/12/32/41/498123241.db2.gz LQQJCRAZATXWQB-CPUCHLNUSA-N 0 3 371.441 3.264 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285567900 498132594 /nfs/dbraw/zinc/13/25/94/498132594.db2.gz HMXJEEJSHJKVGW-DGCLKSJQSA-N 0 3 352.822 3.339 20 5 FGBDHN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000289437830 498146975 /nfs/dbraw/zinc/14/69/75/498146975.db2.gz STGPIGQLIMFTLU-BEFAXECRSA-N 0 3 352.394 3.271 20 5 FGBDHN Cc1cc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301526032 498148348 /nfs/dbraw/zinc/14/83/48/498148348.db2.gz GBGICUVMMFMHFY-HOTGVXAUSA-N 0 3 362.474 3.014 20 5 FGBDHN CC1CCN(C[C@@H](O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301860459 498298218 /nfs/dbraw/zinc/29/82/18/498298218.db2.gz KOOXCDMNABJOBL-KRWDZBQOSA-N 0 3 370.453 3.162 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccncc2)CC1 ZINC000361048599 498337434 /nfs/dbraw/zinc/33/74/34/498337434.db2.gz OOAQEFUFEJSJPC-UHFFFAOYSA-N 0 3 354.454 3.129 20 5 FGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Oc2cccnc2)cc1 ZINC000578796552 506022086 /nfs/dbraw/zinc/02/20/86/506022086.db2.gz JHQQLOAIKAXHMF-AWEZNQCLSA-N 0 3 353.382 3.329 20 5 FGBDHN Cc1c(NC(=O)CCN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289969546 498375682 /nfs/dbraw/zinc/37/56/82/498375682.db2.gz XEWHQOKPUXOSRP-FUHWJXTLSA-N 0 3 361.442 3.121 20 5 FGBDHN C[C@H](CN1CCCCCC1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000302397698 498476374 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357.439 3.379 20 5 FGBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCNC2=O)cc1 ZINC000291142841 498813498 /nfs/dbraw/zinc/81/34/98/498813498.db2.gz YFPGPOYJSJRYCL-AWEZNQCLSA-N 0 3 354.410 3.365 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000363625150 498909735 /nfs/dbraw/zinc/90/97/35/498909735.db2.gz SEYCQQZRTSAFRQ-KRWDZBQOSA-N 0 3 353.422 3.237 20 5 FGBDHN CCC[C@@H](N[C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363760481 498979106 /nfs/dbraw/zinc/97/91/06/498979106.db2.gz YXUVKMQUMFWHGM-PKOBYXMFSA-N 0 3 368.437 3.335 20 5 FGBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000363815554 499008043 /nfs/dbraw/zinc/00/80/43/499008043.db2.gz HTXRUOLRUCQIDS-YGRLFVJLSA-N 0 3 372.347 3.172 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000295752084 499094662 /nfs/dbraw/zinc/09/46/62/499094662.db2.gz OICZMJUMQIZUNV-WFASDCNBSA-N 0 3 351.834 3.255 20 5 FGBDHN CN(CCCc1cc(-c2ccc(F)cc2)no1)CCn1cc([N+](=O)[O-])cn1 ZINC000372677508 499159420 /nfs/dbraw/zinc/15/94/20/499159420.db2.gz ZXGJFEIXVZKDCN-UHFFFAOYSA-N 0 3 373.388 3.150 20 5 FGBDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000372741934 499168818 /nfs/dbraw/zinc/16/88/18/499168818.db2.gz OPHAJMWWINZPKG-SFHVURJKSA-N 0 3 371.441 3.111 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000370101232 499180758 /nfs/dbraw/zinc/18/07/58/499180758.db2.gz JWTKDESLKWYZHO-GDBMZVCRSA-N 0 3 373.457 3.047 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@](O)(c3ccccc3)CC2)c1 ZINC000367701457 499226299 /nfs/dbraw/zinc/22/62/99/499226299.db2.gz KWPAZONQFSDRMM-WOJBJXKFSA-N 0 3 356.422 3.002 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000371404999 499321792 /nfs/dbraw/zinc/32/17/92/499321792.db2.gz XDRBUVCWRYBFJU-OAHLLOKOSA-N 0 3 360.458 3.234 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282247 499461389 /nfs/dbraw/zinc/46/13/89/499461389.db2.gz BSQTUVHGYMAMAS-CYBMUJFWSA-N 0 3 359.386 3.406 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000375238594 499498360 /nfs/dbraw/zinc/49/83/60/499498360.db2.gz ROCWEALHNDZVPY-SFHVURJKSA-N 0 3 357.454 3.126 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)o1 ZINC000378346406 499504412 /nfs/dbraw/zinc/50/44/12/499504412.db2.gz QSZPVGSMJVJDII-ZDUSSCGKSA-N 0 3 353.382 3.353 20 5 FGBDHN O=C(CCN1CC=C(c2cccnc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375357446 499510354 /nfs/dbraw/zinc/51/03/54/499510354.db2.gz RTJSJSYFGWQJAD-UHFFFAOYSA-N 0 3 370.384 3.247 20 5 FGBDHN Cc1cccc([C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000377112863 499663247 /nfs/dbraw/zinc/66/32/47/499663247.db2.gz HSICBCHBWKDIHN-QGZVFWFLSA-N 0 3 354.410 3.464 20 5 FGBDHN Cc1cccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000377112862 499663291 /nfs/dbraw/zinc/66/32/91/499663291.db2.gz HSICBCHBWKDIHN-KRWDZBQOSA-N 0 3 354.410 3.464 20 5 FGBDHN CN1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000377298630 499677842 /nfs/dbraw/zinc/67/78/42/499677842.db2.gz OJIAZWVCQRIHPU-YJBOKZPZSA-N 0 3 360.845 3.426 20 5 FGBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000411140832 499702409 /nfs/dbraw/zinc/70/24/09/499702409.db2.gz UVOIMUXJYNWDJI-UHFFFAOYSA-N 0 3 363.439 3.134 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccco1)C(C)C ZINC000411197106 499709788 /nfs/dbraw/zinc/70/97/88/499709788.db2.gz VJSGDZCSIMTSAD-UHFFFAOYSA-N 0 3 361.398 3.436 20 5 FGBDHN Cc1ccc([C@H](C)NCCc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000411473266 499745324 /nfs/dbraw/zinc/74/53/24/499745324.db2.gz JYDPBBXOUVVRQO-ZDUSSCGKSA-N 0 3 352.394 3.445 20 5 FGBDHN CNC(=O)NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000414540149 499805330 /nfs/dbraw/zinc/80/53/30/499805330.db2.gz FWWUXROLASDYKI-UHFFFAOYSA-N 0 3 374.466 3.217 20 5 FGBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000412286605 499841430 /nfs/dbraw/zinc/84/14/30/499841430.db2.gz DDUDWWSLUDKJTE-MRXNPFEDSA-N 0 3 361.442 3.129 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412333175 499845517 /nfs/dbraw/zinc/84/55/17/499845517.db2.gz GPRNQNCRSNMKFW-GDBMZVCRSA-N 0 3 361.442 3.081 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415765829 499917710 /nfs/dbraw/zinc/91/77/10/499917710.db2.gz RLZXIUXKCFNRIH-SFHVURJKSA-N 0 3 354.410 3.166 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(NCC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000413586418 499997488 /nfs/dbraw/zinc/99/74/88/499997488.db2.gz PQSLWYUVMTUPLK-UHFFFAOYSA-N 0 3 370.453 3.046 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000429296524 500046672 /nfs/dbraw/zinc/04/66/72/500046672.db2.gz CHYWLBFHIBSRIK-FSPWUOQZSA-N 0 3 363.458 3.271 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429389214 500066876 /nfs/dbraw/zinc/06/68/76/500066876.db2.gz PWEYQRWVAUNWCD-RDJZCZTQSA-N 0 3 350.415 3.013 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429573207 500106245 /nfs/dbraw/zinc/10/62/45/500106245.db2.gz LLESBWKCUKCJCS-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN C[C@@H](CO)N(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000425442263 500107741 /nfs/dbraw/zinc/10/77/41/500107741.db2.gz JHJMKFPQNRAWRG-NSHDSACASA-N 0 3 357.248 3.483 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417989016 500210576 /nfs/dbraw/zinc/21/05/76/500210576.db2.gz SKXQVFIFXVLADR-GUYCJALGSA-N 0 3 356.426 3.217 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000423686004 500394000 /nfs/dbraw/zinc/39/40/00/500394000.db2.gz YWJNQNDCNGHQOW-QGZVFWFLSA-N 0 3 353.422 3.137 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431686711 500408510 /nfs/dbraw/zinc/40/85/10/500408510.db2.gz SHHVMRUCNPSUNO-KAQJZCPUSA-N 0 3 370.409 3.378 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000423969516 500426336 /nfs/dbraw/zinc/42/63/36/500426336.db2.gz DZZZFQIGVXRVMB-GOSISDBHSA-N 0 3 355.438 3.251 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(C34CCCN3CCC4)n2)c2c1NCCC2 ZINC000420503171 500468794 /nfs/dbraw/zinc/46/87/94/500468794.db2.gz SYAQGOCOLUDQCU-UHFFFAOYSA-N 0 3 355.398 3.088 20 5 FGBDHN Cc1ccc(NCCCNC(=O)Nc2cc(C)cc(CN)c2)c([N+](=O)[O-])c1 ZINC000424430630 500503983 /nfs/dbraw/zinc/50/39/83/500503983.db2.gz CUMQDAISXRKSJE-UHFFFAOYSA-N 0 3 371.441 3.294 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437227186 500617561 /nfs/dbraw/zinc/61/75/61/500617561.db2.gz QRCFVHMUEZXZTJ-ZDUSSCGKSA-N 0 3 359.348 3.218 20 5 FGBDHN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447539215 500619953 /nfs/dbraw/zinc/61/99/53/500619953.db2.gz FXJCEQXMDOGWMV-SJORKVTESA-N 0 3 372.473 3.306 20 5 FGBDHN Cc1cc(N2CCC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2)n(C)n1 ZINC000447555779 500623543 /nfs/dbraw/zinc/62/35/43/500623543.db2.gz 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CC(C)NC(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433799712 500746348 /nfs/dbraw/zinc/74/63/48/500746348.db2.gz SFVMNTXQBNCWAT-MRXNPFEDSA-N 0 3 360.458 3.162 20 5 FGBDHN O=C(c1cc(NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000433806651 500747409 /nfs/dbraw/zinc/74/74/09/500747409.db2.gz WWLRJSDTJXQQHB-QGZVFWFLSA-N 0 3 372.469 3.260 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000443994541 500788769 /nfs/dbraw/zinc/78/87/69/500788769.db2.gz DSKOYTBGASZOPV-LLVKDONJSA-N 0 3 372.318 3.092 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000438527294 500797318 /nfs/dbraw/zinc/79/73/18/500797318.db2.gz IQFOWVBOOMPJIA-UHFFFAOYSA-N 0 3 351.472 3.311 20 5 FGBDHN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000448705243 500809784 /nfs/dbraw/zinc/80/97/84/500809784.db2.gz SHEBKEVRLKNQCY-NWDGAFQWSA-N 0 3 373.375 3.464 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000434227011 500813359 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FGBDHN C[C@@H](Cn1cc(Br)cn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348630 500984003 /nfs/dbraw/zinc/98/40/03/500984003.db2.gz MKFZPRUOWGQDJM-QWRGUYRKSA-N 0 3 353.220 3.293 20 5 FGBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449366876 500988431 /nfs/dbraw/zinc/98/84/31/500988431.db2.gz XVLFHGUHWSSPCA-ROUUACIJSA-N 0 3 373.478 3.228 20 5 FGBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000441076333 501084122 /nfs/dbraw/zinc/08/41/22/501084122.db2.gz DCYCIOKKPZEDTM-AZUAARDMSA-N 0 3 370.449 3.460 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@H](CCCO)C3)o2)c([N+](=O)[O-])c1 ZINC000449793225 501088704 /nfs/dbraw/zinc/08/87/04/501088704.db2.gz VWPRHSZASNHRJZ-AWEZNQCLSA-N 0 3 360.410 3.458 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000446346859 501108111 /nfs/dbraw/zinc/10/81/11/501108111.db2.gz ROEYIRJXHAFHHE-UHFFFAOYSA-N 0 3 353.850 3.408 20 5 FGBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)CC2(C)C)ncc1[N+](=O)[O-] ZINC000450507051 501139013 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FGBDHN Cc1ccc(CN(CCN(C)C)Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000602655527 506247323 /nfs/dbraw/zinc/24/73/23/506247323.db2.gz HQFPLOLABVWUHI-UHFFFAOYSA-N 0 3 358.398 3.201 20 5 FGBDHN COCC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000451687632 501350833 /nfs/dbraw/zinc/35/08/33/501350833.db2.gz CYJKWZYODCARRQ-HNNXBMFYSA-N 0 3 372.347 3.178 20 5 FGBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[C@H](C)C1 ZINC000452073138 501429330 /nfs/dbraw/zinc/42/93/30/501429330.db2.gz UUSXMYRDPOEPIW-AVGNSLFASA-N 0 3 363.414 3.066 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458420619 501441062 /nfs/dbraw/zinc/44/10/62/501441062.db2.gz KUURWJXGGRPAJV-FQEVSTJZSA-N 0 3 374.485 3.045 20 5 FGBDHN CC[C@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526804 501466176 /nfs/dbraw/zinc/46/61/76/501466176.db2.gz YFRZBSLBQBSGCG-KSSFIOAISA-N 0 3 360.458 3.172 20 5 FGBDHN C[C@H](NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882599 501551756 /nfs/dbraw/zinc/55/17/56/501551756.db2.gz BPQLGXLDPOPBJT-JTOWHCCKSA-N 0 3 360.458 3.028 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456688348 501577412 /nfs/dbraw/zinc/57/74/12/501577412.db2.gz GMWJJIRNHLAHTK-UHFFFAOYSA-N 0 3 362.474 3.271 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454771100 501626278 /nfs/dbraw/zinc/62/62/78/501626278.db2.gz UTMXIKOKHPMBQX-CVEARBPZSA-N 0 3 370.453 3.476 20 5 FGBDHN C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000455090425 501686201 /nfs/dbraw/zinc/68/62/01/501686201.db2.gz GXHCCLHFSZBYBH-KSSFIOAISA-N 0 3 356.426 3.258 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459634757 501690263 /nfs/dbraw/zinc/69/02/63/501690263.db2.gz IOYMFJCAMGIKSV-BEFAXECRSA-N 0 3 368.437 3.096 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCC[C@H]1C ZINC000485192771 501751540 /nfs/dbraw/zinc/75/15/40/501751540.db2.gz BLIITVWCLORTOM-NEPJUHHUSA-N 0 3 371.384 3.189 20 5 FGBDHN COCC[C@H]1CCCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266693 501752603 /nfs/dbraw/zinc/75/26/03/501752603.db2.gz UGQWHIOBCXHQBM-HZPDHXFCSA-N 0 3 363.458 3.369 20 5 FGBDHN COCC[C@@H]1CCCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000467269357 501753230 /nfs/dbraw/zinc/75/32/30/501753230.db2.gz RNPJBEFSUZOXOI-HNNXBMFYSA-N 0 3 352.431 3.121 20 5 FGBDHN C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000467441267 501795401 /nfs/dbraw/zinc/79/54/01/501795401.db2.gz DFGABOVACLXTGU-YZVOILCLSA-N 0 3 353.422 3.435 20 5 FGBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470870673 501836614 /nfs/dbraw/zinc/83/66/14/501836614.db2.gz AWWYYLBGWNGSJY-OAHLLOKOSA-N 0 3 371.466 3.405 20 5 FGBDHN COc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000474440035 501837599 /nfs/dbraw/zinc/83/75/99/501837599.db2.gz PWXCKNFLDSIUEX-SCLBCKFNSA-N 0 3 372.425 3.416 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000463976569 501868730 /nfs/dbraw/zinc/86/87/30/501868730.db2.gz XKAVXHXXINYHBH-UHFFFAOYSA-N 0 3 356.426 3.465 20 5 FGBDHN C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000467851333 501890970 /nfs/dbraw/zinc/89/09/70/501890970.db2.gz LSDSXRLGWUPUOR-JCURWCKSSA-N 0 3 350.365 3.483 20 5 FGBDHN CC[C@H](N[C@H]1CC(=O)N(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482036319 501954050 /nfs/dbraw/zinc/95/40/50/501954050.db2.gz DNNPPJQTMJBDNB-KXBFYZLASA-N 0 3 369.421 3.450 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156703 506285058 /nfs/dbraw/zinc/28/50/58/506285058.db2.gz WDKPZOHSMQHULZ-KBXCAEBGSA-N 0 3 368.437 3.016 20 5 FGBDHN CC(C)c1ccc(C[C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000460978657 501979132 /nfs/dbraw/zinc/97/91/32/501979132.db2.gz JNFQUEPZZNFZDO-SFHVURJKSA-N 0 3 369.465 3.445 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000478700359 502061991 /nfs/dbraw/zinc/06/19/91/502061991.db2.gz IWMXBRFQSRHUOA-HZPDHXFCSA-N 0 3 374.485 3.188 20 5 FGBDHN C[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464218 502065560 /nfs/dbraw/zinc/06/55/60/502065560.db2.gz WWLMCCYWGDJSPM-LRDDRELGSA-N 0 3 351.422 3.074 20 5 FGBDHN CCNc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471579051 502072493 /nfs/dbraw/zinc/07/24/93/502072493.db2.gz UCVGRXIIWRTGEB-AUUYWEPGSA-N 0 3 370.453 3.448 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468485071 502075799 /nfs/dbraw/zinc/07/57/99/502075799.db2.gz XCYMILWVJJCRKP-SJLPKXTDSA-N 0 3 361.486 3.400 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000478832904 502099845 /nfs/dbraw/zinc/09/98/45/502099845.db2.gz SLEJQGRLWMFGCB-IBGZPJMESA-N 0 3 370.453 3.314 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C ZINC000475210568 502100174 /nfs/dbraw/zinc/10/01/74/502100174.db2.gz PRFYUWHSLACUQM-MWLCHTKSSA-N 0 3 360.336 3.218 20 5 FGBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482849365 502196805 /nfs/dbraw/zinc/19/68/05/502196805.db2.gz IOXBAPZZOXSRNR-UHFFFAOYSA-N 0 3 363.483 3.076 20 5 FGBDHN C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000483143242 502289719 /nfs/dbraw/zinc/28/97/19/502289719.db2.gz OJOFVZUXGGNKDE-ZLIFDBKOSA-N 0 3 350.365 3.483 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000462198480 502346326 /nfs/dbraw/zinc/34/63/26/502346326.db2.gz JGROLRORICEFLL-YJBOKZPZSA-N 0 3 353.422 3.154 20 5 FGBDHN Cn1ccnc1[C@@H](NC[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074294 506310104 /nfs/dbraw/zinc/31/01/04/506310104.db2.gz PLVGCLPPEAPULU-MOPGFXCFSA-N 0 3 369.469 3.024 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccnc(N3CCCC3)c2)n1 ZINC000472607097 502398953 /nfs/dbraw/zinc/39/89/53/502398953.db2.gz FYAZVADDACCJLQ-IRXDYDNUSA-N 0 3 370.457 3.060 20 5 FGBDHN O=c1ccc([C@@H]2OCC[C@H]2N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c[nH]1 ZINC000599084888 506316326 /nfs/dbraw/zinc/31/63/26/506316326.db2.gz UDABWOCSIDUQPM-SCTDSRPQSA-N 0 3 355.394 3.193 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644541 502519669 /nfs/dbraw/zinc/51/96/69/502519669.db2.gz SZRWSRWXUNMDDC-KDOFPFPSSA-N 0 3 354.410 3.237 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000462757967 502559129 /nfs/dbraw/zinc/55/91/29/502559129.db2.gz CFYOJEGGSBYOPJ-XYJFISCASA-N 0 3 361.486 3.400 20 5 FGBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N1CCCC1 ZINC000466401065 502560031 /nfs/dbraw/zinc/56/00/31/502560031.db2.gz XPVPGTQKYZERTD-ZDUSSCGKSA-N 0 3 359.451 3.424 20 5 FGBDHN COCC[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000466473230 502581408 /nfs/dbraw/zinc/58/14/08/502581408.db2.gz JWWIXIVFCFUVLD-HNNXBMFYSA-N 0 3 364.373 3.013 20 5 FGBDHN CS[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000473532156 502626552 /nfs/dbraw/zinc/62/65/52/502626552.db2.gz MKPJWALBFHMGAT-SJORKVTESA-N 0 3 358.467 3.159 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470153896 502683036 /nfs/dbraw/zinc/68/30/36/502683036.db2.gz YAELCKGMFZBOLK-UHFFFAOYSA-N 0 3 360.389 3.330 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000470169242 502691132 /nfs/dbraw/zinc/69/11/32/502691132.db2.gz CKQRMNUSAQCNRM-DTQAZKPQSA-N 0 3 357.454 3.333 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468523 502724147 /nfs/dbraw/zinc/72/41/47/502724147.db2.gz PHCUFDQAWJBXFR-ZFWWWQNUSA-N 0 3 359.451 3.297 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000470300158 502729685 /nfs/dbraw/zinc/72/96/85/502729685.db2.gz WYVVKIXVVWYRAE-UHFFFAOYSA-N 0 3 371.384 3.048 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593010368 506333553 /nfs/dbraw/zinc/33/35/53/506333553.db2.gz BZJKPCSTHJDPNM-LJQANCHMSA-N 0 3 373.428 3.476 20 5 FGBDHN CNc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505593256 502944403 /nfs/dbraw/zinc/94/44/03/502944403.db2.gz XXDMAPCSCFSKRT-UGSOOPFHSA-N 0 3 356.426 3.058 20 5 FGBDHN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](c1ccccc1)N(C)C ZINC000505614273 502951225 /nfs/dbraw/zinc/95/12/25/502951225.db2.gz VIWYPBAGXUWUTG-ORAYPTAESA-N 0 3 366.421 3.497 20 5 FGBDHN CCCN(CCN(C)C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509648794 502957366 /nfs/dbraw/zinc/95/73/66/502957366.db2.gz BGPQTDFEZYZAMZ-UHFFFAOYSA-N 0 3 372.263 3.080 20 5 FGBDHN CC[C@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000489449336 502961179 /nfs/dbraw/zinc/96/11/79/502961179.db2.gz NXPFVWUJOQQTAH-STEAMIEHSA-N 0 3 374.485 3.418 20 5 FGBDHN CCC[C@@]1(COC)CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027484 506344008 /nfs/dbraw/zinc/34/40/08/506344008.db2.gz RFBBJPAWYWLKNV-SFHVURJKSA-N 0 3 350.415 3.163 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599147043 506346306 /nfs/dbraw/zinc/34/63/06/506346306.db2.gz KDJAVJMRKDBQQX-QGZVFWFLSA-N 0 3 360.458 3.143 20 5 FGBDHN COC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000513825131 503031698 /nfs/dbraw/zinc/03/16/98/503031698.db2.gz WLEPXLJBJFWIPB-CZUORRHYSA-N 0 3 358.394 3.475 20 5 FGBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000506052267 503037590 /nfs/dbraw/zinc/03/75/90/503037590.db2.gz RWWFRRAWQYTAQK-HXUWFJFHSA-N 0 3 354.454 3.386 20 5 FGBDHN CCCn1nccc1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000501560905 503038782 /nfs/dbraw/zinc/03/87/82/503038782.db2.gz KBOGDNFWMHAXBY-UHFFFAOYSA-N 0 3 358.442 3.460 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501947300 503113908 /nfs/dbraw/zinc/11/39/08/503113908.db2.gz NBGOWWYHDJFIRM-ZBFHGGJFSA-N 0 3 356.426 3.221 20 5 FGBDHN C[C@@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000514232452 503120533 /nfs/dbraw/zinc/12/05/33/503120533.db2.gz MBPCZQWZMHLWHU-CVEARBPZSA-N 0 3 353.422 3.408 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510542421 503138761 /nfs/dbraw/zinc/13/87/61/503138761.db2.gz YSYRHFKDWVNZPV-UGSOOPFHSA-N 0 3 359.401 3.464 20 5 FGBDHN CSC1(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CCN(C)CC1 ZINC000514636136 503154618 /nfs/dbraw/zinc/15/46/18/503154618.db2.gz OIUWXOWDFFZTHN-UHFFFAOYSA-N 0 3 366.487 3.161 20 5 FGBDHN COc1cc(CN2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354386 503160515 /nfs/dbraw/zinc/16/05/15/503160515.db2.gz LKBFFNBZJPULQC-LBPRGKRZSA-N 0 3 356.369 3.479 20 5 FGBDHN CN(CCCOc1ccc2c(c1)OCO2)CCc1ccccc1[N+](=O)[O-] ZINC000511058892 503244099 /nfs/dbraw/zinc/24/40/99/503244099.db2.gz IRBDHXZJQHXPNN-UHFFFAOYSA-N 0 3 358.394 3.267 20 5 FGBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000507243552 503258908 /nfs/dbraw/zinc/25/89/08/503258908.db2.gz MYUJCZSYOFABCL-CHWSQXEVSA-N 0 3 367.409 3.457 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337418 506362217 /nfs/dbraw/zinc/36/22/17/506362217.db2.gz WVIUSQSJMQGOIO-SNVBAGLBSA-N 0 3 355.822 3.320 20 5 FGBDHN COCC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000507483186 503306670 /nfs/dbraw/zinc/30/66/70/503306670.db2.gz REIQRCVOJHCOST-CJNGLKHVSA-N 0 3 361.398 3.272 20 5 FGBDHN Cc1cccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000507645098 503337671 /nfs/dbraw/zinc/33/76/71/503337671.db2.gz PBZAJWRVGIDWEX-NVXWUHKLSA-N 0 3 353.422 3.469 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000503107375 503347801 /nfs/dbraw/zinc/34/78/01/503347801.db2.gz MDCUPEZMXHANPD-CZUORRHYSA-N 0 3 374.441 3.425 20 5 FGBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000511699964 503372396 /nfs/dbraw/zinc/37/23/96/503372396.db2.gz BOCUVGBYPMMBLU-INIZCTEOSA-N 0 3 357.410 3.218 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCc1cc(F)cc2c1OCOC2 ZINC000515670271 503382108 /nfs/dbraw/zinc/38/21/08/503382108.db2.gz JQPHXIVLZWBMGX-QGZVFWFLSA-N 0 3 358.369 3.420 20 5 FGBDHN COc1cc(C[NH2+]CCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1[O-] ZINC000507902582 503390998 /nfs/dbraw/zinc/39/09/98/503390998.db2.gz KNXLXGUYLIBJNY-UHFFFAOYSA-N 0 3 353.378 3.190 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000499376529 503391242 /nfs/dbraw/zinc/39/12/42/503391242.db2.gz XWCIVKCQXVDUGW-UHFFFAOYSA-N 0 3 369.393 3.139 20 5 FGBDHN C[C@@H]1CN(CC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000507916963 503396039 /nfs/dbraw/zinc/39/60/39/503396039.db2.gz FZYOTLXIXDETGF-HUUCEWRRSA-N 0 3 365.449 3.055 20 5 FGBDHN NC(=O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000493105130 503406618 /nfs/dbraw/zinc/40/66/18/503406618.db2.gz OQNMCLWNHCYURZ-GOSISDBHSA-N 0 3 353.422 3.320 20 5 FGBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000499715318 503465284 /nfs/dbraw/zinc/46/52/84/503465284.db2.gz RNRQBWAGDHGWSD-UHFFFAOYSA-N 0 3 368.437 3.093 20 5 FGBDHN COc1ccc(-c2ccc(CN(C)CCc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000508652095 503537946 /nfs/dbraw/zinc/53/79/46/503537946.db2.gz YKWHWZJLHRXPLI-UHFFFAOYSA-N 0 3 368.393 3.328 20 5 FGBDHN CS[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000494707867 503598302 /nfs/dbraw/zinc/59/83/02/503598302.db2.gz LHFVJQPSVPKBBN-JKSUJKDBSA-N 0 3 355.891 3.260 20 5 FGBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000500408251 503616030 /nfs/dbraw/zinc/61/60/30/503616030.db2.gz WMXIXIFEFYUVDS-UHFFFAOYSA-N 0 3 370.453 3.231 20 5 FGBDHN CC[C@@H]1CCCCN1CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000500421545 503621204 /nfs/dbraw/zinc/62/12/04/503621204.db2.gz GYTVELMCHBVCFX-MRXNPFEDSA-N 0 3 362.474 3.409 20 5 FGBDHN COc1ccc2c(c1)CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000532950372 503671129 /nfs/dbraw/zinc/67/11/29/503671129.db2.gz ZMJMOGUMJBQEKI-UHFFFAOYSA-N 0 3 369.421 3.380 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CN(C)Cc2ccccc21 ZINC000540153777 503691654 /nfs/dbraw/zinc/69/16/54/503691654.db2.gz QEHRZJANVXFNBB-IFXJQAMLSA-N 0 3 368.437 3.088 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000533013032 503698324 /nfs/dbraw/zinc/69/83/24/503698324.db2.gz FRGBYONTZFRWNG-CYBMUJFWSA-N 0 3 357.439 3.281 20 5 FGBDHN Cc1c(NC(=O)CCN(Cc2ccccc2)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000533295663 503794850 /nfs/dbraw/zinc/79/48/50/503794850.db2.gz HRMXDTRXMVFBJG-HNNXBMFYSA-N 0 3 371.437 3.115 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000537210579 503843463 /nfs/dbraw/zinc/84/34/63/503843463.db2.gz KNYYGDHEHZGDNU-ZNMIVQPWSA-N 0 3 363.458 3.090 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCc2ccc(OCCN(C)C)cc2)n1 ZINC000543791925 503895392 /nfs/dbraw/zinc/89/53/92/503895392.db2.gz PHACHIORLZRASB-UHFFFAOYSA-N 0 3 358.442 3.202 20 5 FGBDHN C[C@]1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCc2ccccc21 ZINC000540907127 503933164 /nfs/dbraw/zinc/93/31/64/503933164.db2.gz HZHJJOMESVDDDC-NRFANRHFSA-N 0 3 365.433 3.325 20 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369.849 3.108 20 5 FGBDHN CCC1(CC)[C@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000589508283 506574234 /nfs/dbraw/zinc/57/42/34/506574234.db2.gz GDMDECBSERIBMG-CVEARBPZSA-N 0 3 350.415 3.065 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000593660912 506717769 /nfs/dbraw/zinc/71/77/69/506717769.db2.gz QAOUUFBRIXMUJT-UONOGXRCSA-N 0 3 350.415 3.061 20 5 FGBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)CCF)ccc1Oc1ccc(F)cc1 ZINC000593687445 506731375 /nfs/dbraw/zinc/73/13/75/506731375.db2.gz BXKBRKQHNLIMOT-CQSZACIVSA-N 0 3 352.337 3.336 20 5 FGBDHN Cc1c(NC(=O)CCN2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000608866587 506731357 /nfs/dbraw/zinc/73/13/57/506731357.db2.gz ANPIQCVEKJITPG-UHFFFAOYSA-N 0 3 369.421 3.038 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593725164 506750732 /nfs/dbraw/zinc/75/07/32/506750732.db2.gz GNLQLYGTZUEINB-BBRMVZONSA-N 0 3 371.437 3.420 20 5 FGBDHN COC(=O)c1oc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1C ZINC000597133457 506794840 /nfs/dbraw/zinc/79/48/40/506794840.db2.gz SLGBOPYMRBXHFR-UHFFFAOYSA-N 0 3 357.366 3.096 20 5 FGBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593881830 506818498 /nfs/dbraw/zinc/81/84/98/506818498.db2.gz CZRXBBLZAWWXKZ-UHFFFAOYSA-N 0 3 359.348 3.172 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)[C@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000597206048 506834206 /nfs/dbraw/zinc/83/42/06/506834206.db2.gz PTLAREHPZIIUTE-WURKVNMJSA-N 0 3 360.410 3.312 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C)(N2CCOCC2)CC1 ZINC000600201466 506840717 /nfs/dbraw/zinc/84/07/17/506840717.db2.gz MUEABLLPQRNWMJ-VKAVYKQESA-N 0 3 359.470 3.185 20 5 FGBDHN C[C@@H]1[C@H](N(C)C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000590568150 506863862 /nfs/dbraw/zinc/86/38/62/506863862.db2.gz BCMSISFGNSQJAW-RHSMWYFYSA-N 0 3 353.422 3.355 20 5 FGBDHN COc1ccc(CN(C)C2(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597255972 506865145 /nfs/dbraw/zinc/86/51/45/506865145.db2.gz QRQZTRZXJJETQE-UHFFFAOYSA-N 0 3 372.421 3.139 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2n(C)c1=O ZINC000593986436 506865984 /nfs/dbraw/zinc/86/59/84/506865984.db2.gz BAJWVQSGVFTVEO-UHFFFAOYSA-N 0 3 351.406 3.121 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442627 506882567 /nfs/dbraw/zinc/88/25/67/506882567.db2.gz LBFFDIWBAZRQRK-MRXNPFEDSA-N 0 3 371.412 3.376 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594200267 507003476 /nfs/dbraw/zinc/00/34/76/507003476.db2.gz KKFQPLYRHMXGBX-IAOVAPTHSA-N 0 3 363.483 3.209 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594231103 507027665 /nfs/dbraw/zinc/02/76/65/507027665.db2.gz AIUGHQLTALZUOZ-BHYGNILZSA-N 0 3 360.458 3.280 20 5 FGBDHN CC(C)(NC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283618 507061264 /nfs/dbraw/zinc/06/12/64/507061264.db2.gz LQVHGTJHUIWECJ-DOTOQJQBSA-N 0 3 360.458 3.146 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597709949 507069909 /nfs/dbraw/zinc/06/99/09/507069909.db2.gz DYINTODAUOIQKD-KRWDZBQOSA-N 0 3 351.834 3.115 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597859625 507137130 /nfs/dbraw/zinc/13/71/30/507137130.db2.gz WNSXMQZJMUPMQC-ZDUSSCGKSA-N 0 3 351.422 3.001 20 5 FGBDHN COCC[C@@H]1CCCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613548316 507148053 /nfs/dbraw/zinc/14/80/53/507148053.db2.gz NFBDMDFIZSYDAF-AWEZNQCLSA-N 0 3 350.415 3.005 20 5 FGBDHN CCC(C)(C)N1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000594595455 507200065 /nfs/dbraw/zinc/20/00/65/507200065.db2.gz YPDHNGMPDRWOFM-UHFFFAOYSA-N 0 3 362.474 3.044 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000610344271 507202598 /nfs/dbraw/zinc/20/25/98/507202598.db2.gz LUTKXSWDQGYYCU-KBRIMQKVSA-N 0 3 361.442 3.249 20 5 FGBDHN COc1cc(CN[C@H]2C[C@@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000601140597 507276141 /nfs/dbraw/zinc/27/61/41/507276141.db2.gz ZFECAFGQSKUMSJ-CALCHBBNSA-N 0 3 372.421 3.043 20 5 FGBDHN CN1CCC(Oc2ccc(CNc3ncc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000601161560 507282638 /nfs/dbraw/zinc/28/26/38/507282638.db2.gz NOUXOFROUSXELF-UHFFFAOYSA-N 0 3 360.389 3.214 20 5 FGBDHN Cc1ccc(CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000601164228 507284205 /nfs/dbraw/zinc/28/42/05/507284205.db2.gz QMOVLTNYZMWAQS-AWEZNQCLSA-N 0 3 362.451 3.200 20 5 FGBDHN Cc1cccc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598195203 507307569 /nfs/dbraw/zinc/30/75/69/507307569.db2.gz LZVFXQVTLZWNIO-GOSISDBHSA-N 0 3 367.449 3.292 20 5 FGBDHN COc1ccc2c(c1)OCC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591744239 507344117 /nfs/dbraw/zinc/34/41/17/507344117.db2.gz JEDADADDTRFITO-OAHLLOKOSA-N 0 3 371.393 3.045 20 5 FGBDHN CC(C)(C)N1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC000584669378 507440642 /nfs/dbraw/zinc/44/06/42/507440642.db2.gz SWLQPQBTXSZGSG-ZIAGYGMSSA-N 0 3 373.375 3.120 20 5 FGBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595260679 507442833 /nfs/dbraw/zinc/44/28/33/507442833.db2.gz HZCBTVMZSGEULO-ZIAGYGMSSA-N 0 3 369.462 3.244 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN(Cc1ccc(CO)cc1)[C@H]1CC[C@H](O)CC1 ZINC000592133027 507499046 /nfs/dbraw/zinc/49/90/46/507499046.db2.gz ROJBGDWKAQIAIE-MXVIHJGJSA-N 0 3 370.449 3.393 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000584823607 507525953 /nfs/dbraw/zinc/52/59/53/507525953.db2.gz GDCSAHWSBYYZDN-UHFFFAOYSA-N 0 3 363.461 3.286 20 5 FGBDHN CC(C)(C)[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611199010 507558176 /nfs/dbraw/zinc/55/81/76/507558176.db2.gz ILBVAQWCKFYWQK-DYVFJYSZSA-N 0 3 350.415 3.049 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595616206 507594329 /nfs/dbraw/zinc/59/43/29/507594329.db2.gz QWHUGMSFBZIDFX-UHFFFAOYSA-N 0 3 373.409 3.405 20 5 FGBDHN CC(C)(C)O[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000595778505 507680311 /nfs/dbraw/zinc/68/03/11/507680311.db2.gz SFFIGVVVGMANNB-HZPDHXFCSA-N 0 3 361.442 3.249 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CCCC2=O)CC1 ZINC000595804604 507695474 /nfs/dbraw/zinc/69/54/74/507695474.db2.gz ALPBBPGVSNYUBY-UHFFFAOYSA-N 0 3 359.426 3.067 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595818026 507698631 /nfs/dbraw/zinc/69/86/31/507698631.db2.gz CMGBHINFSWVDBB-HIFPTAJRSA-N 0 3 353.394 3.048 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ccon2)CC1 ZINC000595828839 507703433 /nfs/dbraw/zinc/70/34/33/507703433.db2.gz OBOGGDWZQAWNKL-UHFFFAOYSA-N 0 3 358.398 3.099 20 5 FGBDHN COc1cc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000611516325 507715582 /nfs/dbraw/zinc/71/55/82/507715582.db2.gz BXGIRYNDRRMMHC-GOSISDBHSA-N 0 3 355.438 3.310 20 5 FGBDHN O=[N+]([O-])c1ccc(CCNc2ccccc2CN2CCC(O)CC2)cc1 ZINC000602488581 507724664 /nfs/dbraw/zinc/72/46/64/507724664.db2.gz VZJIKUDVCVPPFX-UHFFFAOYSA-N 0 3 355.438 3.206 20 5 FGBDHN COc1ccc2cc(CN(C)CCn3c(C)ncc3[N+](=O)[O-])ccc2c1 ZINC000611567799 507743867 /nfs/dbraw/zinc/74/38/67/507743867.db2.gz BIKHVCIRPIVNRJ-UHFFFAOYSA-N 0 3 354.410 3.394 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254263 607015064 /nfs/dbraw/zinc/01/50/64/607015064.db2.gz OHCFFFQSKWPREF-KGLIPLIRSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254263 607015066 /nfs/dbraw/zinc/01/50/66/607015066.db2.gz OHCFFFQSKWPREF-KGLIPLIRSA-N 0 3 366.425 3.447 20 5 FGBDHN CN(CCOc1ccc(Cl)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812582 704864873 /nfs/dbraw/zinc/86/48/73/704864873.db2.gz OPBFTMULVOHBGK-KRWDZBQOSA-N 0 3 350.802 3.292 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000311059593 713801499 /nfs/dbraw/zinc/80/14/99/713801499.db2.gz WQFCEHFEFQQMPW-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000763964722 723381961 /nfs/dbraw/zinc/38/19/61/723381961.db2.gz SNWFXNKMGOFFCT-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN COCCN1CCC[C@@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804439268 724517341 /nfs/dbraw/zinc/51/73/41/724517341.db2.gz VTKWXYUNHVUTHT-GFCCVEGCSA-N 0 3 372.263 3.188 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000804812747 724553044 /nfs/dbraw/zinc/55/30/44/724553044.db2.gz SJVGCMLAFQGWKS-AAEUAGOBSA-N 0 3 367.833 3.098 20 5 FGBDHN O=[N+]([O-])c1ccc2nc(NC3CCN(C[C@H]4CCCO4)CC3)sc2c1 ZINC000731206445 722473943 /nfs/dbraw/zinc/47/39/43/722473943.db2.gz HZPPYYVVXUSSJS-CQSZACIVSA-N 0 3 362.455 3.260 20 5 FGBDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000748243363 722681486 /nfs/dbraw/zinc/68/14/86/722681486.db2.gz ZBQUIQPSEYPUTI-AWEZNQCLSA-N 0 3 359.220 3.179 20 5 FGBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809215831 725234737 /nfs/dbraw/zinc/23/47/37/725234737.db2.gz XCDLHPZSEDIXHG-AWEZNQCLSA-N 0 3 350.802 3.120 20 5 FGBDHN CC(C)Oc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813102504 726838834 /nfs/dbraw/zinc/83/88/34/726838834.db2.gz GTYKMRYRGPLMHM-LLVKDONJSA-N 0 3 350.396 3.419 20 5 FGBDHN CC(COC(=O)CCc1cc(Cl)ccc1Br)[N+](=O)[O-] ZINC000813105683 726839569 /nfs/dbraw/zinc/83/95/69/726839569.db2.gz RPZZPSSRXNDKKI-QMMMGPOBSA-N 0 3 350.596 3.244 20 5 FGBDHN CC(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813110983 726840496 /nfs/dbraw/zinc/84/04/96/726840496.db2.gz NPHXGCIXHSSTEP-LLVKDONJSA-N 0 3 362.769 3.414 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206609 727052223 /nfs/dbraw/zinc/05/22/23/727052223.db2.gz AQIXXZJQHXCFQU-MSOLQXFVSA-N 0 3 362.813 3.435 20 5 FGBDHN C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000820873826 729039463 /nfs/dbraw/zinc/03/94/63/729039463.db2.gz IISBHCVRWPYHEC-ZDUSSCGKSA-N 0 3 365.861 3.124 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000831307532 729631875 /nfs/dbraw/zinc/63/18/75/729631875.db2.gz CKUOIZJONJXIHB-GJZGRUSLSA-N 0 3 367.833 3.124 20 5 FGBDHN CC([C@H](OC(=O)CSC[C@@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873449 730904803 /nfs/dbraw/zinc/90/48/03/730904803.db2.gz DHHFLFJFKQLFOB-IGCXYCKISA-N 0 3 371.430 3.378 20 5 FGBDHN CC([C@H](OC(=O)CSC[C@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873452 730904995 /nfs/dbraw/zinc/90/49/95/730904995.db2.gz DHHFLFJFKQLFOB-XNJGSVPQSA-N 0 3 371.430 3.378 20 5 FGBDHN CC([C@H](OC(=O)CCn1cc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878125 730905525 /nfs/dbraw/zinc/90/55/25/730905525.db2.gz UMLNNJLALBZMNS-BMIGLBTASA-N 0 3 355.753 3.015 20 5 FGBDHN CO[C@H](CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])C(F)(F)F ZINC000845882581 730906157 /nfs/dbraw/zinc/90/61/57/730906157.db2.gz WETNWYUPMBLUQZ-RLCGTCKNSA-N 0 3 353.268 3.043 20 5 FGBDHN COC(=O)N1CCC([C@@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872063509 735583389 /nfs/dbraw/zinc/58/33/89/735583389.db2.gz QTTPRQPLWWRXTL-VXGBXAGGSA-N 0 3 353.394 3.251 20 5 FGBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000872249396 735609609 /nfs/dbraw/zinc/60/96/09/735609609.db2.gz NWAQQNJJLCLWOD-QMTHXVAHSA-N 0 3 355.316 3.393 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874831833 735935963 /nfs/dbraw/zinc/93/59/63/735935963.db2.gz BBOIVNIHHNJZFN-CVEARBPZSA-N 0 3 363.483 3.406 20 5 FGBDHN COC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000883219140 737537296 /nfs/dbraw/zinc/53/72/96/737537296.db2.gz MUWIVINREHQJNY-SWLSCSKDSA-N 0 3 362.348 3.145 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000903086643 743803018 /nfs/dbraw/zinc/80/30/18/743803018.db2.gz AQMGVUUZROSQSG-GFCCVEGCSA-N 0 3 351.204 3.248 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000908358053 744282198 /nfs/dbraw/zinc/28/21/98/744282198.db2.gz KLNXAGVKWXYSKV-NSHDSACASA-N 0 3 369.824 3.334 20 5 FGBDHN C[C@H](N[C@H]1CCOC12CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000934388790 761619501 /nfs/dbraw/zinc/61/95/01/761619501.db2.gz AEPJCFXRHBARDW-NHYWBVRUSA-N 0 3 367.833 3.267 20 5 FGBDHN C[C@@H](N[C@H]1CCOC12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934389372 761619682 /nfs/dbraw/zinc/61/96/82/761619682.db2.gz DBRSDBVKNGIGJP-ABAIWWIYSA-N 0 3 367.833 3.267 20 5 FGBDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C[C@@H]1C ZINC000570854946 505596086 /nfs/dbraw/zinc/59/60/86/505596086.db2.gz QQNASNLCYNOGGP-UONOGXRCSA-N 0 3 370.457 3.107 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000076389143 493882273 /nfs/dbraw/zinc/88/22/73/493882273.db2.gz KVWMGBFXUPSTDQ-QGZVFWFLSA-N 0 3 367.449 3.260 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060380203 493928791 /nfs/dbraw/zinc/92/87/91/493928791.db2.gz SAFZHYCKKACRED-ZDUSSCGKSA-N 0 3 374.407 3.299 20 5 FGBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051855269 493990733 /nfs/dbraw/zinc/99/07/33/493990733.db2.gz UNUSMHWZDBFSJK-OAHLLOKOSA-N 0 3 367.409 3.247 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000063548417 494065159 /nfs/dbraw/zinc/06/51/59/494065159.db2.gz QUKOBAZSVFICNT-HNNXBMFYSA-N 0 3 370.327 3.143 20 5 FGBDHN COc1ccc(C(C)(C)CN[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000063774580 494086194 /nfs/dbraw/zinc/08/61/94/494086194.db2.gz GDCIKGLLFLOSLX-CQSZACIVSA-N 0 3 371.437 3.498 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000041904676 494186697 /nfs/dbraw/zinc/18/66/97/494186697.db2.gz WTLZZBSIGPBYDR-GOSISDBHSA-N 0 3 356.426 3.111 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065937288 494258802 /nfs/dbraw/zinc/25/88/02/494258802.db2.gz HNBNUHFYRLYLPL-UHFFFAOYSA-N 0 3 369.393 3.139 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000065992169 494266599 /nfs/dbraw/zinc/26/65/99/494266599.db2.gz REDPKVLOQVWGGQ-UHFFFAOYSA-N 0 3 353.422 3.123 20 5 FGBDHN Cc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000043148471 494270613 /nfs/dbraw/zinc/27/06/13/494270613.db2.gz ZMTHSIDPQXYKHE-QGZVFWFLSA-N 0 3 356.426 3.198 20 5 FGBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000043347768 494289858 /nfs/dbraw/zinc/28/98/58/494289858.db2.gz DQTAOGMGFIUTCE-UHFFFAOYSA-N 0 3 356.426 3.499 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000089603280 494330438 /nfs/dbraw/zinc/33/04/38/494330438.db2.gz SFJLRUAARKHZLD-ZDUSSCGKSA-N 0 3 359.348 3.279 20 5 FGBDHN COC[C@@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000580262274 505715650 /nfs/dbraw/zinc/71/56/50/505715650.db2.gz RTKIEQBIFOPNND-VHTFYLNKSA-N 0 3 368.433 3.312 20 5 FGBDHN COc1ccc(CN2CCC(CNc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000066811103 494414128 /nfs/dbraw/zinc/41/41/28/494414128.db2.gz ITSQQORETCGKDD-UHFFFAOYSA-N 0 3 356.426 3.323 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073900314 494445086 /nfs/dbraw/zinc/44/50/86/494445086.db2.gz WMRDRHFQNLNSEF-IBGZPJMESA-N 0 3 368.437 3.011 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000045623722 494445610 /nfs/dbraw/zinc/44/56/10/494445610.db2.gz ADMYYFCEUHHLRN-UHFFFAOYSA-N 0 3 368.437 3.012 20 5 FGBDHN Cc1ccc([C@@H](C)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000090936933 494504591 /nfs/dbraw/zinc/50/45/91/494504591.db2.gz PGVYCYBLCXNULD-OAHLLOKOSA-N 0 3 358.442 3.089 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000056465505 494511737 /nfs/dbraw/zinc/51/17/37/494511737.db2.gz WQXCFCSICAAJIK-LJQANCHMSA-N 0 3 370.453 3.477 20 5 FGBDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571419726 505730005 /nfs/dbraw/zinc/73/00/05/505730005.db2.gz HRGVCOXZBRQYEN-YXJHDRRASA-N 0 3 366.483 3.308 20 5 FGBDHN CCc1cc(N[C@@H]2CCN(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067711404 494620917 /nfs/dbraw/zinc/62/09/17/494620917.db2.gz SMHJEBHGFSQXSF-OAHLLOKOSA-N 0 3 353.426 3.263 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000108342653 494685887 /nfs/dbraw/zinc/68/58/87/494685887.db2.gz IRGHVYGJMSOKAZ-OAHLLOKOSA-N 0 3 369.421 3.459 20 5 FGBDHN Cc1ccc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000126337894 494716170 /nfs/dbraw/zinc/71/61/70/494716170.db2.gz NHTIMNNMYRIELV-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(C)cc1 ZINC000026224414 494810643 /nfs/dbraw/zinc/81/06/43/494810643.db2.gz BPDRVEYDQRYWRG-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCc2cccnc21 ZINC000126947140 494867161 /nfs/dbraw/zinc/86/71/61/494867161.db2.gz UTVFEPMNYHRVCO-GOSISDBHSA-N 0 3 370.453 3.187 20 5 FGBDHN COc1ccc(CN(C)CC[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093481914 494896492 /nfs/dbraw/zinc/89/64/92/494896492.db2.gz CBVBBQZAMKAGEP-OAHLLOKOSA-N 0 3 374.437 3.385 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2ccccc2)C1 ZINC000117337055 494911906 /nfs/dbraw/zinc/91/19/06/494911906.db2.gz RNDHFBINSZRSJN-INIZCTEOSA-N 0 3 367.405 3.382 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000127323708 494928608 /nfs/dbraw/zinc/92/86/08/494928608.db2.gz FZWATVZIXJDFGY-CRAIPNDOSA-N 0 3 368.437 3.057 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccsc2C1 ZINC000132935919 494945172 /nfs/dbraw/zinc/94/51/72/494945172.db2.gz ATSSITCZDJRLSE-UHFFFAOYSA-N 0 3 361.423 3.052 20 5 FGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1 ZINC000110352563 494972933 /nfs/dbraw/zinc/97/29/33/494972933.db2.gz JSONGHRRGVCOKQ-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN O=C1[C@@H](N[C@@H](c2ccccc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128101448 495044155 /nfs/dbraw/zinc/04/41/55/495044155.db2.gz UESIVNYTNAIBOL-OALUTQOASA-N 0 3 351.406 3.441 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COCC3CC3)s2)cc1 ZINC000102425887 495136468 /nfs/dbraw/zinc/13/64/68/495136468.db2.gz GEQZXMMBRPTAMJ-INIZCTEOSA-N 0 3 362.451 3.200 20 5 FGBDHN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C)cc1 ZINC000102684522 495153413 /nfs/dbraw/zinc/15/34/13/495153413.db2.gz NZZAUHHPDGRBNO-AWEZNQCLSA-N 0 3 371.393 3.311 20 5 FGBDHN CCC[C@@H](NCc1cccc(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000128869264 495162168 /nfs/dbraw/zinc/16/21/68/495162168.db2.gz SRSZKOFTZQQINE-GOSISDBHSA-N 0 3 357.410 3.090 20 5 FGBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000129044042 495187879 /nfs/dbraw/zinc/18/78/79/495187879.db2.gz NGLBOGNEKGCMRE-UHFFFAOYSA-N 0 3 361.467 3.098 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCC(C)CC1 ZINC000119579438 495195139 /nfs/dbraw/zinc/19/51/39/495195139.db2.gz SXEDNKDOWAODHA-INIZCTEOSA-N 0 3 374.485 3.389 20 5 FGBDHN CN(CC1CCN(C)CC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103451093 495233809 /nfs/dbraw/zinc/23/38/09/495233809.db2.gz BJOIZOAPUSRTMV-UHFFFAOYSA-N 0 3 374.466 3.132 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CCC(O)CC1 ZINC000135332215 495278642 /nfs/dbraw/zinc/27/86/42/495278642.db2.gz VILOBLZHKROJMC-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000135714692 495327843 /nfs/dbraw/zinc/32/78/43/495327843.db2.gz MLLHZMGMCYWXMM-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000120225566 495331404 /nfs/dbraw/zinc/33/14/04/495331404.db2.gz JYBICQZILHKROE-GOSISDBHSA-N 0 3 357.410 3.307 20 5 FGBDHN O=[N+]([O-])c1ccccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000106071939 495409697 /nfs/dbraw/zinc/40/96/97/495409697.db2.gz BTPVSFWJXWQQBU-UHFFFAOYSA-N 0 3 354.454 3.215 20 5 FGBDHN CC(C)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000114774347 495423722 /nfs/dbraw/zinc/42/37/22/495423722.db2.gz LGARTCPIRGYUQK-MRXNPFEDSA-N 0 3 359.451 3.422 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000137574541 495445335 /nfs/dbraw/zinc/44/53/35/495445335.db2.gz ABGJOFQVZXEDKT-CYBMUJFWSA-N 0 3 351.472 3.024 20 5 FGBDHN Cc1nccn1CCCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860244 495457462 /nfs/dbraw/zinc/45/74/62/495457462.db2.gz WZPSQGLPLSRBDQ-CYBMUJFWSA-N 0 3 370.413 3.233 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173463352 495541440 /nfs/dbraw/zinc/54/14/40/495541440.db2.gz AUABQYQLXXFGQH-UHFFFAOYSA-N 0 3 355.438 3.248 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185348191 495541422 /nfs/dbraw/zinc/54/14/22/495541422.db2.gz SXUUJYWROJRIND-HXUWFJFHSA-N 0 3 367.449 3.164 20 5 FGBDHN C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000158599242 495546268 /nfs/dbraw/zinc/54/62/68/495546268.db2.gz DQBKGJLSYXSJEX-YWZLYKJASA-N 0 3 373.428 3.458 20 5 FGBDHN O=[N+]([O-])c1ccn(CCNC2(c3cccc(Br)c3)CCC2)n1 ZINC000176224907 495553192 /nfs/dbraw/zinc/55/31/92/495553192.db2.gz RDRPZJZITWYJKQ-UHFFFAOYSA-N 0 3 365.231 3.223 20 5 FGBDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000147292749 495574144 /nfs/dbraw/zinc/57/41/44/495574144.db2.gz LMAXHUPTPCBGCK-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN COc1cc(CSCCN(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000182748889 495687917 /nfs/dbraw/zinc/68/79/17/495687917.db2.gz QRKVZLJUXFGRBV-UHFFFAOYSA-N 0 3 350.387 3.042 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CCCO)c1ccccc1 ZINC000179737612 495711842 /nfs/dbraw/zinc/71/18/42/495711842.db2.gz ZSFOAYSGZSCNJP-GOSISDBHSA-N 0 3 371.437 3.335 20 5 FGBDHN COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)N(C)C)cc1OC ZINC000173912780 495744437 /nfs/dbraw/zinc/74/44/37/495744437.db2.gz PQUBGKLSSBAJHK-HNNXBMFYSA-N 0 3 360.414 3.030 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000182919994 495757875 /nfs/dbraw/zinc/75/78/75/495757875.db2.gz OUZBJPOZVGGQHN-QMTMVMCOSA-N 0 3 357.454 3.440 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NCC1CCN(c2ccncc2)CC1 ZINC000180046347 495835760 /nfs/dbraw/zinc/83/57/60/495835760.db2.gz UNTDHOLDGLYBGQ-UHFFFAOYSA-N 0 3 356.426 3.465 20 5 FGBDHN CCc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000174177453 495851002 /nfs/dbraw/zinc/85/10/02/495851002.db2.gz CZGNUEVNJYUOKM-UHFFFAOYSA-N 0 3 371.437 3.028 20 5 FGBDHN O=C(CCN1Cc2ccccc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186231414 495906385 /nfs/dbraw/zinc/90/63/85/495906385.db2.gz OAXHXDQVSVLVBX-UHFFFAOYSA-N 0 3 351.406 3.471 20 5 FGBDHN O=C(CN[C@H](Cc1ccccc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183397450 495964748 /nfs/dbraw/zinc/96/47/48/495964748.db2.gz CCRVAKAZXKDJPK-LJQANCHMSA-N 0 3 365.433 3.095 20 5 FGBDHN C[C@H](NC[C@H](O)COCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180443787 495999071 /nfs/dbraw/zinc/99/90/71/495999071.db2.gz VRQHAWSDYOAKKN-GUYCJALGSA-N 0 3 364.829 3.477 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171776283 496032878 /nfs/dbraw/zinc/03/28/78/496032878.db2.gz SMXIFUUXEGYTIC-GOSISDBHSA-N 0 3 362.474 3.389 20 5 FGBDHN CC[C@](C)(CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000152177236 496071205 /nfs/dbraw/zinc/07/12/05/496071205.db2.gz TUBSLXRURPNHDY-HXUWFJFHSA-N 0 3 374.437 3.433 20 5 FGBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](C)c1ccccc1 ZINC000177478109 496076626 /nfs/dbraw/zinc/07/66/26/496076626.db2.gz WRPSEPYBFXGCLR-ZRGWGRIASA-N 0 3 353.422 3.482 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177482549 496079416 /nfs/dbraw/zinc/07/94/16/496079416.db2.gz JYHVONDWYXSJHV-CALCHBBNSA-N 0 3 361.486 3.306 20 5 FGBDHN CN(CCc1ccncc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183758064 496104979 /nfs/dbraw/zinc/10/49/79/496104979.db2.gz ZWJGGNZOSWMELC-UHFFFAOYSA-N 0 3 351.410 3.065 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000174862277 496137541 /nfs/dbraw/zinc/13/75/41/496137541.db2.gz HCZXPFZUJFNDLK-MRXNPFEDSA-N 0 3 366.425 3.061 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000161307404 496148822 /nfs/dbraw/zinc/14/88/22/496148822.db2.gz CGTVCAPUSHAPEW-BBRMVZONSA-N 0 3 363.483 3.263 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000161397915 496169005 /nfs/dbraw/zinc/16/90/05/496169005.db2.gz QRAOZWWIZBDLGQ-UHFFFAOYSA-N 0 3 373.428 3.371 20 5 FGBDHN O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424778 496293700 /nfs/dbraw/zinc/29/37/00/496293700.db2.gz QPPIMVMGJRJQFN-QGZVFWFLSA-N 0 3 365.433 3.396 20 5 FGBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000574700705 505835286 /nfs/dbraw/zinc/83/52/86/505835286.db2.gz HLOIQCRZERDYOV-MRXNPFEDSA-N 0 3 374.485 3.181 20 5 FGBDHN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187244931 496358101 /nfs/dbraw/zinc/35/81/01/496358101.db2.gz CABQNTKRKCODFH-QRWLVFNGSA-N 0 3 355.438 3.335 20 5 FGBDHN CCOc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187253800 496361522 /nfs/dbraw/zinc/36/15/22/496361522.db2.gz HQUIZRNKBKVMSG-AUUYWEPGSA-N 0 3 371.437 3.415 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000574732350 505843241 /nfs/dbraw/zinc/84/32/41/505843241.db2.gz NUFNKJGVFFEMHH-CQSZACIVSA-N 0 3 366.421 3.326 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172976107 496506509 /nfs/dbraw/zinc/50/65/09/496506509.db2.gz GHOIJFGFUGARJA-UHFFFAOYSA-N 0 3 355.438 3.036 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000172982517 496508424 /nfs/dbraw/zinc/50/84/24/496508424.db2.gz WFDCADUHPRONJV-INIZCTEOSA-N 0 3 359.451 3.152 20 5 FGBDHN Cc1cnc(CCN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000157723222 496537857 /nfs/dbraw/zinc/53/78/57/496537857.db2.gz ALOFIFWDUQVBDM-UHFFFAOYSA-N 0 3 362.455 3.171 20 5 FGBDHN Cc1cnc(CCN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000157754743 496546146 /nfs/dbraw/zinc/54/61/46/496546146.db2.gz HUBNOFGSEVCOKT-UHFFFAOYSA-N 0 3 362.455 3.171 20 5 FGBDHN Cc1cc(NC(=O)NCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000153749580 496566489 /nfs/dbraw/zinc/56/64/89/496566489.db2.gz DDMQKVGKVVNNCP-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN COc1ccccc1[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158025080 496611512 /nfs/dbraw/zinc/61/15/12/496611512.db2.gz VNUWLDWZRKKJOQ-HNNXBMFYSA-N 0 3 369.421 3.422 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173393880 496672848 /nfs/dbraw/zinc/67/28/48/496672848.db2.gz BGFTWRUMXNDMLR-MRXNPFEDSA-N 0 3 369.465 3.402 20 5 FGBDHN CCC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000182334063 496730090 /nfs/dbraw/zinc/73/00/90/496730090.db2.gz RHPKEIZETMOJJD-AWEZNQCLSA-N 0 3 371.393 3.393 20 5 FGBDHN Cc1noc(C[C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277316142 496734059 /nfs/dbraw/zinc/73/40/59/496734059.db2.gz UXNSORORBHJNDA-SFHVURJKSA-N 0 3 352.394 3.402 20 5 FGBDHN COCC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000273321404 496773457 /nfs/dbraw/zinc/77/34/57/496773457.db2.gz WYTMKWJVCXCXSQ-HNNXBMFYSA-N 0 3 361.398 3.192 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247529173 496879918 /nfs/dbraw/zinc/87/99/18/496879918.db2.gz XBZHOYBWXWJXRN-BLLLJJGKSA-N 0 3 374.466 3.131 20 5 FGBDHN O=C(Nc1ccc2c(c1)CNCC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000269212650 496896291 /nfs/dbraw/zinc/89/62/91/496896291.db2.gz OIKNBWWIVRCDHU-UHFFFAOYSA-N 0 3 366.421 3.093 20 5 FGBDHN O=[N+]([O-])c1cnc(Nc2ccc(CCN3CCSCC3)cc2)s1 ZINC000195511810 496947761 /nfs/dbraw/zinc/94/77/61/496947761.db2.gz HPNYCZYPPSUHLW-UHFFFAOYSA-N 0 3 350.469 3.386 20 5 FGBDHN CSc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195625258 496955785 /nfs/dbraw/zinc/95/57/85/496955785.db2.gz UQGMZFAASXJUOV-HZSPNIEDSA-N 0 3 365.499 3.413 20 5 FGBDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574898962 505878962 /nfs/dbraw/zinc/87/89/62/505878962.db2.gz HIBHVRCWVZXYPR-MAUKXSAKSA-N 0 3 368.437 3.079 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000192140449 497010315 /nfs/dbraw/zinc/01/03/15/497010315.db2.gz MFPBTLAPHSAWLR-QZTJIDSGSA-N 0 3 364.348 3.372 20 5 FGBDHN CN1CC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278160825 497023783 /nfs/dbraw/zinc/02/37/83/497023783.db2.gz AIHKPCQTTMSXTJ-MRVPVSSYSA-N 0 3 354.279 3.008 20 5 FGBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189485976 497133968 /nfs/dbraw/zinc/13/39/68/497133968.db2.gz LBOUKSNZQXPKMK-JKSUJKDBSA-N 0 3 351.472 3.212 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249121324 497170292 /nfs/dbraw/zinc/17/02/92/497170292.db2.gz ZIOYKOAABNCPCJ-ROUUACIJSA-N 0 3 354.410 3.470 20 5 FGBDHN C[C@H](c1ccccn1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817468 497174161 /nfs/dbraw/zinc/17/41/61/497174161.db2.gz JDOGZTLSJVNQOT-CQSZACIVSA-N 0 3 366.425 3.139 20 5 FGBDHN CN(C)C(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237149285 497198624 /nfs/dbraw/zinc/19/86/24/497198624.db2.gz ZZJVFKFSUHVLNF-UHFFFAOYSA-N 0 3 351.790 3.076 20 5 FGBDHN Cc1cccc2nc(C3CCN(CCn4ccc([N+](=O)[O-])n4)CC3)oc21 ZINC000189806378 497250456 /nfs/dbraw/zinc/25/04/56/497250456.db2.gz NPAVQGHVACJDRW-UHFFFAOYSA-N 0 3 355.398 3.121 20 5 FGBDHN Cc1cccc2nc(C3CCN(CCn4cc([N+](=O)[O-])cn4)CC3)oc21 ZINC000189819559 497256150 /nfs/dbraw/zinc/25/61/50/497256150.db2.gz DBSAXMOYXFDDGY-UHFFFAOYSA-N 0 3 355.398 3.121 20 5 FGBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccccc1 ZINC000266138957 497265560 /nfs/dbraw/zinc/26/55/60/497265560.db2.gz QAIFWYHZRHJIAM-GOSISDBHSA-N 0 3 370.409 3.266 20 5 FGBDHN COC(=O)COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192998640 497270149 /nfs/dbraw/zinc/27/01/49/497270149.db2.gz QYHZPPIKFWLTDQ-LJQANCHMSA-N 0 3 370.405 3.314 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Cn4cncn4)CC3)o2)cc1 ZINC000189978100 497312208 /nfs/dbraw/zinc/31/22/08/497312208.db2.gz XPAJVLAHTVJUED-UHFFFAOYSA-N 0 3 367.409 3.359 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000190017641 497326643 /nfs/dbraw/zinc/32/66/43/497326643.db2.gz UOQURCZFYCXCAI-RDJZCZTQSA-N 0 3 363.483 3.138 20 5 FGBDHN C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000194003029 497545255 /nfs/dbraw/zinc/54/52/55/497545255.db2.gz URUWCUFYWDJEIW-MFKMUULPSA-N 0 3 370.247 3.464 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267971071 497649304 /nfs/dbraw/zinc/64/93/04/497649304.db2.gz CEZTVVFMHMIXJL-UHFFFAOYSA-N 0 3 357.366 3.138 20 5 FGBDHN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000272549604 497658391 /nfs/dbraw/zinc/65/83/91/497658391.db2.gz QZURHCPWRSEUEE-LPHOPBHVSA-N 0 3 371.485 3.128 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000191089721 497705485 /nfs/dbraw/zinc/70/54/85/497705485.db2.gz RNJBQTBNXHMCNQ-UHFFFAOYSA-N 0 3 372.425 3.199 20 5 FGBDHN O=[N+]([O-])c1c(N[C@H]2CCCN(Cc3ccccc3)C2)nc2sccn21 ZINC000301111565 497956166 /nfs/dbraw/zinc/95/61/66/497956166.db2.gz YZBOVMGMURCLKM-AWEZNQCLSA-N 0 3 357.439 3.381 20 5 FGBDHN CC1=C[C@H](C)C[C@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000578585167 505973051 /nfs/dbraw/zinc/97/30/51/505973051.db2.gz WHVWSKXEDWYKOO-RDJZCZTQSA-N 0 3 357.454 3.345 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCN(C2CCOCC2)CC1 ZINC000301360766 498075196 /nfs/dbraw/zinc/07/51/96/498075196.db2.gz MBXAZKPTZZUMQT-UHFFFAOYSA-N 0 3 373.375 3.305 20 5 FGBDHN Cc1ccnc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301585562 498175364 /nfs/dbraw/zinc/17/53/64/498175364.db2.gz VYTOUFZZJDULNA-HZPDHXFCSA-N 0 3 362.474 3.014 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C)n3)cc2)CC1 ZINC000301642759 498202203 /nfs/dbraw/zinc/20/22/03/498202203.db2.gz MTSKLRWPPWZKJL-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286171297 498313999 /nfs/dbraw/zinc/31/39/99/498313999.db2.gz WUBPGUJWKMHALI-CJNGLKHVSA-N 0 3 360.414 3.160 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293645780 498441065 /nfs/dbraw/zinc/44/10/65/498441065.db2.gz HUBCCBKRLCHCPE-LBPRGKRZSA-N 0 3 351.834 3.195 20 5 FGBDHN C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293749048 498477071 /nfs/dbraw/zinc/47/70/71/498477071.db2.gz SIHCCEFMEPEZMA-GFCCVEGCSA-N 0 3 351.834 3.195 20 5 FGBDHN CCc1nn(C)c(NC[C@@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302436428 498483517 /nfs/dbraw/zinc/48/35/17/498483517.db2.gz PQHVMFUVEPDKKM-LJQANCHMSA-N 0 3 357.458 3.357 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293805736 498495874 /nfs/dbraw/zinc/49/58/74/498495874.db2.gz AKFKEHKKRVZVKD-INIZCTEOSA-N 0 3 372.252 3.460 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912051 498608464 /nfs/dbraw/zinc/60/84/64/498608464.db2.gz TZSNGZFEWIJRKQ-SMDDNHRTSA-N 0 3 371.359 3.170 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365744823 498622210 /nfs/dbraw/zinc/62/22/10/498622210.db2.gz AILPXDUDJFXYAZ-RDJZCZTQSA-N 0 3 371.462 3.250 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000297999666 498633293 /nfs/dbraw/zinc/63/32/93/498633293.db2.gz ZEOBKHBSQBUGFF-IUODEOHRSA-N 0 3 351.834 3.113 20 5 FGBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287330877 498718904 /nfs/dbraw/zinc/71/89/04/498718904.db2.gz VLELGULZCWESLU-NHYWBVRUSA-N 0 3 371.359 3.312 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1cccn1C ZINC000298606020 498827677 /nfs/dbraw/zinc/82/76/77/498827677.db2.gz LTBPBGAYALDJCM-KRWDZBQOSA-N 0 3 372.425 3.108 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc3c(c2)OCCCO3)n1 ZINC000579193462 506113935 /nfs/dbraw/zinc/11/39/35/506113935.db2.gz PMZNBLHREAROJH-HZPDHXFCSA-N 0 3 372.425 3.226 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295365411 498993963 /nfs/dbraw/zinc/99/39/63/498993963.db2.gz OBHMVYFMELZLHU-ZDUSSCGKSA-N 0 3 371.359 3.360 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC12CCN(C)CC2 ZINC000363803518 499001643 /nfs/dbraw/zinc/00/16/43/499001643.db2.gz UUPVYHRNTNKWSP-KRWDZBQOSA-N 0 3 359.470 3.250 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])s1 ZINC000299441425 499059752 /nfs/dbraw/zinc/05/97/52/499059752.db2.gz KNKYDIDPLAQWFU-GFCCVEGCSA-N 0 3 365.480 3.360 20 5 FGBDHN CC(C)(CCC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[N+](=O)[O-] ZINC000295816267 499106889 /nfs/dbraw/zinc/10/68/89/499106889.db2.gz BZJKSLZTDLWPOQ-QGZVFWFLSA-N 0 3 361.486 3.239 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000370582174 499233315 /nfs/dbraw/zinc/23/33/15/499233315.db2.gz IISGOJJSIXITGQ-RDJZCZTQSA-N 0 3 368.437 3.115 20 5 FGBDHN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000368933083 499348158 /nfs/dbraw/zinc/34/81/58/499348158.db2.gz SZTNOWAQIQEURR-UHFFFAOYSA-N 0 3 374.828 3.384 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369539343 499414652 /nfs/dbraw/zinc/41/46/52/499414652.db2.gz IAJKELAVCVECIQ-LRDDRELGSA-N 0 3 360.439 3.471 20 5 FGBDHN CNC(=O)c1ccc(NC[C@H]2CCN(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000369562154 499418054 /nfs/dbraw/zinc/41/80/54/499418054.db2.gz XQMFBFNXKIYDSW-CXAGYDPISA-N 0 3 374.466 3.121 20 5 FGBDHN Cc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568155 499419418 /nfs/dbraw/zinc/41/94/18/499419418.db2.gz KCAPDVNQSZATNX-RHSMWYFYSA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1ccc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2n1 ZINC000369682531 499435842 /nfs/dbraw/zinc/43/58/42/499435842.db2.gz FKTVIBLNTKWZPC-UHFFFAOYSA-N 0 3 351.410 3.485 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000381029011 499544484 /nfs/dbraw/zinc/54/44/84/499544484.db2.gz WMDSQXIPQAFWQX-QZTJIDSGSA-N 0 3 369.469 3.078 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000376406535 499606432 /nfs/dbraw/zinc/60/64/32/499606432.db2.gz IDNGAJHCRCISDS-DZGCQCFKSA-N 0 3 363.483 3.406 20 5 FGBDHN COc1ccc(NC(=O)CCNC(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000411224695 499713702 /nfs/dbraw/zinc/71/37/02/499713702.db2.gz FRGYJYFHFWJJPX-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ccccc1S(C)(=O)=O ZINC000414227629 499769661 /nfs/dbraw/zinc/76/96/61/499769661.db2.gz CULJQWCPXBAMNB-AWEZNQCLSA-N 0 3 362.451 3.109 20 5 FGBDHN Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000414400127 499786903 /nfs/dbraw/zinc/78/69/03/499786903.db2.gz MGQHFTYUFHNAPR-UHFFFAOYSA-N 0 3 358.398 3.488 20 5 FGBDHN CC(C)(CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)S(C)(=O)=O ZINC000414514840 499801754 /nfs/dbraw/zinc/80/17/54/499801754.db2.gz JTLZPOGBFTWGSV-UHFFFAOYSA-N 0 3 366.439 3.158 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCc1nnc(-c2ccccc2)o1 ZINC000579375973 506160029 /nfs/dbraw/zinc/16/00/29/506160029.db2.gz DMMDMVOPQCRSQV-INIZCTEOSA-N 0 3 350.378 3.464 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411951836 499806007 /nfs/dbraw/zinc/80/60/07/499806007.db2.gz SIKVOAPRUIZZAY-LPHOPBHVSA-N 0 3 369.421 3.040 20 5 FGBDHN CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000412338141 499846359 /nfs/dbraw/zinc/84/63/59/499846359.db2.gz MQJGCZNHGPWHDB-OTWHNJEPSA-N 0 3 371.412 3.257 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2NCCc3ccccc32)c1 ZINC000414941332 499847013 /nfs/dbraw/zinc/84/70/13/499847013.db2.gz AFKQWIHGBDYAPT-INIZCTEOSA-N 0 3 363.364 3.173 20 5 FGBDHN COC(=O)c1cc(NC(=O)C[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000416167517 499966145 /nfs/dbraw/zinc/96/61/45/499966145.db2.gz SGKKVCJEHUKUNA-QGZVFWFLSA-N 0 3 371.393 3.013 20 5 FGBDHN Cc1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000424996430 499986736 /nfs/dbraw/zinc/98/67/36/499986736.db2.gz ARIKOOBHMOKZLR-AZUAARDMSA-N 0 3 365.433 3.250 20 5 FGBDHN COc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000416342481 500020975 /nfs/dbraw/zinc/02/09/75/500020975.db2.gz OUXHSCOBRNZBCO-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CC(C)Oc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000413673586 500021546 /nfs/dbraw/zinc/02/15/46/500021546.db2.gz SXIXOTJLCSNPIQ-AWEZNQCLSA-N 0 3 363.458 3.184 20 5 FGBDHN Cc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421380176 500032580 /nfs/dbraw/zinc/03/25/80/500032580.db2.gz LWDXQIHAOLVGBX-UHFFFAOYSA-N 0 3 351.410 3.297 20 5 FGBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000425490393 500121883 /nfs/dbraw/zinc/12/18/83/500121883.db2.gz KXFUOXPAMAMJMO-IACUBPJLSA-N 0 3 355.232 3.260 20 5 FGBDHN Cc1c(CC(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000425601581 500157946 /nfs/dbraw/zinc/15/79/46/500157946.db2.gz GOKACSVRBPAFDX-GOSISDBHSA-N 0 3 367.449 3.355 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000430237861 500213051 /nfs/dbraw/zinc/21/30/51/500213051.db2.gz JRNYHMOOSOLFPA-FQEVSTJZSA-N 0 3 356.422 3.173 20 5 FGBDHN O=C(NCc1ccc2c(c1)CNC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418555039 500291107 /nfs/dbraw/zinc/29/11/07/500291107.db2.gz OVECNMMIDRSSON-UHFFFAOYSA-N 0 3 366.421 3.072 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430883652 500301829 /nfs/dbraw/zinc/30/18/29/500301829.db2.gz RNVLXSQKUOFVCY-KRWDZBQOSA-N 0 3 353.422 3.388 20 5 FGBDHN C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H](N)c1ccccc1 ZINC000423730873 500397727 /nfs/dbraw/zinc/39/77/27/500397727.db2.gz XBRHMQSCNYKOLI-AUUYWEPGSA-N 0 3 353.422 3.422 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNCCNC(=O)CCCc1ccccc1 ZINC000424186956 500464547 /nfs/dbraw/zinc/46/45/47/500464547.db2.gz JIFHZRCUYPWLKT-UHFFFAOYSA-N 0 3 355.438 3.132 20 5 FGBDHN CCOc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447529625 500618090 /nfs/dbraw/zinc/61/80/90/500618090.db2.gz MHBIQWTYULCEOG-HOTGVXAUSA-N 0 3 374.441 3.472 20 5 FGBDHN CC(C)Oc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447538168 500620192 /nfs/dbraw/zinc/62/01/92/500620192.db2.gz ARDRWCVQPNWZRA-HOTGVXAUSA-N 0 3 359.430 3.247 20 5 FGBDHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3C)C2)n(C)n1 ZINC000447555882 500623912 /nfs/dbraw/zinc/62/39/12/500623912.db2.gz DDEORYMSKZFGFB-JKSUJKDBSA-N 0 3 357.458 3.265 20 5 FGBDHN CNC(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433169535 500638418 /nfs/dbraw/zinc/63/84/18/500638418.db2.gz XRJVORVROWUFDE-SFHVURJKSA-N 0 3 353.422 3.467 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1Cc1ccccc1 ZINC000437848024 500706299 /nfs/dbraw/zinc/70/62/99/500706299.db2.gz ZXHDKHGCPQBWDX-INIZCTEOSA-N 0 3 369.421 3.249 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000448259516 500741299 /nfs/dbraw/zinc/74/12/99/500741299.db2.gz DTCXZFORQRALIE-MRXNPFEDSA-N 0 3 362.474 3.250 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000438557817 500800787 /nfs/dbraw/zinc/80/07/87/500800787.db2.gz MWWWKECFIOHGQF-UHFFFAOYSA-N 0 3 352.394 3.433 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000444607389 500865326 /nfs/dbraw/zinc/86/53/26/500865326.db2.gz ISMNGKJQXVNRNR-OAHLLOKOSA-N 0 3 353.422 3.220 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCN(c2ccccn2)C1 ZINC000602576578 506222105 /nfs/dbraw/zinc/22/21/05/506222105.db2.gz ONZFZVZEUMCPRN-CQSZACIVSA-N 0 3 366.343 3.377 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@H]2CCCCN2CC(C)C)cc1[N+](=O)[O-] ZINC000439686937 500926063 /nfs/dbraw/zinc/92/60/63/500926063.db2.gz CYAIDMZKPRPQEH-MRXNPFEDSA-N 0 3 363.458 3.234 20 5 FGBDHN Cc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000449281237 500965086 /nfs/dbraw/zinc/96/50/86/500965086.db2.gz CMZVXLFKVXEYNK-CQSZACIVSA-N 0 3 362.451 3.028 20 5 FGBDHN CC(C)c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449357241 500985723 /nfs/dbraw/zinc/98/57/23/500985723.db2.gz KLWVWIQAQXZYDV-OAHLLOKOSA-N 0 3 374.462 3.379 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000449505857 501020729 /nfs/dbraw/zinc/02/07/29/501020729.db2.gz YBXLKIJVHAKMJJ-OAHLLOKOSA-N 0 3 350.369 3.436 20 5 FGBDHN COc1cc(CN[C@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000449532882 501027011 /nfs/dbraw/zinc/02/70/11/501027011.db2.gz DSXOVNJHSNHADX-RDJZCZTQSA-N 0 3 373.409 3.017 20 5 FGBDHN CNC(=O)C[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449602022 501041828 /nfs/dbraw/zinc/04/18/28/501041828.db2.gz OBJBMMTWRWJPFA-GFCCVEGCSA-N 0 3 361.373 3.140 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449648954 501049844 /nfs/dbraw/zinc/04/98/44/501049844.db2.gz VCISGWDQKFNYJC-OWCLPIDISA-N 0 3 367.449 3.482 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@@H](O)C3)o2)c(Br)c1 ZINC000449750459 501074504 /nfs/dbraw/zinc/07/45/04/501074504.db2.gz UOSWNHYLOHQYNO-JGZJWPJOSA-N 0 3 367.199 3.230 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441283455 501114113 /nfs/dbraw/zinc/11/41/13/501114113.db2.gz YRWCPWAEQTVDIY-FVQBIDKESA-N 0 3 372.425 3.454 20 5 FGBDHN COc1cccc2c1CC[C@H](NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000446835010 501170861 /nfs/dbraw/zinc/17/08/61/501170861.db2.gz JBUWQBCBHNIBMG-ZDUSSCGKSA-N 0 3 352.394 3.127 20 5 FGBDHN C[C@H](C[C@@H]1CCCC(=O)N1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602639425 506240072 /nfs/dbraw/zinc/24/00/72/506240072.db2.gz ISONNRJQHMWTFC-MFKMUULPSA-N 0 3 359.348 3.151 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccnc(C(F)(F)F)c2)n1 ZINC000453280240 501306680 /nfs/dbraw/zinc/30/66/80/501306680.db2.gz GLDXVYPWQYPCPZ-OLZOCXBDSA-N 0 3 369.347 3.479 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)nc2c1 ZINC000451631324 501340486 /nfs/dbraw/zinc/34/04/86/501340486.db2.gz VNNKTSDHLTWURK-PBHICJAKSA-N 0 3 356.426 3.252 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700076 501354548 /nfs/dbraw/zinc/35/45/48/501354548.db2.gz XDCDLEWTCHZHRR-JJAZEVLHSA-N 0 3 372.425 3.189 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451720232 501359328 /nfs/dbraw/zinc/35/93/28/501359328.db2.gz LITWGJRLTVCLPS-LBPRGKRZSA-N 0 3 359.348 3.218 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458203795 501392241 /nfs/dbraw/zinc/39/22/41/501392241.db2.gz WQTIHPPYDZWXPQ-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN CNc1c(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)cccc1[N+](=O)[O-] ZINC000458218598 501396268 /nfs/dbraw/zinc/39/62/68/501396268.db2.gz REPAZUVJOSJFDA-UHFFFAOYSA-N 0 3 372.425 3.138 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3cc(F)cc(F)c3)CC2)n1 ZINC000451920315 501401453 /nfs/dbraw/zinc/40/14/53/501401453.db2.gz GNLPGJWRTZBHSN-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN CC[C@@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526810 501466169 /nfs/dbraw/zinc/46/61/69/501466169.db2.gz YFRZBSLBQBSGCG-RDTXWAMCSA-N 0 3 360.458 3.172 20 5 FGBDHN NC(=O)c1cc(NC[C@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000596101011 506259046 /nfs/dbraw/zinc/25/90/46/506259046.db2.gz HFOFHXPQJYWJMD-CYBMUJFWSA-N 0 3 374.466 3.079 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459521154 501668675 /nfs/dbraw/zinc/66/86/75/501668675.db2.gz DDPBZRRXNOPCHG-SFHVURJKSA-N 0 3 363.458 3.009 20 5 FGBDHN Cc1ccc(CCNCc2cc(Br)c([N+](=O)[O-])s2)nc1 ZINC000602687290 506262827 /nfs/dbraw/zinc/26/28/27/506262827.db2.gz KAAUQNQXRHZGIV-UHFFFAOYSA-N 0 3 356.245 3.455 20 5 FGBDHN CN(C)CCN(Cc1cccs1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710898 506267218 /nfs/dbraw/zinc/26/72/18/506267218.db2.gz HCUNUSHLMUGWDX-UHFFFAOYSA-N 0 3 357.439 3.168 20 5 FGBDHN Cc1cc(CN)cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000457386518 501691694 /nfs/dbraw/zinc/69/16/94/501691694.db2.gz WHJXNCZBPMYPKZ-UHFFFAOYSA-N 0 3 354.410 3.214 20 5 FGBDHN CCOc1cc(C(=O)Nc2cc(C)cc(CN)c2)c([N+](=O)[O-])cc1OC ZINC000457389121 501692030 /nfs/dbraw/zinc/69/20/30/501692030.db2.gz ZQOXVULNCCIYNY-UHFFFAOYSA-N 0 3 359.382 3.022 20 5 FGBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459765902 501711133 /nfs/dbraw/zinc/71/11/33/501711133.db2.gz PHYHUGKGPCNHIV-COLVAYQJSA-N 0 3 367.833 3.122 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000459787825 501714177 /nfs/dbraw/zinc/71/41/77/501714177.db2.gz QBCVZNZHDVXWBU-CABCVRRESA-N 0 3 372.368 3.252 20 5 FGBDHN CC(C)c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000598997500 506269969 /nfs/dbraw/zinc/26/99/69/506269969.db2.gz DSDNDZMRLXXUIK-APWZRJJASA-N 0 3 357.410 3.439 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000477621166 501740765 /nfs/dbraw/zinc/74/07/65/501740765.db2.gz HKARJQPZDPFBRW-QAPCUYQASA-N 0 3 368.437 3.057 20 5 FGBDHN CC(C)CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)C ZINC000474228805 501752838 /nfs/dbraw/zinc/75/28/38/501752838.db2.gz UQLMXQMBLWFPNZ-UHFFFAOYSA-N 0 3 365.430 3.266 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000474342914 501797172 /nfs/dbraw/zinc/79/71/72/501797172.db2.gz AVCHGUBCWAXUPM-HZPDHXFCSA-N 0 3 362.426 3.205 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000474342916 501797286 /nfs/dbraw/zinc/79/72/86/501797286.db2.gz AVCHGUBCWAXUPM-JKSUJKDBSA-N 0 3 362.426 3.205 20 5 FGBDHN CCO[C@H]1C[C@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843364 501805667 /nfs/dbraw/zinc/80/56/67/501805667.db2.gz CATXSTAHEPTOMR-ROUUACIJSA-N 0 3 364.442 3.262 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474380730 501813776 /nfs/dbraw/zinc/81/37/76/501813776.db2.gz UGDKLXCILBMPID-RBZFPXEDSA-N 0 3 370.405 3.170 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000474461746 501843557 /nfs/dbraw/zinc/84/35/57/501843557.db2.gz WYQYQSUOHVMVJV-QGZVFWFLSA-N 0 3 372.425 3.336 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694934 501847272 /nfs/dbraw/zinc/84/72/72/501847272.db2.gz CNDTVAOXZNLPND-QAPCUYQASA-N 0 3 353.422 3.296 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000596150886 506281637 /nfs/dbraw/zinc/28/16/37/506281637.db2.gz DFVKZEGKUMTFEJ-FQEVSTJZSA-N 0 3 368.437 3.188 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000596150886 506281643 /nfs/dbraw/zinc/28/16/43/506281643.db2.gz DFVKZEGKUMTFEJ-FQEVSTJZSA-N 0 3 368.437 3.188 20 5 FGBDHN COc1cc(OC)cc(OCCCNCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000478256541 501923625 /nfs/dbraw/zinc/92/36/25/501923625.db2.gz MOCZQEWLQIXBPV-UHFFFAOYSA-N 0 3 364.373 3.310 20 5 FGBDHN C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000478557509 502017337 /nfs/dbraw/zinc/01/73/37/502017337.db2.gz AVJXTNGEWRUANF-ZIAGYGMSSA-N 0 3 351.472 3.066 20 5 FGBDHN COc1cc(CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000464681505 502062665 /nfs/dbraw/zinc/06/26/65/502062665.db2.gz FCECDTCUFXHEDR-XIKOKIGWSA-N 0 3 354.422 3.409 20 5 FGBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1cccc(OC)c1 ZINC000471629632 502093532 /nfs/dbraw/zinc/09/35/32/502093532.db2.gz UZQVPZMDPLTQKC-GOSISDBHSA-N 0 3 358.442 3.224 20 5 FGBDHN C[C@@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596173642 506293347 /nfs/dbraw/zinc/29/33/47/506293347.db2.gz ZOVHUZJPJSZFPM-GDBMZVCRSA-N 0 3 356.426 3.408 20 5 FGBDHN C[C@@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173642 506293352 /nfs/dbraw/zinc/29/33/52/506293352.db2.gz ZOVHUZJPJSZFPM-GDBMZVCRSA-N 0 3 356.426 3.408 20 5 FGBDHN CSc1cccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000486434494 502152803 /nfs/dbraw/zinc/15/28/03/502152803.db2.gz MOGXUKSFPQPRPF-GFCCVEGCSA-N 0 3 351.472 3.119 20 5 FGBDHN CC[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000461755787 502192337 /nfs/dbraw/zinc/19/23/37/502192337.db2.gz BZENSKHKGVIPQD-DOTOQJQBSA-N 0 3 351.472 3.289 20 5 FGBDHN Cc1cc(NCCCN2CCN(c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461771938 502197367 /nfs/dbraw/zinc/19/73/67/502197367.db2.gz FDDZFCIDNRNUCP-UHFFFAOYSA-N 0 3 373.432 3.062 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000596186507 506299942 /nfs/dbraw/zinc/29/99/42/506299942.db2.gz LJHQBQQQJCDCFJ-JTQLQIEISA-N 0 3 353.806 3.097 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCC4CC4)cc3)C2)nc1 ZINC000483260442 502331809 /nfs/dbraw/zinc/33/18/09/502331809.db2.gz BRMIONHAVVLRLG-QGZVFWFLSA-N 0 3 368.437 3.465 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462170603 502333939 /nfs/dbraw/zinc/33/39/39/502333939.db2.gz PKJKJJZULRUMJU-YJBOKZPZSA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236645 502363380 /nfs/dbraw/zinc/36/33/80/502363380.db2.gz IDXKJQRNHNRSBT-KSSFIOAISA-N 0 3 354.410 3.237 20 5 FGBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2Br)CCSC1 ZINC000487144078 502372245 /nfs/dbraw/zinc/37/22/45/502372245.db2.gz ZLQKOTLWPURXKC-CYBMUJFWSA-N 0 3 360.277 3.207 20 5 FGBDHN CC[C@@H]1CN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000487151880 502374995 /nfs/dbraw/zinc/37/49/95/502374995.db2.gz DJPLRGRGNJYCHX-QGZVFWFLSA-N 0 3 359.426 3.055 20 5 FGBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000588687587 506309445 /nfs/dbraw/zinc/30/94/45/506309445.db2.gz MUIIMYTWHXHXON-FQEVSTJZSA-N 0 3 373.456 3.043 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)N1CCc2ccccc2C1 ZINC000479913584 502417910 /nfs/dbraw/zinc/41/79/10/502417910.db2.gz MISXOWIANIEGDO-UHFFFAOYSA-N 0 3 357.458 3.368 20 5 FGBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462441788 502440067 /nfs/dbraw/zinc/44/00/67/502440067.db2.gz ZLVGGEOPTWPWNP-UHFFFAOYSA-N 0 3 370.453 3.347 20 5 FGBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000469508994 502446142 /nfs/dbraw/zinc/44/61/42/502446142.db2.gz SDQPJAKVJDKABM-IBGZPJMESA-N 0 3 369.465 3.410 20 5 FGBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000473529541 502624515 /nfs/dbraw/zinc/62/45/15/502624515.db2.gz XTAJSYVVSDBBLP-KRWDZBQOSA-N 0 3 370.453 3.224 20 5 FGBDHN CNc1c(C(=O)N2CCCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000462937415 502633899 /nfs/dbraw/zinc/63/38/99/502633899.db2.gz BXPZMHRKAIAGSH-UHFFFAOYSA-N 0 3 374.485 3.365 20 5 FGBDHN CC(C)(C)CCN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470116863 502666594 /nfs/dbraw/zinc/66/65/94/502666594.db2.gz HZJCXPZNFBXASE-UHFFFAOYSA-N 0 3 352.410 3.320 20 5 FGBDHN Cc1ccc([C@@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632315 502689984 /nfs/dbraw/zinc/68/99/84/502689984.db2.gz YHEAKSFSMBMYBR-ICSRJNTNSA-N 0 3 356.422 3.480 20 5 FGBDHN C[C@@H]1C[C@@H]1N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714707 502787950 /nfs/dbraw/zinc/78/79/50/502787950.db2.gz FYZWOVKBYONPEF-TUAOUCFPSA-N 0 3 358.364 3.175 20 5 FGBDHN C[C@H]1C[C@@H]1N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714706 502788324 /nfs/dbraw/zinc/78/83/24/502788324.db2.gz FYZWOVKBYONPEF-SRVKXCTJSA-N 0 3 358.364 3.175 20 5 FGBDHN O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593018365 506339934 /nfs/dbraw/zinc/33/99/34/506339934.db2.gz LFLKHFKBQRGYAQ-STQMWFEESA-N 0 3 358.316 3.232 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000505527753 502927380 /nfs/dbraw/zinc/92/73/80/502927380.db2.gz MHYXXRWJTUBNQS-GOSISDBHSA-N 0 3 363.483 3.265 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489356057 502936882 /nfs/dbraw/zinc/93/68/82/502936882.db2.gz UTPWRZIBKZFVMK-BMFZPTHFSA-N 0 3 362.474 3.384 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000505605452 502947974 /nfs/dbraw/zinc/94/79/74/502947974.db2.gz QPQGFGCLDOYCOD-FZKQIMNGSA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1cncc(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000593035709 506351172 /nfs/dbraw/zinc/35/11/72/506351172.db2.gz RUUBGGSCZGBGIX-WGSAOQKQSA-N 0 3 370.453 3.041 20 5 FGBDHN Cc1ccc(OC[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000511061289 503245073 /nfs/dbraw/zinc/24/50/73/503245073.db2.gz XVLQQDJXAOSWFQ-SFHVURJKSA-N 0 3 358.438 3.126 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000599184099 506363532 /nfs/dbraw/zinc/36/35/32/506363532.db2.gz YMSMUPHNSOWZES-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN CCOc1cc(N2CCC(CC)(N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599184329 506363826 /nfs/dbraw/zinc/36/38/26/506363826.db2.gz ZZSZKDRMWAFFDD-UHFFFAOYSA-N 0 3 363.458 3.075 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000499095951 503333383 /nfs/dbraw/zinc/33/33/83/503333383.db2.gz ZEWYTSPLBXTDHU-SFHVURJKSA-N 0 3 372.425 3.336 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000503165419 503359293 /nfs/dbraw/zinc/35/92/93/503359293.db2.gz AJKCOZLCCCKUGH-CQSZACIVSA-N 0 3 355.394 3.061 20 5 FGBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503446311 503411681 /nfs/dbraw/zinc/41/16/81/503411681.db2.gz KKPQOKMLNCSRDB-ZIAGYGMSSA-N 0 3 357.863 3.451 20 5 FGBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000503449175 503412096 /nfs/dbraw/zinc/41/20/96/503412096.db2.gz BWKZMBCIUDBABY-SGIREYDYSA-N 0 3 367.471 3.194 20 5 FGBDHN COc1cc(CNC[C@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493737129 503443239 /nfs/dbraw/zinc/44/32/39/503443239.db2.gz QVHGZGIYDGMCGX-LLVKDONJSA-N 0 3 362.398 3.233 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000499668473 503453798 /nfs/dbraw/zinc/45/37/98/503453798.db2.gz KBUSGXXWIVMJLE-MRXNPFEDSA-N 0 3 360.458 3.163 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494047586 503479443 /nfs/dbraw/zinc/47/94/43/503479443.db2.gz JAOXRJZCYBMTOS-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN COc1cc(CNCCc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1OC ZINC000500479322 503632884 /nfs/dbraw/zinc/63/28/84/503632884.db2.gz ASBNXNPKSMDJSQ-UHFFFAOYSA-N 0 3 355.394 3.426 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000536874616 503746745 /nfs/dbraw/zinc/74/67/45/503746745.db2.gz DCERWUHUYIWHGZ-ZDUSSCGKSA-N 0 3 363.439 3.126 20 5 FGBDHN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000517599974 503781532 /nfs/dbraw/zinc/78/15/32/503781532.db2.gz SRQFAWHZDADJMA-GJYPPUQNSA-N 0 3 371.485 3.128 20 5 FGBDHN COc1ccc(OCCN[C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000537067828 503792296 /nfs/dbraw/zinc/79/22/96/503792296.db2.gz GPLFZBOSBGVMOM-GFCCVEGCSA-N 0 3 360.366 3.062 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543540710 503806852 /nfs/dbraw/zinc/80/68/52/503806852.db2.gz FZWNBWYVNYNKLX-MNVSYLFESA-N 0 3 369.421 3.385 20 5 FGBDHN Cc1cccc2c1ncc(C)c2N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000546611028 503806865 /nfs/dbraw/zinc/80/68/65/503806865.db2.gz NBBVNQVQOOKRDP-UHFFFAOYSA-N 0 3 363.421 3.481 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN[C@H](COCc2ccccc2)c2ccccc2)n1 ZINC000537158817 503821748 /nfs/dbraw/zinc/82/17/48/503821748.db2.gz QXXQHXIVFBLUIZ-LJQANCHMSA-N 0 3 366.421 3.339 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000517886761 503858645 /nfs/dbraw/zinc/85/86/45/503858645.db2.gz DVKVHALBBMQTBT-DLBZAZTESA-N 0 3 369.421 3.407 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3C3CCOCC3)n2)c1 ZINC000540824857 503905504 /nfs/dbraw/zinc/90/55/04/503905504.db2.gz JBKSBBBZQUNEBJ-INIZCTEOSA-N 0 3 358.398 3.036 20 5 FGBDHN O=C(CN[C@@H](c1cccs1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000544400256 504119754 /nfs/dbraw/zinc/11/97/54/504119754.db2.gz IIYMCZSYOCRADD-GOSISDBHSA-N 0 3 357.435 3.286 20 5 FGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCc2cccnc2)cc1 ZINC000538124390 504137354 /nfs/dbraw/zinc/13/73/54/504137354.db2.gz FKNLCYDAKBCHTG-HNNXBMFYSA-N 0 3 367.409 3.116 20 5 FGBDHN C[C@@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000544464786 504143753 /nfs/dbraw/zinc/14/37/53/504143753.db2.gz WTRZALSFUUUBQP-PBHICJAKSA-N 0 3 373.428 3.127 20 5 FGBDHN Cc1c(NC(=O)CCN[C@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000541589528 504190148 /nfs/dbraw/zinc/19/01/48/504190148.db2.gz BATHQNGEUBWYOH-IBGZPJMESA-N 0 3 354.410 3.368 20 5 FGBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCN1CC(C)(C)O ZINC000547709031 504195490 /nfs/dbraw/zinc/19/54/90/504195490.db2.gz IZYDJGNRNRTSFA-CQSZACIVSA-N 0 3 365.474 3.054 20 5 FGBDHN CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000544723969 504235647 /nfs/dbraw/zinc/23/56/47/504235647.db2.gz NYQQPLVGIMSIJT-UHFFFAOYSA-N 0 3 354.366 3.252 20 5 FGBDHN C[C@@H]1CC(C)(C)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541739671 504238731 /nfs/dbraw/zinc/23/87/31/504238731.db2.gz AFVSPMMYQQQCLK-CZUORRHYSA-N 0 3 354.472 3.173 20 5 FGBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2ccccc2c1 ZINC000534869867 504266490 /nfs/dbraw/zinc/26/64/90/504266490.db2.gz UYTOWZHBBJXONY-UHFFFAOYSA-N 0 3 351.406 3.432 20 5 FGBDHN CN(C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)Cc1ccccc1 ZINC000535256856 504384025 /nfs/dbraw/zinc/38/40/25/504384025.db2.gz GIHOFYLDINXFHE-GOSISDBHSA-N 0 3 350.422 3.150 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1Cc1ccccc1 ZINC000542277129 504435443 /nfs/dbraw/zinc/43/54/43/504435443.db2.gz KCWYFYHLDWTCCC-RBUKOAKNSA-N 0 3 370.449 3.432 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000542623206 504557479 /nfs/dbraw/zinc/55/74/79/504557479.db2.gz QOCCFWWPDAPHQO-JZKQVHKSSA-N 0 3 369.421 3.385 20 5 FGBDHN C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532187564 504565888 /nfs/dbraw/zinc/56/58/88/504565888.db2.gz OXDVDKFYKCOHOH-YJBOKZPZSA-N 0 3 374.510 3.296 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1 ZINC000545834594 504608761 /nfs/dbraw/zinc/60/87/61/504608761.db2.gz SFSYUHZWCKOSHY-RTIZMKJZSA-N 0 3 371.372 3.143 20 5 FGBDHN CN1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccccc1 ZINC000536263000 504682644 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FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(CN2CCOCC2)cc1 ZINC000565493284 504903462 /nfs/dbraw/zinc/90/34/62/504903462.db2.gz WULJKVHYYYFCCD-HXUWFJFHSA-N 0 3 367.449 3.204 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cccc(N2CCOCC2)c1 ZINC000549830883 504909708 /nfs/dbraw/zinc/90/97/08/504909708.db2.gz NUXMRMGFNNIZPJ-QPJJXVBHSA-N 0 3 353.422 3.234 20 5 FGBDHN COc1cc(CNCC[C@@H](C)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000562770167 504939828 /nfs/dbraw/zinc/93/98/28/504939828.db2.gz ATNCWBXDNXSMPC-SECBINFHSA-N 0 3 354.300 3.382 20 5 FGBDHN C/C=C\c1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000566107888 505083371 /nfs/dbraw/zinc/08/33/71/505083371.db2.gz BRFMBLWSIZIHJE-LKIHTYOGSA-N 0 3 372.421 3.166 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000563245310 505086661 /nfs/dbraw/zinc/08/66/61/505086661.db2.gz OTRDQIXOOAOBRI-YWPYICTPSA-N 0 3 365.861 3.359 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])N(CC)CC)cc1 ZINC000554219921 505119529 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361.829 3.499 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000551720908 505291733 /nfs/dbraw/zinc/29/17/33/505291733.db2.gz YQXWLJMXNMNODA-YOEHRIQHSA-N 0 3 372.421 3.113 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000555077708 505343390 /nfs/dbraw/zinc/34/33/90/505343390.db2.gz DYRBERSWLDBHBC-LJQANCHMSA-N 0 3 371.437 3.335 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000567061733 505352970 /nfs/dbraw/zinc/35/29/70/505352970.db2.gz DDZRZEXAIVQTGC-DEQJRXDXSA-N 0 3 357.454 3.235 20 5 FGBDHN Cn1cc(CN[C@@H]2CCc3cc(N)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567249506 505407711 /nfs/dbraw/zinc/40/77/11/505407711.db2.gz IJVDSXJVKJBWQH-LJQANCHMSA-N 0 3 363.421 3.355 20 5 FGBDHN O=C(CCN1CC[C@H](Oc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000564565498 505455505 /nfs/dbraw/zinc/45/55/05/505455505.db2.gz VJVRABNYKVPYKD-SFHVURJKSA-N 0 3 355.394 3.077 20 5 FGBDHN COc1ccc(CN2CC[C@](C)(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552326456 505461319 /nfs/dbraw/zinc/46/13/19/505461319.db2.gz RXUFQBMHYJNEHM-FQEVSTJZSA-N 0 3 372.421 3.139 20 5 FGBDHN O=[N+]([O-])c1ccccc1C=CCN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522831 505507899 /nfs/dbraw/zinc/50/78/99/505507899.db2.gz HYTAUMPDVXCXHL-WUTVXBCWSA-N 0 3 353.426 3.483 20 5 FGBDHN O=[N+]([O-])c1ccccc1C=CCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000552522831 505507902 /nfs/dbraw/zinc/50/79/02/505507902.db2.gz HYTAUMPDVXCXHL-WUTVXBCWSA-N 0 3 353.426 3.483 20 5 FGBDHN COc1cc(CN[C@@H]2CO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564961792 505563642 /nfs/dbraw/zinc/56/36/42/505563642.db2.gz ZHYSLNJMFKGRFN-PBHICJAKSA-N 0 3 372.421 3.449 20 5 FGBDHN CN(CCN1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593147178 506423499 /nfs/dbraw/zinc/42/34/99/506423499.db2.gz ICLQNARWHJMCJX-UHFFFAOYSA-N 0 3 372.372 3.146 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000589324987 506518777 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CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000845731064 730888678 /nfs/dbraw/zinc/88/86/78/730888678.db2.gz LRWUOSKLWJJYFK-LLVKDONJSA-N 0 3 358.341 3.226 20 5 FGBDHN COCc1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845873110 730904765 /nfs/dbraw/zinc/90/47/65/730904765.db2.gz BNQAGPLNFCFRBC-IINYFYTJSA-N 0 3 368.386 3.300 20 5 FGBDHN CC(=O)c1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881011 730905829 /nfs/dbraw/zinc/90/58/29/730905829.db2.gz JVHPRGZZCKEOKE-SDBXPKJASA-N 0 3 352.343 3.048 20 5 FGBDHN CCc1[nH]nc(Cl)c1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855160 732584443 /nfs/dbraw/zinc/58/44/43/732584443.db2.gz SQVKYYBCEWCGNA-OQPBUACISA-N 0 3 355.753 3.328 20 5 FGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454650 733854281 /nfs/dbraw/zinc/85/42/81/733854281.db2.gz MJFUEBCPHIRGGY-MVQRFQBOSA-N 0 3 351.374 3.138 20 5 FGBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000872249233 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20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000579820159 505626834 /nfs/dbraw/zinc/62/68/34/505626834.db2.gz VOPGDXBKTHYCRB-KRWDZBQOSA-N 0 3 360.389 3.467 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000573871611 505639932 /nfs/dbraw/zinc/63/99/32/505639932.db2.gz FBWQLWJOGDQTMG-ZIAGYGMSSA-N 0 3 360.357 3.108 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081126671 493837941 /nfs/dbraw/zinc/83/79/41/493837941.db2.gz LFYDTYYBBYYPCP-SFHVURJKSA-N 0 3 353.422 3.250 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000058421878 493851548 /nfs/dbraw/zinc/85/15/48/493851548.db2.gz LPGASWXWKZWWDW-UHFFFAOYSA-N 0 3 351.472 3.311 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000068777405 493871603 /nfs/dbraw/zinc/87/16/03/493871603.db2.gz DHRMYUPKGBCICO-UHFFFAOYSA-N 0 3 374.466 3.275 20 5 FGBDHN CC[C@@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061003124 493961345 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Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000577306357 505702965 /nfs/dbraw/zinc/70/29/65/505702965.db2.gz ZZTJCQKLCBPDCI-ZDUSSCGKSA-N 0 3 373.375 3.184 20 5 FGBDHN Cc1ccccc1CN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042104248 494201394 /nfs/dbraw/zinc/20/13/94/494201394.db2.gz XCMPQKAKEJNKQR-UHFFFAOYSA-N 0 3 371.466 3.325 20 5 FGBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000072729813 494242790 /nfs/dbraw/zinc/24/27/90/494242790.db2.gz KJBROHWZCMHPRG-UHFFFAOYSA-N 0 3 371.437 3.198 20 5 FGBDHN COc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000078265501 494266293 /nfs/dbraw/zinc/26/62/93/494266293.db2.gz CRYBMVXYWGTIJY-PBHICJAKSA-N 0 3 356.426 3.321 20 5 FGBDHN Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000043148417 494270202 /nfs/dbraw/zinc/27/02/02/494270202.db2.gz WBFIFYSEWFJJQZ-QGZVFWFLSA-N 0 3 354.410 3.299 20 5 FGBDHN Cc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000043148473 494271426 /nfs/dbraw/zinc/27/14/26/494271426.db2.gz ZMTHSIDPQXYKHE-KRWDZBQOSA-N 0 3 356.426 3.198 20 5 FGBDHN CN(C)c1cccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000089922006 494402399 /nfs/dbraw/zinc/40/23/99/494402399.db2.gz BFLWNESYBQSHFM-UHFFFAOYSA-N 0 3 356.426 3.121 20 5 FGBDHN CCc1oc2ccccc2c1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511200 494475824 /nfs/dbraw/zinc/47/58/24/494475824.db2.gz DDAYCKDPIRQWNK-UHFFFAOYSA-N 0 3 355.394 3.197 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079561683 494483088 /nfs/dbraw/zinc/48/30/88/494483088.db2.gz LCYKQGADPCPTCL-LLVKDONJSA-N 0 3 359.348 3.075 20 5 FGBDHN COc1ccc(C[C@@H](C)CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000090618629 494488052 /nfs/dbraw/zinc/48/80/52/494488052.db2.gz OPJTXPKHVKMJQT-CQSZACIVSA-N 0 3 371.437 3.013 20 5 FGBDHN CN1CCN(C)c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C1 ZINC000091043420 494517002 /nfs/dbraw/zinc/51/70/02/494517002.db2.gz ORBIRIXOLWSIBM-UHFFFAOYSA-N 0 3 355.398 3.120 20 5 FGBDHN O=C(C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000108086167 494645721 /nfs/dbraw/zinc/64/57/21/494645721.db2.gz JEISZVHEPYQTNG-UHFFFAOYSA-N 0 3 359.470 3.252 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000571434129 505733191 /nfs/dbraw/zinc/73/31/91/505733191.db2.gz VLEZYFNDWMVWOY-RYQLBKOJSA-N 0 3 362.813 3.134 20 5 FGBDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000067965843 494712305 /nfs/dbraw/zinc/71/23/05/494712305.db2.gz BTWNBCYJDZRREQ-MRXNPFEDSA-N 0 3 358.398 3.365 20 5 FGBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN(C)C)c2)cc1OC ZINC000047453684 494713062 /nfs/dbraw/zinc/71/30/62/494713062.db2.gz VKOGOLFMBIBTHY-UHFFFAOYSA-N 0 3 373.409 3.316 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000025420818 494739299 /nfs/dbraw/zinc/73/92/99/494739299.db2.gz XKDWJUIXNLZPQM-KBXCAEBGSA-N 0 3 373.478 3.495 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOc1ccccc1 ZINC000026222747 494810840 /nfs/dbraw/zinc/81/08/40/494810840.db2.gz LSNRNEGNGWGMLP-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000116918365 494870671 /nfs/dbraw/zinc/87/06/71/494870671.db2.gz WGHOQGTXXHTRDZ-VWLOTQADSA-N 0 3 361.467 3.221 20 5 FGBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093898612 494931583 /nfs/dbraw/zinc/93/15/83/494931583.db2.gz RGHHZTDWPTXGEK-LLVKDONJSA-N 0 3 365.817 3.322 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117765155 494953989 /nfs/dbraw/zinc/95/39/89/494953989.db2.gz ILXXQJXNPFMNRI-CHWSQXEVSA-N 0 3 353.850 3.027 20 5 FGBDHN Cc1c(CC(=O)N(Cc2ccco2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122770249 495028367 /nfs/dbraw/zinc/02/83/67/495028367.db2.gz FHWGGWQTWNQNGP-UHFFFAOYSA-N 0 3 371.437 3.162 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000133709085 495050405 /nfs/dbraw/zinc/05/04/05/495050405.db2.gz VAHYBIGRVNBCPM-OCCSQVGLSA-N 0 3 366.364 3.272 20 5 FGBDHN CC[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000133743266 495055301 /nfs/dbraw/zinc/05/53/01/495055301.db2.gz VZNCRFMUEXQNSS-KBXCAEBGSA-N 0 3 366.364 3.354 20 5 FGBDHN CN(C)CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000102638570 495148512 /nfs/dbraw/zinc/14/85/12/495148512.db2.gz UUHYJFZISOORND-UHFFFAOYSA-N 0 3 352.394 3.285 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000130089368 495339655 /nfs/dbraw/zinc/33/96/55/495339655.db2.gz PZZWNPXNISHJFL-GUYCJALGSA-N 0 3 374.466 3.173 20 5 FGBDHN Cc1noc(CCNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000105469638 495365772 /nfs/dbraw/zinc/36/57/72/495365772.db2.gz AJOVDYZBRAQLFQ-UHFFFAOYSA-N 0 3 367.409 3.386 20 5 FGBDHN Cc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114642903 495402606 /nfs/dbraw/zinc/40/26/06/495402606.db2.gz PEUNXVXOVMMWRL-KRWDZBQOSA-N 0 3 353.422 3.298 20 5 FGBDHN COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000130962551 495472303 /nfs/dbraw/zinc/47/23/03/495472303.db2.gz MBYFCQCIEPZMSB-ORAYPTAESA-N 0 3 360.410 3.305 20 5 FGBDHN CNC(=O)CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179407364 495579560 /nfs/dbraw/zinc/57/95/60/495579560.db2.gz RWJQIQMHFMNNIB-UHFFFAOYSA-N 0 3 351.790 3.076 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000148319730 495584221 /nfs/dbraw/zinc/58/42/21/495584221.db2.gz VHYDYFPOIXJAGP-MAUKXSAKSA-N 0 3 353.422 3.469 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179738534 495711934 /nfs/dbraw/zinc/71/19/34/495711934.db2.gz KWDCAWJGUUYYPD-HXUWFJFHSA-N 0 3 370.405 3.486 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176711545 495758552 /nfs/dbraw/zinc/75/85/52/495758552.db2.gz GAWHMWSGTFPPMM-HNNXBMFYSA-N 0 3 360.458 3.234 20 5 FGBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccccc1 ZINC000183334019 495934752 /nfs/dbraw/zinc/93/47/52/495934752.db2.gz NREVBUKQFNCMCK-CHWSQXEVSA-N 0 3 371.393 3.044 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1CN1CCCC1 ZINC000574629711 505819011 /nfs/dbraw/zinc/81/90/11/505819011.db2.gz VJYQNADGLATTPF-HNNXBMFYSA-N 0 3 362.430 3.086 20 5 FGBDHN CC[C@@](C)(CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000152177148 496071566 /nfs/dbraw/zinc/07/15/66/496071566.db2.gz TUBSLXRURPNHDY-FQEVSTJZSA-N 0 3 374.437 3.433 20 5 FGBDHN C[C@H](Cn1cc(Br)cn1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155799664 496072668 /nfs/dbraw/zinc/07/26/68/496072668.db2.gz RKAKSRIHQWGFGH-MNOVXSKESA-N 0 3 353.220 3.293 20 5 FGBDHN COc1cc(CN[C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000183695541 496084505 /nfs/dbraw/zinc/08/45/05/496084505.db2.gz WQEFRLWVLNAAFF-AWEZNQCLSA-N 0 3 362.373 3.092 20 5 FGBDHN COc1cc(CN[C@H](CCO)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000183695516 496084770 /nfs/dbraw/zinc/08/47/70/496084770.db2.gz WQEFRLWVLNAAFF-CQSZACIVSA-N 0 3 362.373 3.092 20 5 FGBDHN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000180648105 496085720 /nfs/dbraw/zinc/08/57/20/496085720.db2.gz VWMODCIOTMMOLQ-UHFFFAOYSA-N 0 3 354.410 3.415 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@]2(CCO)CCOC2)c2ccccc2)c1 ZINC000180776272 496142512 /nfs/dbraw/zinc/14/25/12/496142512.db2.gz PXBBVJALCSUAMF-PMACEKPBSA-N 0 3 356.422 3.063 20 5 FGBDHN CC[C@@H](NCc1cccc(OCC(=O)OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000180911677 496195521 /nfs/dbraw/zinc/19/55/21/496195521.db2.gz KMNZRAKQQWZMAQ-GOSISDBHSA-N 0 3 358.394 3.388 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000152697618 496229832 /nfs/dbraw/zinc/22/98/32/496229832.db2.gz VMGYCNAEOGTQMY-ZDUSSCGKSA-N 0 3 361.471 3.006 20 5 FGBDHN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187244917 496357749 /nfs/dbraw/zinc/35/77/49/496357749.db2.gz CABQNTKRKCODFH-YWZLYKJASA-N 0 3 355.438 3.335 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000181545514 496439811 /nfs/dbraw/zinc/43/98/11/496439811.db2.gz PFDGWNLFJOJIFI-OLZOCXBDSA-N 0 3 363.483 3.450 20 5 FGBDHN CCC1(CC)[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1OC ZINC000178457556 496463216 /nfs/dbraw/zinc/46/32/16/496463216.db2.gz DUXQPGZGJXDTLL-HOTGVXAUSA-N 0 3 350.415 3.145 20 5 FGBDHN CC(C)(C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000181614907 496469898 /nfs/dbraw/zinc/46/98/98/496469898.db2.gz OFRKWUSGRGBNHA-KRWDZBQOSA-N 0 3 365.380 3.412 20 5 FGBDHN COc1c(C)cc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181677342 496499422 /nfs/dbraw/zinc/49/94/22/496499422.db2.gz SKCIFQXNDSSYFG-QGZVFWFLSA-N 0 3 374.437 3.092 20 5 FGBDHN C[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccc1 ZINC000163468065 496519628 /nfs/dbraw/zinc/51/96/28/496519628.db2.gz FGODNBYRJOOWKU-NRFANRHFSA-N 0 3 367.449 3.308 20 5 FGBDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178639964 496527140 /nfs/dbraw/zinc/52/71/40/496527140.db2.gz HMPNRHJLMHIFRC-MRXNPFEDSA-N 0 3 355.438 3.278 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(OCCN(C)C)c1 ZINC000178729070 496554116 /nfs/dbraw/zinc/55/41/16/496554116.db2.gz RPIYWHGFMPWNSS-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN COc1cccc(COC[C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821885 496558731 /nfs/dbraw/zinc/55/87/31/496558731.db2.gz AQXBTHXMBIHGRZ-MAUKXSAKSA-N 0 3 374.437 3.140 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000181835971 496565983 /nfs/dbraw/zinc/56/59/83/496565983.db2.gz NGVIOYUUGMGSGD-RHSMWYFYSA-N 0 3 362.401 3.271 20 5 FGBDHN C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173304211 496634523 /nfs/dbraw/zinc/63/45/23/496634523.db2.gz MLXVVKRPUDEFJM-UZLBHIALSA-N 0 3 355.438 3.319 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CCOC2)cc1 ZINC000178996807 496639415 /nfs/dbraw/zinc/63/94/15/496639415.db2.gz GBKVVBBDKLIOSK-KRWDZBQOSA-N 0 3 364.405 3.326 20 5 FGBDHN Cc1c(Br)c(N[C@@H]2CCN3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000165747578 496668322 /nfs/dbraw/zinc/66/83/22/496668322.db2.gz GEAWAHPAHUUANF-GHMZBOCLSA-N 0 3 355.236 3.099 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176114573 496689156 /nfs/dbraw/zinc/68/91/56/496689156.db2.gz RPDDEHUTWDYLHE-CZUORRHYSA-N 0 3 359.451 3.439 20 5 FGBDHN COc1ccc([C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000182197629 496704281 /nfs/dbraw/zinc/70/42/81/496704281.db2.gz KLFNZQCFIUVINZ-OXQOHEQNSA-N 0 3 374.437 3.330 20 5 FGBDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194866701 496741508 /nfs/dbraw/zinc/74/15/08/496741508.db2.gz YUPMOGQYHLTDAC-GOSISDBHSA-N 0 3 350.415 3.015 20 5 FGBDHN COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC000191721931 496866900 /nfs/dbraw/zinc/86/69/00/496866900.db2.gz MDHXGLSONADDGB-JLTOFOAXSA-N 0 3 374.437 3.028 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000264576998 496934049 /nfs/dbraw/zinc/93/40/49/496934049.db2.gz IRBXVZNRVUFIEB-ZDUSSCGKSA-N 0 3 352.822 3.340 20 5 FGBDHN 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ZINC000492911799 503393173 /nfs/dbraw/zinc/39/31/73/503393173.db2.gz MWBAZTBHKKWBIH-HUUCEWRRSA-N 0 3 352.456 3.090 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(CCN1CCCC1)c1ccccc1 ZINC000593068859 506373610 /nfs/dbraw/zinc/37/36/10/506373610.db2.gz PREMRTIMWBHLLW-UHFFFAOYSA-N 0 3 371.412 3.405 20 5 FGBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000516206524 503470265 /nfs/dbraw/zinc/47/02/65/503470265.db2.gz LPWBCCVRCZMPIN-KRWDZBQOSA-N 0 3 358.442 3.154 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000499738447 503470967 /nfs/dbraw/zinc/47/09/67/503470967.db2.gz FBQIEWSMYJSLLM-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN O=[N+]([O-])c1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000593068463 506371186 /nfs/dbraw/zinc/37/11/86/506371186.db2.gz OMYFOWOYHQJHDR-ROUUACIJSA-N 0 3 373.478 3.132 20 5 FGBDHN CCN(CC)C(=O)C[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494475943 503548652 /nfs/dbraw/zinc/54/86/52/503548652.db2.gz 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CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C(C)C)C1=O ZINC000536872763 503745614 /nfs/dbraw/zinc/74/56/14/503745614.db2.gz YKOPZUIILUVUJM-KGLIPLIRSA-N 0 3 351.472 3.064 20 5 FGBDHN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000517599976 503781563 /nfs/dbraw/zinc/78/15/63/503781563.db2.gz SRQFAWHZDADJMA-GPMSIDNRSA-N 0 3 371.485 3.128 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000518597010 504023770 /nfs/dbraw/zinc/02/37/70/504023770.db2.gz YFBFXLWJWAOYHZ-OKILXGFUSA-N 0 3 360.458 3.162 20 5 FGBDHN O=C(C1CC1)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000518768293 504058172 /nfs/dbraw/zinc/05/81/72/504058172.db2.gz OJCGGYZNYYYXAP-UHFFFAOYSA-N 0 3 369.421 3.345 20 5 FGBDHN Cc1c([C@@H](C)NCc2ccc(NS(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000537991337 504104616 /nfs/dbraw/zinc/10/46/16/504104616.db2.gz NJHHIVFPWLAFSS-CYBMUJFWSA-N 0 3 363.439 3.126 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541593133 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Cc1ccnc(NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000609670189 506968446 /nfs/dbraw/zinc/96/84/46/506968446.db2.gz YUCDJYGIJMFRPR-UHFFFAOYSA-N 0 3 350.488 3.462 20 5 FGBDHN CCOC(=O)c1ccnc(NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000609963699 507056054 /nfs/dbraw/zinc/05/60/54/507056054.db2.gz GYKSFUZFDIDJER-AWEZNQCLSA-N 0 3 372.425 3.099 20 5 FGBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503203 507157660 /nfs/dbraw/zinc/15/76/60/507157660.db2.gz GSWAVGNSEAZOTI-CRAIPNDOSA-N 0 3 356.422 3.228 20 5 FGBDHN CCO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000610272156 507169423 /nfs/dbraw/zinc/16/94/23/507169423.db2.gz DVBXLQGNLHJXGK-IRXDYDNUSA-N 0 3 362.426 3.289 20 5 FGBDHN O=[N+]([O-])c1ncccc1NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000610510594 507271545 /nfs/dbraw/zinc/27/15/45/507271545.db2.gz KBHNEHYZWQCDRA-UHFFFAOYSA-N 0 3 370.453 3.473 20 5 FGBDHN O=C([C@@H]1CCCCN1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584332118 507283938 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20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC2(CC1)OCc1ccccc12 ZINC000610738742 507371701 /nfs/dbraw/zinc/37/17/01/507371701.db2.gz VUFMOLGWQYTVAP-UHFFFAOYSA-N 0 3 354.406 3.495 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000595060928 507373407 /nfs/dbraw/zinc/37/34/07/507373407.db2.gz IXMWQGSBLVOWJW-RHSMWYFYSA-N 0 3 353.422 3.093 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN(CCN1CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592131346 507496801 /nfs/dbraw/zinc/49/68/01/507496801.db2.gz YJDRWXJKJJMAON-WGSAOQKQSA-N 0 3 361.486 3.186 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](Cc3ccccc3)C1)OCCO2 ZINC000611254927 507583482 /nfs/dbraw/zinc/58/34/82/507583482.db2.gz SAFVBJAJYGCWRU-INIZCTEOSA-N 0 3 354.406 3.431 20 5 FGBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000595631330 507601877 /nfs/dbraw/zinc/60/18/77/507601877.db2.gz HJOOXTUSJLCJTO-BMGDILEWSA-N 0 3 366.458 3.038 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587987472 507724795 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CC(COC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[N+](=O)[O-] ZINC000813114196 726840319 /nfs/dbraw/zinc/84/03/19/726840319.db2.gz NFJPWYJQDRDQJI-SNVBAGLBSA-N 0 3 354.384 3.452 20 5 FGBDHN CCOc1ccc(-c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s2)cc1 ZINC000813115334 726840694 /nfs/dbraw/zinc/84/06/94/726840694.db2.gz PFCSSBURNLUIIY-JTQLQIEISA-N 0 3 350.396 3.339 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813411020 726871825 /nfs/dbraw/zinc/87/18/25/726871825.db2.gz WOYRJEYBPSEORH-JTQLQIEISA-N 0 3 360.241 3.363 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206611 727052164 /nfs/dbraw/zinc/05/21/64/727052164.db2.gz AQIXXZJQHXCFQU-QZTJIDSGSA-N 0 3 362.813 3.435 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000838186799 730098046 /nfs/dbraw/zinc/09/80/46/730098046.db2.gz HLHVUIYJVAYKKS-YVMONPNESA-N 0 3 359.451 3.260 20 5 FGBDHN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000843428807 730619723 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FGBDHN C[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Br)cn1 ZINC000877492485 736671711 /nfs/dbraw/zinc/67/17/11/736671711.db2.gz XKFODYBNRFPNJN-GCVQQVDUSA-N 0 3 366.219 3.003 20 5 FGBDHN Cc1cc(N2CCC[C@@H](NCc3ccc(Cl)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000894059092 742232943 /nfs/dbraw/zinc/23/29/43/742232943.db2.gz STZNSOLJWZPHIK-OAHLLOKOSA-N 0 3 363.849 3.049 20 5 FGBDHN COc1c([O-])ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC000895771166 742452686 /nfs/dbraw/zinc/45/26/86/742452686.db2.gz IULSNKTYNJIRIC-OAHLLOKOSA-N 0 3 350.415 3.138 20 5 FGBDHN CC1(C)O[C@@H]2C[C@@H](NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2O1 ZINC000897050802 742636558 /nfs/dbraw/zinc/63/65/58/742636558.db2.gz RKWFMNFCOJFSLG-DEZZGGKRSA-N 0 3 360.332 3.386 20 5 FGBDHN Cc1c(NC(=O)CCN(C)Cc2cc(C(C)(C)C)[nH]n2)cccc1[N+](=O)[O-] ZINC000570895704 505604841 /nfs/dbraw/zinc/60/48/41/505604841.db2.gz DCCMDPCJURCVCA-UHFFFAOYSA-N 0 3 373.457 3.384 20 5 FGBDHN CC(C)c1ccc(CNCc2ccncc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000579877930 505636858 /nfs/dbraw/zinc/63/68/58/505636858.db2.gz XHICHFDDDUNPQF-UHFFFAOYSA-N 0 3 372.469 3.343 20 5 FGBDHN Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000029177426 493823217 /nfs/dbraw/zinc/82/32/17/493823217.db2.gz CQEFNMNHVRNDLP-GOSISDBHSA-N 0 3 353.422 3.470 20 5 FGBDHN O=C(CCN1CCN(CC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000049981974 493889903 /nfs/dbraw/zinc/88/99/03/493889903.db2.gz KZWFWISUTLLYOW-UHFFFAOYSA-N 0 3 374.485 3.121 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000060063776 493913202 /nfs/dbraw/zinc/91/32/02/493913202.db2.gz TYXVKKLWSSYBDU-LJQANCHMSA-N 0 3 371.437 3.199 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000060369959 493928071 /nfs/dbraw/zinc/92/80/71/493928071.db2.gz XDVHJPLCPTZKER-QGZVFWFLSA-N 0 3 368.437 3.418 20 5 FGBDHN Cc1ccc(C[C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000051063928 493947750 /nfs/dbraw/zinc/94/77/50/493947750.db2.gz OOEGRWQPXQPQNJ-QGZVFWFLSA-N 0 3 367.449 3.457 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000032246219 493978227 /nfs/dbraw/zinc/97/82/27/493978227.db2.gz AZPGQMULRDUTAL-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063726552 494080651 /nfs/dbraw/zinc/08/06/51/494080651.db2.gz SXHOHFYGEZXAMK-UHFFFAOYSA-N 0 3 351.472 3.020 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000063725429 494081449 /nfs/dbraw/zinc/08/14/49/494081449.db2.gz FWDIJPCWQPDUJU-CQSZACIVSA-N 0 3 365.499 3.408 20 5 FGBDHN O=C(Nc1cccc2c1CCNC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000577274872 505698963 /nfs/dbraw/zinc/69/89/63/505698963.db2.gz YJVVRLRBJITJNA-UHFFFAOYSA-N 0 3 352.394 3.067 20 5 FGBDHN COc1cc2c(cc1OC)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000036442046 494092895 /nfs/dbraw/zinc/09/28/95/494092895.db2.gz QEJSOKNMABMFNG-UHFFFAOYSA-N 0 3 372.421 3.439 20 5 FGBDHN CN1CCC(N(Cc2ccco2)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000071838626 494104160 /nfs/dbraw/zinc/10/41/60/494104160.db2.gz KCTWVYSDBWVARO-BQYQJAHWSA-N 0 3 369.421 3.324 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000064522167 494131291 /nfs/dbraw/zinc/13/12/91/494131291.db2.gz FOWXBNYOPKORDV-INIZCTEOSA-N 0 3 373.478 3.227 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](CO)c3cccnc3)o2)cc1 ZINC000577321204 505704777 /nfs/dbraw/zinc/70/47/77/505704777.db2.gz VBCIQBWFVQWGRR-INIZCTEOSA-N 0 3 353.378 3.116 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000065467810 494200901 /nfs/dbraw/zinc/20/09/01/494200901.db2.gz XKIILGVRBQFLSM-SFHVURJKSA-N 0 3 356.426 3.005 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054226005 494209313 /nfs/dbraw/zinc/20/93/13/494209313.db2.gz KEFDCSAJMPUJNO-YJBOKZPZSA-N 0 3 353.422 3.089 20 5 FGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065893611 494252806 /nfs/dbraw/zinc/25/28/06/494252806.db2.gz GLSLLXVWEXRLTE-UHFFFAOYSA-N 0 3 363.364 3.077 20 5 FGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000065931711 494257990 /nfs/dbraw/zinc/25/79/90/494257990.db2.gz LWNYQCXVRDGNPC-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000043085647 494263106 /nfs/dbraw/zinc/26/31/06/494263106.db2.gz NZDXURRKUORDRH-KGLIPLIRSA-N 0 3 351.472 3.066 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000043149743 494271516 /nfs/dbraw/zinc/27/15/16/494271516.db2.gz HYMXPTLJPYYNGI-QGZVFWFLSA-N 0 3 356.426 3.198 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000089580916 494325907 /nfs/dbraw/zinc/32/59/07/494325907.db2.gz HOFATKXASGRNJI-ZDUSSCGKSA-N 0 3 355.394 3.209 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000089603011 494330070 /nfs/dbraw/zinc/33/00/70/494330070.db2.gz YRJFSEKYPMJEPJ-CYBMUJFWSA-N 0 3 359.348 3.279 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000055406691 494339752 /nfs/dbraw/zinc/33/97/52/494339752.db2.gz ACJJSPTYPBYXTG-UONOGXRCSA-N 0 3 360.458 3.019 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000067040290 494460985 /nfs/dbraw/zinc/46/09/85/494460985.db2.gz OGMAGAMXNZSKJT-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000090463865 494470520 /nfs/dbraw/zinc/47/05/20/494470520.db2.gz LVSRCEZAOJMBOP-MAUKXSAKSA-N 0 3 359.470 3.439 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000079553117 494479088 /nfs/dbraw/zinc/47/90/88/494479088.db2.gz SAMSBTVLMAURLN-HIFRSBDPSA-N 0 3 359.451 3.439 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000067140113 494482169 /nfs/dbraw/zinc/48/21/69/494482169.db2.gz QPJPEAHNPOTIOI-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000067361216 494521607 /nfs/dbraw/zinc/52/16/07/494521607.db2.gz HABKHEWWFYMTCO-INIZCTEOSA-N 0 3 371.412 3.376 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000046408579 494525558 /nfs/dbraw/zinc/52/55/58/494525558.db2.gz JTCPXYLJLYOQFE-HZPDHXFCSA-N 0 3 374.485 3.045 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000022700472 494531439 /nfs/dbraw/zinc/53/14/39/494531439.db2.gz ZDJLZFVVGNJSBV-LJQANCHMSA-N 0 3 371.437 3.416 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000056886463 494583394 /nfs/dbraw/zinc/58/33/94/494583394.db2.gz YFIZHBOVPMVUNW-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN CN1CCC[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000091482876 494608747 /nfs/dbraw/zinc/60/87/47/494608747.db2.gz HMFQXQSFKFMDGW-VIFPVBQESA-N 0 3 362.308 3.276 20 5 FGBDHN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000121131674 494611158 /nfs/dbraw/zinc/61/11/58/494611158.db2.gz KUCBTOGWSRPCOP-CYBMUJFWSA-N 0 3 373.409 3.119 20 5 FGBDHN O=[N+]([O-])c1cccnc1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000057150890 494656805 /nfs/dbraw/zinc/65/68/05/494656805.db2.gz WJEXUOFLAPHGBZ-UHFFFAOYSA-N 0 3 353.426 3.265 20 5 FGBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1 ZINC000126234912 494680570 /nfs/dbraw/zinc/68/05/70/494680570.db2.gz GFXJGGQRSUHQAV-QGZVFWFLSA-N 0 3 357.385 3.283 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](c1cccs1)N1CCOCC1 ZINC000571460923 505738331 /nfs/dbraw/zinc/73/83/31/505738331.db2.gz DBOLPNKKGQVIDG-SJLPKXTDSA-N 0 3 373.478 3.307 20 5 FGBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000091986213 494745576 /nfs/dbraw/zinc/74/55/76/494745576.db2.gz ZOUJVXDZLMWJKN-LBPRGKRZSA-N 0 3 362.382 3.104 20 5 FGBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093298713 494863131 /nfs/dbraw/zinc/86/31/31/494863131.db2.gz QFQTZKWSTONNBC-OAHLLOKOSA-N 0 3 364.442 3.275 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000127323241 494928288 /nfs/dbraw/zinc/92/82/88/494928288.db2.gz FZWATVZIXJDFGY-QAPCUYQASA-N 0 3 368.437 3.057 20 5 FGBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000117756235 494953240 /nfs/dbraw/zinc/95/32/40/494953240.db2.gz KRVYEAOMUFEXOV-OLZOCXBDSA-N 0 3 353.850 3.027 20 5 FGBDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226992 495050005 /nfs/dbraw/zinc/05/00/05/495050005.db2.gz AMACCMPVBFWURO-RYUDHWBXSA-N 0 3 363.414 3.161 20 5 FGBDHN CCO[C@@H]1C[C@@H]1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000568715317 505759445 /nfs/dbraw/zinc/75/94/45/505759445.db2.gz ARAWCZVPUTUFPG-PKOBYXMFSA-N 0 3 372.421 3.449 20 5 FGBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1OCCN1CCCC1 ZINC000119198283 495115639 /nfs/dbraw/zinc/11/56/39/495115639.db2.gz YGEBQPLDXDOKPR-UHFFFAOYSA-N 0 3 359.382 3.223 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000123360262 495119956 /nfs/dbraw/zinc/11/99/56/495119956.db2.gz BOSKJCPGSNWIOW-RCOIXESOSA-N 0 3 351.834 3.203 20 5 FGBDHN Cc1c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000580452861 505763261 /nfs/dbraw/zinc/76/32/61/505763261.db2.gz JXGDXTQPOSWLGH-FQEVSTJZSA-N 0 3 353.422 3.298 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000103114344 495193979 /nfs/dbraw/zinc/19/39/79/495193979.db2.gz FZBOTKSGQAEIIT-UHFFFAOYSA-N 0 3 355.438 3.036 20 5 FGBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571586599 505767183 /nfs/dbraw/zinc/76/71/83/505767183.db2.gz RKMOYYCATUSQOI-KSSFIOAISA-N 0 3 362.426 3.102 20 5 FGBDHN CCc1nc2n(n1)C[C@@H](NCc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112550608 495203796 /nfs/dbraw/zinc/20/37/96/495203796.db2.gz JEUPEPWFAWCYAX-INIZCTEOSA-N 0 3 374.444 3.205 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccco1 ZINC000574427591 505770800 /nfs/dbraw/zinc/77/08/00/505770800.db2.gz AOLLKUIDBPVZBZ-DOMZBBRYSA-N 0 3 360.414 3.089 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(c4cc[nH]n4)CC3)o2)c1 ZINC000104681621 495296119 /nfs/dbraw/zinc/29/61/19/495296119.db2.gz PIXCUAFVLSXXQG-UHFFFAOYSA-N 0 3 367.409 3.395 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000129890411 495310727 /nfs/dbraw/zinc/31/07/27/495310727.db2.gz VMEBOCYSQLMALG-BEFAXECRSA-N 0 3 367.449 3.225 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107524722 495528425 /nfs/dbraw/zinc/52/84/25/495528425.db2.gz ZANCGOLLCHTFPU-CQSZACIVSA-N 0 3 351.834 3.339 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000176209793 495547428 /nfs/dbraw/zinc/54/74/28/495547428.db2.gz ZBRRMUZDSQUOEL-UHFFFAOYSA-N 0 3 355.373 3.201 20 5 FGBDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182399573 495548347 /nfs/dbraw/zinc/54/83/47/495548347.db2.gz HVRGGBHHBDAFGH-DOTOQJQBSA-N 0 3 374.437 3.473 20 5 FGBDHN CC[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179487625 495610293 /nfs/dbraw/zinc/61/02/93/495610293.db2.gz YSJTZUWWYBTDDM-HKBOAZHASA-N 0 3 369.465 3.271 20 5 FGBDHN CC(C)CCSc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000176378964 495627900 /nfs/dbraw/zinc/62/79/00/495627900.db2.gz QSROGNKGBYSOIV-UHFFFAOYSA-N 0 3 353.488 3.367 20 5 FGBDHN CN(CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccco1 ZINC000571707921 505795509 /nfs/dbraw/zinc/79/55/09/505795509.db2.gz GENPDTMLPBPHMC-UHFFFAOYSA-N 0 3 357.414 3.018 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000179752379 495718548 /nfs/dbraw/zinc/71/85/48/495718548.db2.gz JEZNAYRERPONJD-SFHVURJKSA-N 0 3 371.437 3.335 20 5 FGBDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000155051895 495817914 /nfs/dbraw/zinc/81/79/14/495817914.db2.gz HOTLGNRXLIWHSC-CQSZACIVSA-N 0 3 357.410 3.080 20 5 FGBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000183277643 495912653 /nfs/dbraw/zinc/91/26/53/495912653.db2.gz PQWCSLPTCCALKS-QGZVFWFLSA-N 0 3 368.437 3.457 20 5 FGBDHN CCN(CC)Cc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180332733 495954768 /nfs/dbraw/zinc/95/47/68/495954768.db2.gz LOFKKXNZYBYTGM-UHFFFAOYSA-N 0 3 371.393 3.418 20 5 FGBDHN CCOc1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180426456 495992991 /nfs/dbraw/zinc/99/29/91/495992991.db2.gz BRUVPECPBNPRPZ-RHSMWYFYSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000183499038 496010553 /nfs/dbraw/zinc/01/05/53/496010553.db2.gz VOPLGXGOHSATHI-PWSUYJOCSA-N 0 3 369.874 3.082 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000174856961 496136787 /nfs/dbraw/zinc/13/67/87/496136787.db2.gz VHHBRMXAAQQJNH-UHFFFAOYSA-N 0 3 357.389 3.291 20 5 FGBDHN Cc1cc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174923650 496165915 /nfs/dbraw/zinc/16/59/15/496165915.db2.gz RNEVLQYDFCQEDA-GOSISDBHSA-N 0 3 367.449 3.497 20 5 FGBDHN COc1ccc(OCCN(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183936011 496168220 /nfs/dbraw/zinc/16/82/20/496168220.db2.gz XCLWHKZIDHIJQW-GFCCVEGCSA-N 0 3 351.428 3.174 20 5 FGBDHN COC(=O)CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000152540576 496182646 /nfs/dbraw/zinc/18/26/46/496182646.db2.gz XTYHPIJGKRIPAB-UHFFFAOYSA-N 0 3 374.393 3.057 20 5 FGBDHN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000187207128 496339149 /nfs/dbraw/zinc/33/91/49/496339149.db2.gz ZGCRECPJPZAJMY-KUHUBIRLSA-N 0 3 373.478 3.495 20 5 FGBDHN CCc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000178655848 496530405 /nfs/dbraw/zinc/53/04/05/496530405.db2.gz KDGGQVRMTSIMBX-WMLDXEAASA-N 0 3 355.442 3.267 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178728163 496552548 /nfs/dbraw/zinc/55/25/48/496552548.db2.gz HNYNJQKKJCBSJM-HNNXBMFYSA-N 0 3 373.453 3.395 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000181842387 496568592 /nfs/dbraw/zinc/56/85/92/496568592.db2.gz UQAOUEXFNZDRCV-GDBMZVCRSA-N 0 3 369.421 3.475 20 5 FGBDHN CC(=O)Nc1cccc(OCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569116281 505856266 /nfs/dbraw/zinc/85/62/66/505856266.db2.gz FNPZMDINUOQLMW-SFHVURJKSA-N 0 3 355.394 3.209 20 5 FGBDHN CN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158408815 496695542 /nfs/dbraw/zinc/69/55/42/496695542.db2.gz CSNWHOUJWCJABW-QGZVFWFLSA-N 0 3 353.422 3.470 20 5 FGBDHN C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273189153 496734990 /nfs/dbraw/zinc/73/49/90/496734990.db2.gz GHAVDHKRTZOZMF-LLVKDONJSA-N 0 3 369.874 3.107 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1CN1CCCCC1 ZINC000273362180 496784192 /nfs/dbraw/zinc/78/41/92/496784192.db2.gz FIHIZOWMXUQKJU-CQSZACIVSA-N 0 3 350.394 3.216 20 5 FGBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191536890 496801453 /nfs/dbraw/zinc/80/14/53/496801453.db2.gz OSZBNWLKCYIACW-INIZCTEOSA-N 0 3 369.421 3.045 20 5 FGBDHN COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC000191721886 496867331 /nfs/dbraw/zinc/86/73/31/496867331.db2.gz MDHXGLSONADDGB-XOBRGWDASA-N 0 3 374.437 3.028 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192062322 496981925 /nfs/dbraw/zinc/98/19/25/496981925.db2.gz COUJJCSCQLZDQB-OKZBNKHCSA-N 0 3 362.813 3.401 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000215796942 496983061 /nfs/dbraw/zinc/98/30/61/496983061.db2.gz FCVCVBLUFCEIEB-CYBMUJFWSA-N 0 3 374.466 3.323 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000189784915 497243626 /nfs/dbraw/zinc/24/36/26/497243626.db2.gz ZIOYKOAABNCPCJ-QZTJIDSGSA-N 0 3 354.410 3.470 20 5 FGBDHN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266072758 497247777 /nfs/dbraw/zinc/24/77/77/497247777.db2.gz DFDXFIFRKGFVFL-PBHICJAKSA-N 0 3 361.467 3.380 20 5 FGBDHN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000275656261 497394347 /nfs/dbraw/zinc/39/43/47/497394347.db2.gz NLJDCWHJMHCDLQ-UHFFFAOYSA-N 0 3 372.381 3.168 20 5 FGBDHN C[C@H](N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000245472466 497422709 /nfs/dbraw/zinc/42/27/09/497422709.db2.gz ZBDQTCXGLRCGFT-LRQRDZAKSA-N 0 3 369.465 3.128 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000275801096 497435913 /nfs/dbraw/zinc/43/59/13/497435913.db2.gz LBYSGRIQZHSQFP-TZMCWYRMSA-N 0 3 351.834 3.113 20 5 FGBDHN COc1cc(CNCCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000190396211 497463587 /nfs/dbraw/zinc/46/35/87/497463587.db2.gz LFDVGGKQUWLAPZ-UHFFFAOYSA-N 0 3 360.410 3.267 20 5 FGBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245640646 497484788 /nfs/dbraw/zinc/48/47/88/497484788.db2.gz KLRFLLLRUYGIII-JVPBZIDWSA-N 0 3 368.437 3.400 20 5 FGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1NCCc2ccccc21 ZINC000262142287 497514425 /nfs/dbraw/zinc/51/44/25/497514425.db2.gz FDHNVOFBXWCLHM-CYBMUJFWSA-N 0 3 352.316 3.308 20 5 FGBDHN COCCN1CCC[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971485 497587341 /nfs/dbraw/zinc/58/73/41/497587341.db2.gz OCWDQURQZFJXKL-LEWJYISDSA-N 0 3 369.465 3.385 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1CCN(C)C ZINC000280179254 497673320 /nfs/dbraw/zinc/67/33/20/497673320.db2.gz YCICZSJUFAGLCW-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN COc1cc(CNC[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272672337 497697715 /nfs/dbraw/zinc/69/77/15/497697715.db2.gz UBUDIEZSRYAEBD-RYUDHWBXSA-N 0 3 374.384 3.152 20 5 FGBDHN CC(C)N1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268378792 497737253 /nfs/dbraw/zinc/73/72/53/497737253.db2.gz NOXXPFHVDDBXGL-GWCFXTLKSA-N 0 3 359.348 3.072 20 5 FGBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1c1ccccc1 ZINC000246449281 497738426 /nfs/dbraw/zinc/73/84/26/497738426.db2.gz COBJEYMPECSLKY-QFBILLFUSA-N 0 3 355.438 3.272 20 5 FGBDHN CCOc1ccc([C@H](C)NC2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277099624 497742098 /nfs/dbraw/zinc/74/20/98/497742098.db2.gz LHHSVPVFJXWVGR-AWEZNQCLSA-N 0 3 371.441 3.103 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2ccccc2[N+](=O)[O-])CC1 ZINC000301058605 497932692 /nfs/dbraw/zinc/93/26/92/497932692.db2.gz BCXXIIAJJFDYBH-UHFFFAOYSA-N 0 3 354.454 3.344 20 5 FGBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301113660 497956518 /nfs/dbraw/zinc/95/65/18/497956518.db2.gz WLSXYEFNOQXINJ-KRWDZBQOSA-N 0 3 371.372 3.098 20 5 FGBDHN COc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000296358101 498011313 /nfs/dbraw/zinc/01/13/13/498011313.db2.gz RZPDZVCGGINKOW-VQISRLSMSA-N 0 3 372.368 3.108 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CN1C1CC1 ZINC000281302181 498096886 /nfs/dbraw/zinc/09/68/86/498096886.db2.gz RMDPGISZGVEGMY-UKRRQHHQSA-N 0 3 366.421 3.012 20 5 FGBDHN CCc1cc(N2CC[C@H](N3CC=CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301428049 498105415 /nfs/dbraw/zinc/10/54/15/498105415.db2.gz FERWOXDXMNHFJP-SFHVURJKSA-N 0 3 365.437 3.065 20 5 FGBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000301542627 498155252 /nfs/dbraw/zinc/15/52/52/498155252.db2.gz OLPSEHONOXJDEP-AWEZNQCLSA-N 0 3 365.231 3.467 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000301553622 498160526 /nfs/dbraw/zinc/16/05/26/498160526.db2.gz VZYBLNOXGKBZBJ-MRXNPFEDSA-N 0 3 374.466 3.265 20 5 FGBDHN Cc1cnc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301578495 498171377 /nfs/dbraw/zinc/17/13/77/498171377.db2.gz UCAPIAWONZVFRV-HZPDHXFCSA-N 0 3 362.474 3.014 20 5 FGBDHN CCOC1(C)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000292892407 498187442 /nfs/dbraw/zinc/18/74/42/498187442.db2.gz ZEJMTPSZUBOGPJ-UHFFFAOYSA-N 0 3 358.442 3.386 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296814065 498206931 /nfs/dbraw/zinc/20/69/31/498206931.db2.gz ROVUVLDHPSRWLN-INIZCTEOSA-N 0 3 352.822 3.198 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000301682812 498221982 /nfs/dbraw/zinc/22/19/82/498221982.db2.gz KJBWHNALDFDDJU-WDEREUQCSA-N 0 3 357.252 3.285 20 5 FGBDHN COc1ccc(CN[C@@H](C)CCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661105 498235660 /nfs/dbraw/zinc/23/56/60/498235660.db2.gz IRFXDDNSWWDLAX-ZDUSSCGKSA-N 0 3 367.446 3.386 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000581540186 506011440 /nfs/dbraw/zinc/01/14/40/506011440.db2.gz OWNCXAMELBPZOX-PBFPGSCMSA-N 0 3 363.483 3.119 20 5 FGBDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360758278 498306092 /nfs/dbraw/zinc/30/60/92/498306092.db2.gz WNABHGFTZJLRIU-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000302032853 498377076 /nfs/dbraw/zinc/37/70/76/498377076.db2.gz CXIZQYXTXQFUTI-MRXNPFEDSA-N 0 3 361.829 3.427 20 5 FGBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302164852 498423696 /nfs/dbraw/zinc/42/36/96/498423696.db2.gz IZBFXAKXCRWYIB-UHFFFAOYSA-N 0 3 356.426 3.101 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)nc1OCc1ccccc1 ZINC000302175227 498429282 /nfs/dbraw/zinc/42/92/82/498429282.db2.gz NZBFYOFUPUZJOL-KRWDZBQOSA-N 0 3 366.421 3.019 20 5 FGBDHN Cc1nn(C)c(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000302209381 498444473 /nfs/dbraw/zinc/44/44/73/498444473.db2.gz BQZGAADSNPNICV-CYBMUJFWSA-N 0 3 371.363 3.370 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000365583785 498543717 /nfs/dbraw/zinc/54/37/17/498543717.db2.gz ZFDYRSXXDXWLQA-IAGOWNOFSA-N 0 3 369.421 3.457 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000282669434 498604973 /nfs/dbraw/zinc/60/49/73/498604973.db2.gz OUOSXTVUZXTMJC-SFHVURJKSA-N 0 3 357.410 3.026 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000282717135 498625024 /nfs/dbraw/zinc/62/50/24/498625024.db2.gz LUNOVODSHDBHFN-NEPJUHHUSA-N 0 3 365.430 3.448 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000294310888 498653283 /nfs/dbraw/zinc/65/32/83/498653283.db2.gz WKPNEQZGTXTMOT-INIZCTEOSA-N 0 3 371.359 3.172 20 5 FGBDHN O=C(CCC(=O)N1CCC[C@H]1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000294413289 498686550 /nfs/dbraw/zinc/68/65/50/498686550.db2.gz AUAMBAUFFLSEAT-SFHVURJKSA-N 0 3 373.453 3.035 20 5 FGBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287330873 498719143 /nfs/dbraw/zinc/71/91/43/498719143.db2.gz VLELGULZCWESLU-IAQYHMDHSA-N 0 3 371.359 3.312 20 5 FGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596622 498735730 /nfs/dbraw/zinc/73/57/30/498735730.db2.gz GVVYROWQQYMGDT-CHWSQXEVSA-N 0 3 371.359 3.312 20 5 FGBDHN O=C(CCC(=O)N1CCCC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294617535 498749967 /nfs/dbraw/zinc/74/99/67/498749967.db2.gz NJPWPKCGOSLGGS-SFHVURJKSA-N 0 3 373.453 3.035 20 5 FGBDHN CCc1nn(C)c(NC[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000311895849 498755416 /nfs/dbraw/zinc/75/54/16/498755416.db2.gz DZVKQPUGGPHHLF-INIZCTEOSA-N 0 3 357.458 3.215 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000312073440 498755939 /nfs/dbraw/zinc/75/59/39/498755939.db2.gz OWOAHWPIRNTVPA-ROUUACIJSA-N 0 3 352.438 3.257 20 5 FGBDHN CNc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000312800868 498764600 /nfs/dbraw/zinc/76/46/00/498764600.db2.gz QJFGGBZJUWJOKG-PBHICJAKSA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1c(CC(=O)NC2CCN(Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000366699976 499038812 /nfs/dbraw/zinc/03/88/12/499038812.db2.gz JSDBTBLGBFMYCJ-UHFFFAOYSA-N 0 3 373.478 3.288 20 5 FGBDHN O=C(CCN1CCC[C@H](c2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295706301 499084636 /nfs/dbraw/zinc/08/46/36/499084636.db2.gz FTHADMNHSLIHHM-HNNXBMFYSA-N 0 3 372.400 3.337 20 5 FGBDHN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000368059477 499260712 /nfs/dbraw/zinc/26/07/12/499260712.db2.gz RFDHFCCEIIBJDD-AEFFLSMTSA-N 0 3 356.382 3.038 20 5 FGBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000369328752 499391741 /nfs/dbraw/zinc/39/17/41/499391741.db2.gz CUFMFIVKPRRPTH-KXBFYZLASA-N 0 3 367.453 3.087 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000369571408 499420506 /nfs/dbraw/zinc/42/05/06/499420506.db2.gz WUKCJPDPRZTBQA-SUMWQHHRSA-N 0 3 359.451 3.388 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000369596604 499424438 /nfs/dbraw/zinc/42/44/38/499424438.db2.gz JQSVNNMYRKNXSN-UXLLHSPISA-N 0 3 364.442 3.128 20 5 FGBDHN Cc1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c2ccccc2n1 ZINC000372358668 499424582 /nfs/dbraw/zinc/42/45/82/499424582.db2.gz SPTKVOIFLQDYFS-INIZCTEOSA-N 0 3 351.410 3.485 20 5 FGBDHN CCNc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000390709489 499555181 /nfs/dbraw/zinc/55/51/81/499555181.db2.gz IWKQOYLRRXCEJA-OAHLLOKOSA-N 0 3 370.453 3.277 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)c2ccccc2C1 ZINC000375823429 499559215 /nfs/dbraw/zinc/55/92/15/499559215.db2.gz JRDZAXNVDZFBDT-LJQANCHMSA-N 0 3 369.421 3.171 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000397958657 499564839 /nfs/dbraw/zinc/56/48/39/499564839.db2.gz CQVUZCWEWNRPFH-RHSMWYFYSA-N 0 3 365.437 3.216 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000397958660 499565025 /nfs/dbraw/zinc/56/50/25/499565025.db2.gz CQVUZCWEWNRPFH-WMLDXEAASA-N 0 3 365.437 3.216 20 5 FGBDHN O=C(Nc1cccc2c1CNCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000375957534 499571815 /nfs/dbraw/zinc/57/18/15/499571815.db2.gz LSVFVBNGAASFEX-UHFFFAOYSA-N 0 3 352.394 3.067 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000582202718 506157011 /nfs/dbraw/zinc/15/70/11/506157011.db2.gz YMFJJHBYBYEXCJ-QGZVFWFLSA-N 0 3 357.458 3.078 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1cccnc1 ZINC000411405768 499735727 /nfs/dbraw/zinc/73/57/27/499735727.db2.gz AMTGMTHOHHUOIT-QGZVFWFLSA-N 0 3 370.409 3.164 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414312779 499776801 /nfs/dbraw/zinc/77/68/01/499776801.db2.gz JUUGVAARNXXLKC-DYVFJYSZSA-N 0 3 357.385 3.060 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411951834 499806041 /nfs/dbraw/zinc/80/60/41/499806041.db2.gz SIKVOAPRUIZZAY-APWZRJJASA-N 0 3 369.421 3.040 20 5 FGBDHN COCCN(C)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000413128581 499917197 /nfs/dbraw/zinc/91/71/97/499917197.db2.gz WRDFIVORIJEXEL-QGZVFWFLSA-N 0 3 362.405 3.250 20 5 FGBDHN COc1ccc([C@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413219882 499928783 /nfs/dbraw/zinc/92/87/83/499928783.db2.gz BIRMZLYLXGTTJW-KRWDZBQOSA-N 0 3 360.389 3.387 20 5 FGBDHN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(C)(C)CN1CCCC1 ZINC000416099339 499948318 /nfs/dbraw/zinc/94/83/18/499948318.db2.gz UWIOMCQBJRUGQO-UHFFFAOYSA-N 0 3 351.472 3.020 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417143184 499986619 /nfs/dbraw/zinc/98/66/19/499986619.db2.gz UNZBQWYIDBOWDJ-SCLBCKFNSA-N 0 3 356.426 3.217 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424999829 499987720 /nfs/dbraw/zinc/98/77/20/499987720.db2.gz ABRJIIUNULKPGW-FXAWDEMLSA-N 0 3 365.433 3.250 20 5 FGBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425017160 499995607 /nfs/dbraw/zinc/99/56/07/499995607.db2.gz YFNNOZXUPVNIMP-HNAYVOBHSA-N 0 3 369.396 3.080 20 5 FGBDHN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OCCN(C)C ZINC000416341019 500020301 /nfs/dbraw/zinc/02/03/01/500020301.db2.gz LSOKQJXEEABODA-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@H](CO)C[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000421359790 500025969 /nfs/dbraw/zinc/02/59/69/500025969.db2.gz GVUPPBVNOBEIMV-UONOGXRCSA-N 0 3 360.410 3.314 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000425406241 500095144 /nfs/dbraw/zinc/09/51/44/500095144.db2.gz MFATYAJXRLTNOV-LLVKDONJSA-N 0 3 355.232 3.358 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)c1 ZINC000425619785 500161963 /nfs/dbraw/zinc/16/19/63/500161963.db2.gz HIXJKGDFJYCHHK-HNNXBMFYSA-N 0 3 369.421 3.127 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000421902412 500172600 /nfs/dbraw/zinc/17/26/00/500172600.db2.gz CHYAFUWZXKXQID-QGZVFWFLSA-N 0 3 369.421 3.031 20 5 FGBDHN COc1ccc(CC[C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cc1O ZINC000426148297 500240909 /nfs/dbraw/zinc/24/09/09/500240909.db2.gz KJFOWYPWEMXPIF-ZDUSSCGKSA-N 0 3 360.410 3.429 20 5 FGBDHN Cc1c(CC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000422789137 500298371 /nfs/dbraw/zinc/29/83/71/500298371.db2.gz BAHIEZLRNAMEIM-SFHVURJKSA-N 0 3 355.438 3.385 20 5 FGBDHN COC(=O)c1cc(NC(=O)C(C)(C)[C@H](N)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423003148 500329821 /nfs/dbraw/zinc/32/98/21/500329821.db2.gz KQWFWALXAJLITO-MRXNPFEDSA-N 0 3 371.393 3.046 20 5 FGBDHN CCc1ccc([C@@H](N[C@@H]2CNCCC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423469060 500376389 /nfs/dbraw/zinc/37/63/89/500376389.db2.gz CELIEEXRKJLZFJ-SJORKVTESA-N 0 3 365.380 3.426 20 5 FGBDHN CN(C)[C@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000431818020 500428804 /nfs/dbraw/zinc/42/88/04/500428804.db2.gz MHPONGVEOZECAJ-MRXNPFEDSA-N 0 3 353.382 3.103 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000431870512 500436749 /nfs/dbraw/zinc/43/67/49/500436749.db2.gz IUONNSJQNBZRAT-HUUCEWRRSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432323177 500499010 /nfs/dbraw/zinc/49/90/10/500499010.db2.gz BKWUOYBURPOWNT-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](COC)[C@H]1CCCO1 ZINC000433005341 500605229 /nfs/dbraw/zinc/60/52/29/500605229.db2.gz LKTCKMASCJIPIL-IIAWOOMASA-N 0 3 354.472 3.249 20 5 FGBDHN CCc1ccc([C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000433069795 500618392 /nfs/dbraw/zinc/61/83/92/500618392.db2.gz WCEVMTKXJUWQQU-MOPGFXCFSA-N 0 3 370.449 3.386 20 5 FGBDHN CCCOc1ncccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447549534 500622177 /nfs/dbraw/zinc/62/21/77/500622177.db2.gz KKTFSARKUKAJMI-JKSUJKDBSA-N 0 3 359.430 3.249 20 5 FGBDHN CCO[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000570710827 506214791 /nfs/dbraw/zinc/21/47/91/506214791.db2.gz MTQURINPFCSPPH-GOSISDBHSA-N 0 3 357.410 3.291 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000433900880 500761974 /nfs/dbraw/zinc/76/19/74/500761974.db2.gz KPMWGIXDQOSYFK-WMLDXEAASA-N 0 3 360.458 3.280 20 5 FGBDHN C[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602570018 506220615 /nfs/dbraw/zinc/22/06/15/506220615.db2.gz RCYKVKIHWRMSIX-IUCAKERBSA-N 0 3 360.277 3.134 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000444611353 500866298 /nfs/dbraw/zinc/86/62/98/500866298.db2.gz GEIGJQNOHVWUSL-UHFFFAOYSA-N 0 3 374.485 3.047 20 5 FGBDHN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCC[C@@H]1C ZINC000444674175 500876893 /nfs/dbraw/zinc/87/68/93/500876893.db2.gz JTOSWFTVSTXNFO-GXTWGEPZSA-N 0 3 363.414 3.163 20 5 FGBDHN COc1ccc(CN(C[C@@H](O)COc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000444814538 500906355 /nfs/dbraw/zinc/90/63/55/500906355.db2.gz OHRJCWPUOFLEJC-QGZVFWFLSA-N 0 3 374.437 3.254 20 5 FGBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000449126888 500930634 /nfs/dbraw/zinc/93/06/34/500930634.db2.gz NMWKFIQQWJXUHZ-QWHCGFSZSA-N 0 3 355.394 3.208 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)ccc1N1CCOCC1 ZINC000449154946 500936523 /nfs/dbraw/zinc/93/65/23/500936523.db2.gz AESCCGQGNUWTLF-HNNXBMFYSA-N 0 3 373.428 3.291 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000449238589 500955249 /nfs/dbraw/zinc/95/52/49/500955249.db2.gz GWBDRWITTXXZKS-BLLLJJGKSA-N 0 3 361.829 3.386 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449359439 500986228 /nfs/dbraw/zinc/98/62/28/500986228.db2.gz QCHHPANLJNIRFF-SCZPIIQISA-N 0 3 372.446 3.159 20 5 FGBDHN Cn1nnc2cc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000449494345 501016772 /nfs/dbraw/zinc/01/67/72/501016772.db2.gz AGSFDTICYNTDEM-MRXNPFEDSA-N 0 3 351.410 3.256 20 5 FGBDHN CNC(=O)C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449604125 501042654 /nfs/dbraw/zinc/04/26/54/501042654.db2.gz SFGDYPSNDRTZKP-JTQLQIEISA-N 0 3 351.790 3.122 20 5 FGBDHN Cc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000449654323 501051197 /nfs/dbraw/zinc/05/11/97/501051197.db2.gz DTYMGTWPHWGKTL-BPQIPLTHSA-N 0 3 358.442 3.387 20 5 FGBDHN C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681434 501060742 /nfs/dbraw/zinc/06/07/42/501060742.db2.gz VVMOWHYDMAOHKX-CJNGLKHVSA-N 0 3 362.451 3.295 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000446234793 501092039 /nfs/dbraw/zinc/09/20/39/501092039.db2.gz QFMTVWMCDCQCLR-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN CS[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1N(C)C ZINC000450401891 501112714 /nfs/dbraw/zinc/11/27/14/501112714.db2.gz KDZGEVCLNGDKAQ-HUUCEWRRSA-N 0 3 364.496 3.200 20 5 FGBDHN COc1cc(CNC[C@@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1OC ZINC000436376788 501116387 /nfs/dbraw/zinc/11/63/87/501116387.db2.gz CVAANXNNDKLYRC-AWEZNQCLSA-N 0 3 371.437 3.010 20 5 FGBDHN Cc1c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000436720209 501196325 /nfs/dbraw/zinc/19/63/25/501196325.db2.gz IPDAMLZHZMEQPR-MRXNPFEDSA-N 0 3 353.422 3.426 20 5 FGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000436723357 501197421 /nfs/dbraw/zinc/19/74/21/501197421.db2.gz LFWMLXZNAOLFGQ-GOSISDBHSA-N 0 3 353.422 3.047 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000450805702 501211538 /nfs/dbraw/zinc/21/15/38/501211538.db2.gz CZVSEZYEROIESL-HNNXBMFYSA-N 0 3 357.458 3.078 20 5 FGBDHN CCOCCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1CC ZINC000450311982 501230975 /nfs/dbraw/zinc/23/09/75/501230975.db2.gz KALTYRBEPJDKIU-INIZCTEOSA-N 0 3 358.442 3.080 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451481801 501302951 /nfs/dbraw/zinc/30/29/51/501302951.db2.gz SBJMGCKGMLNGFX-RRQGHBQHSA-N 0 3 361.442 3.168 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(F)(Cc3ccc(Cl)cc3)CC2)c1 ZINC000451527561 501313814 /nfs/dbraw/zinc/31/38/14/501313814.db2.gz JULLRKOLPCJRJH-UHFFFAOYSA-N 0 3 366.824 3.492 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000456335131 501501326 /nfs/dbraw/zinc/50/13/26/501501326.db2.gz MNIIBUMAQVWJFC-KRWDZBQOSA-N 0 3 367.449 3.118 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000598990240 506265286 /nfs/dbraw/zinc/26/52/86/506265286.db2.gz AJTLUQMQWXIPBM-SFHVURJKSA-N 0 3 361.829 3.243 20 5 FGBDHN CC(C)(CN1CCCC1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457058027 501642625 /nfs/dbraw/zinc/64/26/25/501642625.db2.gz VHZPLHAHQPQJDS-UHFFFAOYSA-N 0 3 374.466 3.323 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000598990496 506265552 /nfs/dbraw/zinc/26/55/52/506265552.db2.gz GFMFLQCEJVFMIH-SFHVURJKSA-N 0 3 361.829 3.243 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cnccc2C(F)(F)F)n1 ZINC000596118171 506267497 /nfs/dbraw/zinc/26/74/97/506267497.db2.gz RJXTWMUKYWOULI-UONOGXRCSA-N 0 3 369.347 3.479 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463451989 501727819 /nfs/dbraw/zinc/72/78/19/501727819.db2.gz HSNVHALOKRSUGW-OAQYLSRUSA-N 0 3 370.449 3.291 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474380186 501814430 /nfs/dbraw/zinc/81/44/30/501814430.db2.gz SWFHRSVKOXELNO-CQSZACIVSA-N 0 3 358.394 3.306 20 5 FGBDHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000481791636 501885330 /nfs/dbraw/zinc/88/53/30/501885330.db2.gz FWURHZGGIXVLNM-WMZOPIPTSA-N 0 3 373.840 3.005 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156707 506284845 /nfs/dbraw/zinc/28/48/45/506284845.db2.gz WDKPZOHSMQHULZ-RDTXWAMCSA-N 0 3 368.437 3.016 20 5 FGBDHN CC(C)[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000474928120 501994139 /nfs/dbraw/zinc/99/41/39/501994139.db2.gz GPHNMNLCSQUGIG-HUUCEWRRSA-N 0 3 354.472 3.173 20 5 FGBDHN CC(=O)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2C1 ZINC000478499552 502001644 /nfs/dbraw/zinc/00/16/44/502001644.db2.gz RINYRIMJGJCGSO-IBGZPJMESA-N 0 3 353.422 3.486 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000478644677 502042745 /nfs/dbraw/zinc/04/27/45/502042745.db2.gz UJYCHVKFYBXASO-ILXRZTDVSA-N 0 3 365.499 3.455 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000471527768 502055460 /nfs/dbraw/zinc/05/54/60/502055460.db2.gz JQXSSMUVZMICCR-SFHVURJKSA-N 0 3 361.829 3.297 20 5 FGBDHN C[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464220 502066294 /nfs/dbraw/zinc/06/62/94/502066294.db2.gz WWLMCCYWGDJSPM-WBMJQRKESA-N 0 3 351.422 3.074 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468485070 502076601 /nfs/dbraw/zinc/07/66/01/502076601.db2.gz XCYMILWVJJCRKP-FUHWJXTLSA-N 0 3 361.486 3.400 20 5 FGBDHN O=c1[n-]ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000596176683 506294631 /nfs/dbraw/zinc/29/46/31/506294631.db2.gz AYINTMKVZDIARX-UHFFFAOYSA-N 0 3 368.437 3.188 20 5 FGBDHN O=c1[n-]ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000596176683 506294639 /nfs/dbraw/zinc/29/46/39/506294639.db2.gz AYINTMKVZDIARX-UHFFFAOYSA-N 0 3 368.437 3.188 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]4COCC[C@@H]43)o2)c1 ZINC000464854047 502122691 /nfs/dbraw/zinc/12/26/91/502122691.db2.gz PPGOTLRCQWZCOE-WBVHZDCISA-N 0 3 357.410 3.293 20 5 FGBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475300318 502124498 /nfs/dbraw/zinc/12/44/98/502124498.db2.gz ISHNAWNRKUYBKJ-SFHVURJKSA-N 0 3 353.422 3.250 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(S(C)(=O)=O)cc1 ZINC000468641140 502133686 /nfs/dbraw/zinc/13/36/86/502133686.db2.gz CVRUUGNKBIOYMV-GXDHUFHOSA-N 0 3 360.435 3.191 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(CS(C)(=O)=O)c1 ZINC000468644011 502134959 /nfs/dbraw/zinc/13/49/59/502134959.db2.gz WSDZFBORGLHEOX-DHDCSXOGSA-N 0 3 374.462 3.333 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596191912 506301587 /nfs/dbraw/zinc/30/15/87/506301587.db2.gz BZKXVAGFDDZNLD-IXDOHACOSA-N 0 3 368.437 3.408 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596191912 506301593 /nfs/dbraw/zinc/30/15/93/506301593.db2.gz BZKXVAGFDDZNLD-IXDOHACOSA-N 0 3 368.437 3.408 20 5 FGBDHN Cc1cc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461955976 502252119 /nfs/dbraw/zinc/25/21/19/502252119.db2.gz JFPVDHOHCZNCSR-IBGZPJMESA-N 0 3 359.401 3.091 20 5 FGBDHN COc1ccc(CN2CC[C@H]2CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000599067716 506307815 /nfs/dbraw/zinc/30/78/15/506307815.db2.gz HZFPEUXEHXHJCK-JXFKEZNVSA-N 0 3 367.449 3.455 20 5 FGBDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409411 502379808 /nfs/dbraw/zinc/37/98/08/502379808.db2.gz QMBIIDDAZRKVRY-UYAOXDASSA-N 0 3 374.412 3.137 20 5 FGBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000479799178 502380814 /nfs/dbraw/zinc/38/08/14/502380814.db2.gz ADHUHLIMRQVSHL-AWEZNQCLSA-N 0 3 360.458 3.163 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(N3CCCC3)nc2)n1 ZINC000472615948 502401050 /nfs/dbraw/zinc/40/10/50/502401050.db2.gz ZSVAEHYORPTBDO-SJORKVTESA-N 0 3 370.457 3.060 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000479905747 502414777 /nfs/dbraw/zinc/41/47/77/502414777.db2.gz TUMFQBIYVUYWRY-MRXNPFEDSA-N 0 3 355.438 3.278 20 5 FGBDHN Cc1c(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000466011291 502453221 /nfs/dbraw/zinc/45/32/21/502453221.db2.gz PHPFFEMJLCBNIW-UHFFFAOYSA-N 0 3 368.437 3.124 20 5 FGBDHN CCOc1ccc([C@@H](C)NCC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599081436 506314527 /nfs/dbraw/zinc/31/45/27/506314527.db2.gz KZNROKCJQMPZEX-CQSZACIVSA-N 0 3 363.458 3.293 20 5 FGBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1cccc(C(F)(F)F)c1 ZINC000469560918 502461970 /nfs/dbraw/zinc/46/19/70/502461970.db2.gz TYDZWZNEHNXBIR-LBPRGKRZSA-N 0 3 357.336 3.062 20 5 FGBDHN C[C@@H](CN(C)CCn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739869 502526632 /nfs/dbraw/zinc/52/66/32/502526632.db2.gz QUBLYBBXJRDPQF-NSHDSACASA-N 0 3 373.240 3.497 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000602835153 506320269 /nfs/dbraw/zinc/32/02/69/506320269.db2.gz YIGHAPPDBFOYQQ-UHFFFAOYSA-N 0 3 373.388 3.260 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000466476250 502580698 /nfs/dbraw/zinc/58/06/98/502580698.db2.gz YBRVMNTZCUVJMD-HNAYVOBHSA-N 0 3 353.422 3.182 20 5 FGBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@@H]1N(C)C ZINC000473511070 502617192 /nfs/dbraw/zinc/61/71/92/502617192.db2.gz GZKSCVQNBFVZOZ-UONOGXRCSA-N 0 3 374.304 3.148 20 5 FGBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)C[C@H]1N(C)C ZINC000473511072 502617206 /nfs/dbraw/zinc/61/72/06/502617206.db2.gz GZKSCVQNBFVZOZ-ZIAGYGMSSA-N 0 3 374.304 3.148 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000484492928 502654337 /nfs/dbraw/zinc/65/43/37/502654337.db2.gz VBLMLMGYYUCSPA-GOSISDBHSA-N 0 3 372.425 3.336 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000470165606 502689824 /nfs/dbraw/zinc/68/98/24/502689824.db2.gz MWWMMTDDIRQKAJ-HXUWFJFHSA-N 0 3 369.465 3.410 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCCC2)CC1 ZINC000470169243 502691146 /nfs/dbraw/zinc/69/11/46/502691146.db2.gz CKQRMNUSAQCNRM-SSZFMOIBSA-N 0 3 357.454 3.333 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CC2CCOCC2)CC1 ZINC000470170367 502691596 /nfs/dbraw/zinc/69/15/96/502691596.db2.gz SYAZEJKBRGOYET-LGMDPLHJSA-N 0 3 359.470 3.042 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000470170221 502692247 /nfs/dbraw/zinc/69/22/47/502692247.db2.gz QNEKPZXYSBFCNZ-JBXOJTMHSA-N 0 3 367.453 3.415 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000470181931 502698537 /nfs/dbraw/zinc/69/85/37/502698537.db2.gz HISWWEDUZHIABE-GANRHZMWSA-N 0 3 359.470 3.482 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514974 502739006 /nfs/dbraw/zinc/73/90/06/502739006.db2.gz KLTOYOGWKQAGRA-DNVCBOLYSA-N 0 3 353.422 3.235 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488518002 502739316 /nfs/dbraw/zinc/73/93/16/502739316.db2.gz PIOBNLUKPDSCOV-CJNGLKHVSA-N 0 3 359.451 3.297 20 5 FGBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477470492 502781938 /nfs/dbraw/zinc/78/19/38/502781938.db2.gz ZSUFJMURPODXIO-UHFFFAOYSA-N 0 3 365.449 3.247 20 5 FGBDHN C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H](c1ccccc1)N(C)C ZINC000505576177 502939810 /nfs/dbraw/zinc/93/98/10/502939810.db2.gz WTWXQGXULWFDBL-YJYMSZOUSA-N 0 3 366.421 3.497 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000593023947 506343088 /nfs/dbraw/zinc/34/30/88/506343088.db2.gz HYBSUEOTBPHVID-BLLLJJGKSA-N 0 3 356.378 3.036 20 5 FGBDHN COc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000490109915 503110529 /nfs/dbraw/zinc/11/05/29/503110529.db2.gz XORZULRLJZKDFQ-CHWSQXEVSA-N 0 3 355.410 3.044 20 5 FGBDHN CN(C)CCOC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514211372 503114047 /nfs/dbraw/zinc/11/40/47/503114047.db2.gz REIYHFWDQJNCRV-UHFFFAOYSA-N 0 3 361.364 3.161 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000510542110 503139072 /nfs/dbraw/zinc/13/90/72/503139072.db2.gz XHANWEMTCGHSSI-ACJLOTCBSA-N 0 3 359.401 3.464 20 5 FGBDHN CN(C)C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)c(Cl)c1 ZINC000599172866 506359054 /nfs/dbraw/zinc/35/90/54/506359054.db2.gz VEKTUYYYWIBOQB-GFCCVEGCSA-N 0 3 358.229 3.350 20 5 FGBDHN CCC[C@H](NCCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000510996096 503232411 /nfs/dbraw/zinc/23/24/11/503232411.db2.gz GCCKFBKKFCDOQE-SFHVURJKSA-N 0 3 366.425 3.244 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000507299780 503273207 /nfs/dbraw/zinc/27/32/07/503273207.db2.gz CPCFBVUCIYRZPG-QWHCGFSZSA-N 0 3 363.483 3.452 20 5 FGBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2)CC1 ZINC000491444072 503307686 /nfs/dbraw/zinc/30/76/86/503307686.db2.gz JJKCCOFHNCFKEE-KRWDZBQOSA-N 0 3 356.426 3.126 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000511584512 503348669 /nfs/dbraw/zinc/34/86/69/503348669.db2.gz IROMTBFAIFHBSL-OAHLLOKOSA-N 0 3 370.331 3.431 20 5 FGBDHN COc1cc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492911797 503392741 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/nfs/dbraw/zinc/61/74/03/506617403.db2.gz LNODUFCZHGWVCN-UHFFFAOYSA-N 0 3 353.378 3.333 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214985 506654209 /nfs/dbraw/zinc/65/42/09/506654209.db2.gz WXBUMVOTDYEGNT-GOSISDBHSA-N 0 3 361.486 3.405 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000589938990 506682797 /nfs/dbraw/zinc/68/27/97/506682797.db2.gz KYBFIVAFYKYBHX-TVQRCGJNSA-N 0 3 370.274 3.132 20 5 FGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCC(=O)N(C)C1 ZINC000600179047 506824881 /nfs/dbraw/zinc/82/48/81/506824881.db2.gz SAFVBPTZFLZEIO-OAHLLOKOSA-N 0 3 359.451 3.376 20 5 FGBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]2N1 ZINC000597204389 506834111 /nfs/dbraw/zinc/83/41/11/506834111.db2.gz AVWCYSQWYLARBZ-CJNGLKHVSA-N 0 3 371.462 3.424 20 5 FGBDHN COc1ccc(C2(NCc3ccc(OC)c([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000609358212 506864833 /nfs/dbraw/zinc/86/48/33/506864833.db2.gz SCFCEWUFJWMDSE-UHFFFAOYSA-N 0 3 372.421 3.408 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OC2CCC2)C1 ZINC000594026338 506892586 /nfs/dbraw/zinc/89/25/86/506892586.db2.gz JLNAAJXEKSALSU-QGZVFWFLSA-N 0 3 361.442 3.265 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609530438 506911193 /nfs/dbraw/zinc/91/11/93/506911193.db2.gz RLMVDWYQRQGZQP-OAHLLOKOSA-N 0 3 374.466 3.323 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000590778720 506950473 /nfs/dbraw/zinc/95/04/73/506950473.db2.gz XBLMNXNTUVLFME-KBPBESRZSA-N 0 3 360.435 3.125 20 5 FGBDHN C[C@H]1CN2CCCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767151 506993684 /nfs/dbraw/zinc/99/36/84/506993684.db2.gz QEOSAIXTFJBYLE-YJBOKZPZSA-N 0 3 370.453 3.351 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195714 506999242 /nfs/dbraw/zinc/99/92/42/506999242.db2.gz HQUFSSOVHRMTRI-LSDHHAIUSA-N 0 3 371.359 3.360 20 5 FGBDHN CCc1ccc([C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N(C)C)cc1 ZINC000609849925 507023542 /nfs/dbraw/zinc/02/35/42/507023542.db2.gz ZGMNKZKIDKCBHU-IBGZPJMESA-N 0 3 365.437 3.237 20 5 FGBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916225 507048649 /nfs/dbraw/zinc/04/86/49/507048649.db2.gz FMZZIYIZHKEKBI-SIXWZSSISA-N 0 3 374.412 3.352 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597858858 507137894 /nfs/dbraw/zinc/13/78/94/507137894.db2.gz PRHSDJQHEWTRMW-ZDUSSCGKSA-N 0 3 351.472 3.309 20 5 FGBDHN Cc1sc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296440 507182441 /nfs/dbraw/zinc/18/24/41/507182441.db2.gz CWSWQGSPQBYDMU-OAHLLOKOSA-N 0 3 359.451 3.311 20 5 FGBDHN NCc1cccc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000591309718 507195697 /nfs/dbraw/zinc/19/56/97/507195697.db2.gz ASYFGFNMYRXVAA-INIZCTEOSA-N 0 3 354.410 3.465 20 5 FGBDHN COC(=O)c1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000594607870 507208679 /nfs/dbraw/zinc/20/86/79/507208679.db2.gz VWLMKPMCRXHRRI-UHFFFAOYSA-N 0 3 352.774 3.269 20 5 FGBDHN NC(=O)Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000591348250 507213751 /nfs/dbraw/zinc/21/37/51/507213751.db2.gz QZTQGHHYQQXTKZ-IBGZPJMESA-N 0 3 353.422 3.180 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccco1 ZINC000584311369 507272242 /nfs/dbraw/zinc/27/22/42/507272242.db2.gz HCKXAGIIKQJOPV-OCCSQVGLSA-N 0 3 361.398 3.056 20 5 FGBDHN Cc1cc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000598194817 507306565 /nfs/dbraw/zinc/30/65/65/507306565.db2.gz IZTBCSPEQKKPEG-LJQANCHMSA-N 0 3 367.449 3.292 20 5 FGBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CCCCC2)C1 ZINC000598218023 507322016 /nfs/dbraw/zinc/32/20/16/507322016.db2.gz CKUWGEJNMLKPKQ-INIZCTEOSA-N 0 3 373.453 3.081 20 5 FGBDHN CC[C@H](COCC1CC1)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594957572 507331335 /nfs/dbraw/zinc/33/13/35/507331335.db2.gz SYSHZAILUXITKS-QGZVFWFLSA-N 0 3 358.442 3.290 20 5 FGBDHN COc1cc(CNCC2(O)CCC(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000594991478 507344894 /nfs/dbraw/zinc/34/48/94/507344894.db2.gz IEJBWBJTPJEWGG-UHFFFAOYSA-N 0 3 352.431 3.033 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000594993223 507345091 /nfs/dbraw/zinc/34/50/91/507345091.db2.gz BIWWGHUQMZZAFI-IAGOWNOFSA-N 0 3 370.405 3.182 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCC(F)(F)CC2)c1 ZINC000595001254 507348815 /nfs/dbraw/zinc/34/88/15/507348815.db2.gz SZYMDUXVUVDIRA-UHFFFAOYSA-N 0 3 366.311 3.226 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601390547 507353489 /nfs/dbraw/zinc/35/34/89/507353489.db2.gz GXRYBBPAMCMNSV-OAHLLOKOSA-N 0 3 359.470 3.205 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCc1nnc2n1CCCCC2 ZINC000595035528 507361901 /nfs/dbraw/zinc/36/19/01/507361901.db2.gz JEQTZMGCSGDHND-AWEZNQCLSA-N 0 3 373.457 3.205 20 5 FGBDHN CCC[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595104446 507394938 /nfs/dbraw/zinc/39/49/38/507394938.db2.gz QKVFJJFHGGTNOZ-ROUUACIJSA-N 0 3 360.458 3.316 20 5 FGBDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601620208 507403943 /nfs/dbraw/zinc/40/39/43/507403943.db2.gz HSYSFDLOHSGYTQ-ZDUSSCGKSA-N 0 3 357.410 3.407 20 5 FGBDHN COc1cc(CN(C)C)ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000601622148 507405800 /nfs/dbraw/zinc/40/58/00/507405800.db2.gz RURLIINIDNWAMK-UHFFFAOYSA-N 0 3 357.410 3.236 20 5 FGBDHN CC(C)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC=CC1 ZINC000592179315 507525776 /nfs/dbraw/zinc/52/57/76/507525776.db2.gz OQQASULALYORPV-QGZVFWFLSA-N 0 3 372.425 3.088 20 5 FGBDHN CN1CCO[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]21 ZINC000585767638 507622883 /nfs/dbraw/zinc/62/28/83/507622883.db2.gz XREZOFLOWIGMEU-MSOLQXFVSA-N 0 3 373.478 3.228 20 5 FGBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595707368 507642428 /nfs/dbraw/zinc/64/24/28/507642428.db2.gz MUHXMTKVNGJXAI-VEVIJQCQSA-N 0 3 369.421 3.248 20 5 FGBDHN O=C(N1CCCC1)N1CCC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000586795073 507674495 /nfs/dbraw/zinc/67/44/95/507674495.db2.gz ORHVKNMIAKWZHF-LPHOPBHVSA-N 0 3 372.469 3.242 20 5 FGBDHN Cc1ccc(CN2CC[C@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592523798 507694849 /nfs/dbraw/zinc/69/48/49/507694849.db2.gz QJPVZMMZBAKSBS-SFHVURJKSA-N 0 3 353.422 3.042 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000611516476 507716190 /nfs/dbraw/zinc/71/61/90/507716190.db2.gz RSJNEIYYGWCAIL-MRXNPFEDSA-N 0 3 367.449 3.483 20 5 FGBDHN Cc1ncc2c(n1)CC[C@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602509863 507731195 /nfs/dbraw/zinc/73/11/95/507731195.db2.gz VJAMKSRDHYQMEH-AWEZNQCLSA-N 0 3 366.343 3.359 20 5 FGBDHN CC1(C)[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)[C@H]2CCO[C@@H]21 ZINC000602560382 507749156 /nfs/dbraw/zinc/74/91/56/507749156.db2.gz TYFNFWTURWQOFW-IEBDPFPHSA-N 0 3 361.261 3.322 20 5 FGBDHN O=[N+]([O-])c1sc(CNC[C@@H](CO)c2ccccc2)cc1Br ZINC000602561777 507749575 /nfs/dbraw/zinc/74/95/75/507749575.db2.gz FTZXPOCCCHEVHU-NSHDSACASA-N 0 3 371.256 3.285 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000138033867 704872141 /nfs/dbraw/zinc/87/21/41/704872141.db2.gz XGNJPZWGQTVVOS-HNNXBMFYSA-N 0 3 361.829 3.151 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccsc1 ZINC000195156061 713547118 /nfs/dbraw/zinc/54/71/18/713547118.db2.gz AYPWSPYUWNGRSJ-MRXNPFEDSA-N 0 3 362.455 3.051 20 5 FGBDHN COCCN1CCC[C@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804439269 724517158 /nfs/dbraw/zinc/51/71/58/724517158.db2.gz VTKWXYUNHVUTHT-LBPRGKRZSA-N 0 3 372.263 3.188 20 5 FGBDHN CCc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330851 719244359 /nfs/dbraw/zinc/24/43/59/719244359.db2.gz WNYYBWMGUFIHNX-KGLIPLIRSA-N 0 3 355.442 3.143 20 5 FGBDHN COC[C@@H](C)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000783557242 724765218 /nfs/dbraw/zinc/76/52/18/724765218.db2.gz WIKNZZKLIUFTNA-LBPRGKRZSA-N 0 3 361.364 3.018 20 5 FGBDHN Cc1cccc(C)c1OC[C@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597527 724770214 /nfs/dbraw/zinc/77/02/14/724770214.db2.gz MSRXZPUFTDZRAM-OAHLLOKOSA-N 0 3 364.829 3.395 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN(C3CCCC3)CC2)nn1 ZINC001165031532 721861101 /nfs/dbraw/zinc/86/11/01/721861101.db2.gz BDFYPSKPJAZZJQ-UHFFFAOYSA-N 0 3 353.426 3.116 20 5 FGBDHN CC(C)CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000728299339 722450967 /nfs/dbraw/zinc/45/09/67/722450967.db2.gz GGRMTWDPJUIYDL-UHFFFAOYSA-N 0 3 356.264 3.131 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1CCN(CC(F)(F)F)CC1 ZINC000740004198 722534726 /nfs/dbraw/zinc/53/47/26/722534726.db2.gz IIUZUYVSUGUQCW-UHFFFAOYSA-N 0 3 351.756 3.365 20 5 FGBDHN COCC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000755929113 722958663 /nfs/dbraw/zinc/95/86/63/722958663.db2.gz AQKBWOULMNUUGU-GFCCVEGCSA-N 0 3 361.364 3.161 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790965635 723200212 /nfs/dbraw/zinc/20/02/12/723200212.db2.gz OGTGLJSTBOLGFS-UHFFFAOYSA-N 0 3 371.840 3.168 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000776202626 724118478 /nfs/dbraw/zinc/11/84/78/724118478.db2.gz MOHXVBYIXHHOAB-CQSZACIVSA-N 0 3 358.467 3.402 20 5 FGBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000813102111 726838945 /nfs/dbraw/zinc/83/89/45/726838945.db2.gz BIDAFIJPYYHTLU-SECBINFHSA-N 0 3 357.288 3.022 20 5 FGBDHN CC(COC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813108303 726839903 /nfs/dbraw/zinc/83/99/03/726839903.db2.gz DBKBATBOLQUBGB-LBPRGKRZSA-N 0 3 352.387 3.175 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813438860 726876439 /nfs/dbraw/zinc/87/64/39/726876439.db2.gz WFTJFZZMGSFVLT-UHFFFAOYSA-N 0 3 360.241 3.458 20 5 FGBDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]21 ZINC000814172709 726944590 /nfs/dbraw/zinc/94/45/90/726944590.db2.gz ADMYWRGBXAVNMO-HALDLXJZSA-N 0 3 358.419 3.174 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000822664124 729207025 /nfs/dbraw/zinc/20/70/25/729207025.db2.gz XUMUEBVZGYQFDO-NSHDSACASA-N 0 3 359.348 3.218 20 5 FGBDHN CC([C@@H](OC(=O)c1scc2c1OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737792 731085802 /nfs/dbraw/zinc/08/58/02/731085802.db2.gz VZPVLFPKJXEICB-TVQRCGJNSA-N 0 3 367.354 3.222 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927036588 759879209 /nfs/dbraw/zinc/87/92/09/759879209.db2.gz DFDWXRLXCHWWRU-CRMUJIHISA-N 0 3 370.496 3.076 20 5 FGBDHN COC1([C@H](C)NCc2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000930755438 760687513 /nfs/dbraw/zinc/68/75/13/760687513.db2.gz GQOQUGNZZMPFON-NSHDSACASA-N 0 3 373.247 3.031 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(CCc2ccccc2)CC1 ZINC000075802063 493779488 /nfs/dbraw/zinc/77/94/88/493779488.db2.gz KRVRHDTWNIZIJN-UHFFFAOYSA-N 0 3 368.437 3.423 20 5 FGBDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031096596 493923724 /nfs/dbraw/zinc/92/37/24/493923724.db2.gz CQUUWKJWLXSGJK-UHFFFAOYSA-N 0 3 364.471 3.078 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087168849 494179471 /nfs/dbraw/zinc/17/94/71/494179471.db2.gz JYIKBTFSRGKEKX-LPHOPBHVSA-N 0 3 367.449 3.479 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1 ZINC000042929475 494252585 /nfs/dbraw/zinc/25/25/85/494252585.db2.gz KELPYHDGXYJLGC-UHFFFAOYSA-N 0 3 368.437 3.059 20 5 FGBDHN COc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000078265502 494266202 /nfs/dbraw/zinc/26/62/02/494266202.db2.gz CRYBMVXYWGTIJY-YOEHRIQHSA-N 0 3 356.426 3.321 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCCn2ccnc2)cc1[N+](=O)[O-] ZINC000078421126 494294849 /nfs/dbraw/zinc/29/48/49/494294849.db2.gz TYBGVOLSVDZQCW-UHFFFAOYSA-N 0 3 351.410 3.349 20 5 FGBDHN Cn1cc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(F)(F)F)n1 ZINC000090666238 494492109 /nfs/dbraw/zinc/49/21/09/494492109.db2.gz SBUZPTFYJMJLKO-AWEZNQCLSA-N 0 3 368.359 3.458 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000079969811 494560710 /nfs/dbraw/zinc/56/07/10/494560710.db2.gz JHGHNRACUXOWIH-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000023356050 494562028 /nfs/dbraw/zinc/56/20/28/494562028.db2.gz MOMXFMRBJQHMGT-IUODEOHRSA-N 0 3 366.364 3.306 20 5 FGBDHN CC(C)CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091964109 494738960 /nfs/dbraw/zinc/73/89/60/494738960.db2.gz RTFGWJKFCUJYOD-SFHVURJKSA-N 0 3 358.442 3.242 20 5 FGBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000068134309 494774043 /nfs/dbraw/zinc/77/40/43/494774043.db2.gz ZSDALGVKWWKQPP-AWEZNQCLSA-N 0 3 351.834 3.339 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075684835 494816024 /nfs/dbraw/zinc/81/60/24/494816024.db2.gz QEWAAKDPGAVVAI-BBWFWOEESA-N 0 3 361.486 3.477 20 5 FGBDHN Cc1ccccc1OCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026337197 494819469 /nfs/dbraw/zinc/81/94/69/494819469.db2.gz DSRXWQZJRAGJBR-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OCCN2CCCC2)cc1 ZINC000126840971 494847928 /nfs/dbraw/zinc/84/79/28/494847928.db2.gz JWYNCKCNSUTREW-UHFFFAOYSA-N 0 3 369.421 3.346 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000109276319 494853641 /nfs/dbraw/zinc/85/36/41/494853641.db2.gz QHZYBOBNKNLDEL-ZDUSSCGKSA-N 0 3 356.426 3.157 20 5 FGBDHN CCc1nc2ccccc2n1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000093299408 494862816 /nfs/dbraw/zinc/86/28/16/494862816.db2.gz SCWDWMGFMWYJFD-UHFFFAOYSA-N 0 3 368.441 3.041 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000132540202 494890042 /nfs/dbraw/zinc/89/00/42/494890042.db2.gz ILXFMHOHEGKBFN-GXFFZTMASA-N 0 3 359.348 3.168 20 5 FGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133018324 494956875 /nfs/dbraw/zinc/95/68/75/494956875.db2.gz JBRMZYYVCVGLEB-ZIAGYGMSSA-N 0 3 371.359 3.312 20 5 FGBDHN Cc1c([C@@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000133710321 495050644 /nfs/dbraw/zinc/05/06/44/495050644.db2.gz OWRMVYRWBONPOH-CHWSQXEVSA-N 0 3 366.364 3.272 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000128937710 495171533 /nfs/dbraw/zinc/17/15/33/495171533.db2.gz LSAKRYZPNMOEGF-HOTGVXAUSA-N 0 3 362.474 3.014 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000103600544 495248903 /nfs/dbraw/zinc/24/89/03/495248903.db2.gz UQSTTYZMPKTYFX-UHFFFAOYSA-N 0 3 360.458 3.142 20 5 FGBDHN CSc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000112916086 495256674 /nfs/dbraw/zinc/25/66/74/495256674.db2.gz HTHHVTATVWRAKC-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN O=C(CN[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000124720533 495332611 /nfs/dbraw/zinc/33/26/11/495332611.db2.gz SNBALUDCDAVFCY-UONOGXRCSA-N 0 3 371.359 3.195 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000120256766 495337680 /nfs/dbraw/zinc/33/76/80/495337680.db2.gz LLJFANGBDKKMTP-UHFFFAOYSA-N 0 3 371.441 3.202 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000120516509 495396417 /nfs/dbraw/zinc/39/64/17/495396417.db2.gz WEZUBKNYOPQNAG-MOPGFXCFSA-N 0 3 374.462 3.294 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC[C@@H](C)C1 ZINC000120570131 495407334 /nfs/dbraw/zinc/40/73/34/495407334.db2.gz ZTKNUQFCFNHYNF-CVEARBPZSA-N 0 3 374.485 3.389 20 5 FGBDHN CN(CCc1ccccn1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120809219 495462691 /nfs/dbraw/zinc/46/26/91/495462691.db2.gz DXQQYAGHGZXDSM-UHFFFAOYSA-N 0 3 351.410 3.065 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000143259115 495531869 /nfs/dbraw/zinc/53/18/69/495531869.db2.gz GAFCMPNGXHXKEI-HXUWFJFHSA-N 0 3 367.449 3.399 20 5 FGBDHN C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173508643 495565128 /nfs/dbraw/zinc/56/51/28/495565128.db2.gz FBIDFIUAWGUTKS-QGZVFWFLSA-N 0 3 367.449 3.260 20 5 FGBDHN COc1cc(C)c([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179627098 495667109 /nfs/dbraw/zinc/66/71/09/495667109.db2.gz AMFZKFPSBBAGGJ-SUMWQHHRSA-N 0 3 360.410 3.305 20 5 FGBDHN CN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000180119755 495866355 /nfs/dbraw/zinc/86/63/55/495866355.db2.gz AXBPXOSGNQNRCC-HKUYNNGSSA-N 0 3 373.840 3.352 20 5 FGBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000171454046 495881524 /nfs/dbraw/zinc/88/15/24/495881524.db2.gz PULYDSVEKISOOK-HNNXBMFYSA-N 0 3 372.450 3.029 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000183242916 495895138 /nfs/dbraw/zinc/89/51/38/495895138.db2.gz DQNVREVNOSVEJU-UHFFFAOYSA-N 0 3 351.410 3.326 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000183242943 495895452 /nfs/dbraw/zinc/89/54/52/495895452.db2.gz CLMJETGEUCEZHP-UHFFFAOYSA-N 0 3 367.449 3.432 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCOCC4(CCOCC4)C3)o2)c1 ZINC000183269772 495908620 /nfs/dbraw/zinc/90/86/20/495908620.db2.gz LKTFMNPNOYJSIU-UHFFFAOYSA-N 0 3 372.421 3.484 20 5 FGBDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183357456 495946216 /nfs/dbraw/zinc/94/62/16/495946216.db2.gz LVSGKXGVFMXQQW-GJZGRUSLSA-N 0 3 353.422 3.266 20 5 FGBDHN C[C@@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180415136 495986815 /nfs/dbraw/zinc/98/68/15/495986815.db2.gz NPUOKMSEFQRVMD-FZKQIMNGSA-N 0 3 364.829 3.477 20 5 FGBDHN Cn1cc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cn1 ZINC000180449476 496000279 /nfs/dbraw/zinc/00/02/79/496000279.db2.gz WOBHWZOSOXCCOB-IBGZPJMESA-N 0 3 354.385 3.389 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183602553 496044003 /nfs/dbraw/zinc/04/40/03/496044003.db2.gz UPNJXOYASBTWTG-UHFFFAOYSA-N 0 3 369.425 3.084 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCCCO[C@@H]2CCOC2)c2ccccc2)c1 ZINC000180754761 496132639 /nfs/dbraw/zinc/13/26/39/496132639.db2.gz MPEZXBKELFOIHX-WOJBJXKFSA-N 0 3 356.422 3.469 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCCCO[C@@H]2CCOC2)c2ccccc2)c1 ZINC000180754739 496132866 /nfs/dbraw/zinc/13/28/66/496132866.db2.gz MPEZXBKELFOIHX-UXHICEINSA-N 0 3 356.422 3.469 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000174947638 496177178 /nfs/dbraw/zinc/17/71/78/496177178.db2.gz UYNHPXZYVKUGMJ-HNNXBMFYSA-N 0 3 359.451 3.250 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCC2(CO)CCOCC2)c2ccccc2)c1 ZINC000180984776 496229620 /nfs/dbraw/zinc/22/96/20/496229620.db2.gz ZNDUIXFNKNEEGO-LJQANCHMSA-N 0 3 356.422 3.063 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(CO)CCOCC2)c2ccccc2)c1 ZINC000180984759 496229666 /nfs/dbraw/zinc/22/96/66/496229666.db2.gz ZNDUIXFNKNEEGO-IBGZPJMESA-N 0 3 356.422 3.063 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000172417270 496289962 /nfs/dbraw/zinc/28/99/62/496289962.db2.gz JOJUVATWDICFDZ-UHFFFAOYSA-N 0 3 363.483 3.407 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2cccnc2)cc1 ZINC000181278115 496336721 /nfs/dbraw/zinc/33/67/21/496336721.db2.gz SLZMTKZYHKXLLX-HNNXBMFYSA-N 0 3 364.405 3.169 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](COc3ccccc3Cl)C2)n1 ZINC000157016245 496386492 /nfs/dbraw/zinc/38/64/92/496386492.db2.gz XIRZIPVXSPCMOX-CQSZACIVSA-N 0 3 364.833 3.236 20 5 FGBDHN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000178539849 496492178 /nfs/dbraw/zinc/49/21/78/496492178.db2.gz BRCALWKWODZVKF-HNAYVOBHSA-N 0 3 355.438 3.370 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000181789863 496545168 /nfs/dbraw/zinc/54/51/68/496545168.db2.gz ABWDZAIAXRQAHQ-LBPRGKRZSA-N 0 3 372.347 3.316 20 5 FGBDHN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163743830 496553496 /nfs/dbraw/zinc/55/34/96/496553496.db2.gz ZLNAYQHDIIIPAC-INIZCTEOSA-N 0 3 355.438 3.278 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000163802168 496559254 /nfs/dbraw/zinc/55/92/54/496559254.db2.gz CWEORHSWFDSRKQ-OAHLLOKOSA-N 0 3 371.437 3.221 20 5 FGBDHN COC[C@H](O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000153740883 496563657 /nfs/dbraw/zinc/56/36/57/496563657.db2.gz VDLNFBOVTANXEU-OAHLLOKOSA-N 0 3 364.373 3.013 20 5 FGBDHN CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC)cc1 ZINC000181831679 496564241 /nfs/dbraw/zinc/56/42/41/496564241.db2.gz YBIDTDYMSBCTLF-MOPGFXCFSA-N 0 3 369.421 3.450 20 5 FGBDHN Cc1cc(NC(=O)NCc2ccccc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000153783309 496579944 /nfs/dbraw/zinc/57/99/44/496579944.db2.gz MYVNXXDFPPILQU-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173393868 496673016 /nfs/dbraw/zinc/67/30/16/496673016.db2.gz BGFTWRUMXNDMLR-INIZCTEOSA-N 0 3 369.465 3.402 20 5 FGBDHN CCC[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166566030 496689517 /nfs/dbraw/zinc/68/95/17/496689517.db2.gz VFMQOPKKXRURNT-LPHOPBHVSA-N 0 3 357.458 3.428 20 5 FGBDHN COc1ccc([C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000182197611 496704733 /nfs/dbraw/zinc/70/47/33/496704733.db2.gz KLFNZQCFIUVINZ-UZLBHIALSA-N 0 3 374.437 3.330 20 5 FGBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182305967 496728867 /nfs/dbraw/zinc/72/88/67/496728867.db2.gz FESFKEUUDWJJHL-GFCCVEGCSA-N 0 3 357.366 3.003 20 5 FGBDHN CCNC(=O)COc1cccc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000268772057 496779389 /nfs/dbraw/zinc/77/93/89/496779389.db2.gz FMMPMVVVDFNTJV-LJQANCHMSA-N 0 3 371.437 3.351 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247123371 496786191 /nfs/dbraw/zinc/78/61/91/496786191.db2.gz MUALDDGUACNBIA-WFASDCNBSA-N 0 3 359.451 3.366 20 5 FGBDHN CCc1nn(C)c(Nc2ccc(N3CCN(CC)CC3)cc2C)c1[N+](=O)[O-] ZINC000580912761 505866871 /nfs/dbraw/zinc/86/68/71/505866871.db2.gz AWEHCFQBNZRKPD-UHFFFAOYSA-N 0 3 372.473 3.085 20 5 FGBDHN COc1ccc(OCCN2CCC(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000191650800 496845640 /nfs/dbraw/zinc/84/56/40/496845640.db2.gz YEZKFXCCSDXRPH-UHFFFAOYSA-N 0 3 357.410 3.257 20 5 FGBDHN COc1ccc(CNC[C@](C)(Cc2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000191722025 496866919 /nfs/dbraw/zinc/86/69/19/496866919.db2.gz UGTQNWFSUXXFBW-YWZLYKJASA-N 0 3 358.438 3.323 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000269327308 496919981 /nfs/dbraw/zinc/91/99/81/496919981.db2.gz GZWTUIXSOXCZBF-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN CN1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccccc1 ZINC000247923236 496928176 /nfs/dbraw/zinc/92/81/76/496928176.db2.gz CEWHQPXPILOHJE-RTBURBONSA-N 0 3 364.405 3.251 20 5 FGBDHN Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248144028 496962590 /nfs/dbraw/zinc/96/25/90/496962590.db2.gz ZCLSJXCRYIDHBI-AEFFLSMTSA-N 0 3 354.410 3.470 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248374177 496986357 /nfs/dbraw/zinc/98/63/57/496986357.db2.gz OIVTYFCVDNSXKG-DGCLKSJQSA-N 0 3 371.890 3.139 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248687346 497079883 /nfs/dbraw/zinc/07/98/83/497079883.db2.gz AQFDGFPIRRZYFG-WBVHZDCISA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000248729778 497091575 /nfs/dbraw/zinc/09/15/75/497091575.db2.gz DCHWMYWOITZGLD-OXQOHEQNSA-N 0 3 367.449 3.164 20 5 FGBDHN Cc1cccc(OC[C@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192730390 497198040 /nfs/dbraw/zinc/19/80/40/497198040.db2.gz RBKWHZCWPWOIBV-YLJYHZDGSA-N 0 3 356.422 3.310 20 5 FGBDHN CC(=O)NCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271152221 497274893 /nfs/dbraw/zinc/27/48/93/497274893.db2.gz UXIBNVMDSVTUTR-UHFFFAOYSA-N 0 3 357.410 3.203 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCCO)o2)c(Br)c1 ZINC000193252563 497334270 /nfs/dbraw/zinc/33/42/70/497334270.db2.gz RTKOWWKFMTZCKR-UHFFFAOYSA-N 0 3 369.215 3.479 20 5 FGBDHN CSc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255958221 497379990 /nfs/dbraw/zinc/37/99/90/497379990.db2.gz UQGMZFAASXJUOV-MELADBBJSA-N 0 3 365.499 3.413 20 5 FGBDHN CC[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000267285808 497517445 /nfs/dbraw/zinc/51/74/45/497517445.db2.gz PYRDQNRBVAENDL-KRWDZBQOSA-N 0 3 363.439 3.207 20 5 FGBDHN CCOC(=O)C1CCC(O)(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000191038104 497690203 /nfs/dbraw/zinc/69/02/03/497690203.db2.gz HTCJBHHRZAHMLL-XVTSOASTSA-N 0 3 364.442 3.038 20 5 FGBDHN Cn1cc(CN2CCC[C@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239350 498031234 /nfs/dbraw/zinc/03/12/34/498031234.db2.gz SKMLBNHZWLWDPF-ROUUACIJSA-N 0 3 356.426 3.139 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000364623426 498055840 /nfs/dbraw/zinc/05/58/40/498055840.db2.gz GKYWDALBBNIKSA-CXAGYDPISA-N 0 3 359.451 3.388 20 5 FGBDHN COc1cc(NCC2(N3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000301381110 498084587 /nfs/dbraw/zinc/08/45/87/498084587.db2.gz UNRNSOKJTKPLFZ-UHFFFAOYSA-N 0 3 351.472 3.377 20 5 FGBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301524417 498148935 /nfs/dbraw/zinc/14/89/35/498148935.db2.gz MNQNXLAMHIRKHL-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000301588565 498176847 /nfs/dbraw/zinc/17/68/47/498176847.db2.gz XPDXYYMSVFPEGI-UHFFFAOYSA-N 0 3 354.454 3.263 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000301595442 498179181 /nfs/dbraw/zinc/17/91/81/498179181.db2.gz ZAFSANTXIBUWCZ-HZPDHXFCSA-N 0 3 362.474 3.014 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCCc2ccc(F)cc21 ZINC000569686129 505993375 /nfs/dbraw/zinc/99/33/75/505993375.db2.gz BMYOKRPIDXRTRQ-WBVHZDCISA-N 0 3 360.385 3.141 20 5 FGBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000331231976 498281061 /nfs/dbraw/zinc/28/10/61/498281061.db2.gz JCUVIXYNATZRSD-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccccc1 ZINC000301825792 498281744 /nfs/dbraw/zinc/28/17/44/498281744.db2.gz DWYIDZRMRCWHHT-MGPUTAFESA-N 0 3 366.421 3.337 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000281884161 498305016 /nfs/dbraw/zinc/30/50/16/498305016.db2.gz GNPKBUGPOJJGTD-ZDUSSCGKSA-N 0 3 364.446 3.188 20 5 FGBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCN(Cc4cccs4)C3)nn21 ZINC000301958506 498344266 /nfs/dbraw/zinc/34/42/66/498344266.db2.gz GNNUVEJKTJVSMN-ZDUSSCGKSA-N 0 3 372.454 3.023 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286271497 498346311 /nfs/dbraw/zinc/34/63/11/498346311.db2.gz OKPWXTIDUDDKJB-IBGZPJMESA-N 0 3 371.462 3.395 20 5 FGBDHN Cc1cc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301985453 498356637 /nfs/dbraw/zinc/35/66/37/498356637.db2.gz SXZFOFRLJNHMQX-MJGOQNOKSA-N 0 3 355.438 3.198 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@@H]1CCCN(C)C1 ZINC000302154339 498420052 /nfs/dbraw/zinc/42/00/52/498420052.db2.gz DGLSCQLZKDJXBV-MRXNPFEDSA-N 0 3 356.426 3.099 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(c2nccs2)CC1 ZINC000282222120 498428493 /nfs/dbraw/zinc/42/84/93/498428493.db2.gz MUFMZRRIECPIOA-UHFFFAOYSA-N 0 3 362.455 3.209 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293637266 498436535 /nfs/dbraw/zinc/43/65/35/498436535.db2.gz LXNSQBKFENOWLA-DGCLKSJQSA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)CN(C)C ZINC000293646283 498440581 /nfs/dbraw/zinc/44/05/81/498440581.db2.gz DTMJKEGBNVMYMT-LLVKDONJSA-N 0 3 373.403 3.299 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598374 498505963 /nfs/dbraw/zinc/50/59/63/498505963.db2.gz HAAGWGHYWBZUIQ-YGRLFVJLSA-N 0 3 359.348 3.026 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000294087748 498584464 /nfs/dbraw/zinc/58/44/64/498584464.db2.gz KAEKRWJSXAUXHW-SFHVURJKSA-N 0 3 359.451 3.367 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000294310891 498652769 /nfs/dbraw/zinc/65/27/69/498652769.db2.gz WKPNEQZGTXTMOT-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN C[C@@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000310797306 498747572 /nfs/dbraw/zinc/74/75/72/498747572.db2.gz SFEXEWSAAJANIH-TZMCWYRMSA-N 0 3 357.439 3.379 20 5 FGBDHN COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1OC ZINC000570078971 506084944 /nfs/dbraw/zinc/08/49/44/506084944.db2.gz GSWKODKZJJMGGC-OAHLLOKOSA-N 0 3 372.425 3.002 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000312321942 498758268 /nfs/dbraw/zinc/75/82/68/498758268.db2.gz RYSKJGWDPOPCKO-RHSMWYFYSA-N 0 3 368.437 3.029 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092931 498906838 /nfs/dbraw/zinc/90/68/38/498906838.db2.gz GFCHYPOXSKMDBE-MAUKXSAKSA-N 0 3 370.453 3.286 20 5 FGBDHN COc1cc(C[NH2+]C[C@@H]2CCCc3sc(C)nc32)c([N+](=O)[O-])cc1[O-] ZINC000366403646 498910096 /nfs/dbraw/zinc/91/00/96/498910096.db2.gz KRLZNBZSGORNJV-NSHDSACASA-N 0 3 363.439 3.284 20 5 FGBDHN O=C1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C2CC2)N1 ZINC000370285581 499205651 /nfs/dbraw/zinc/20/56/51/499205651.db2.gz OEBDWVZEGJJBDL-BEFAXECRSA-N 0 3 355.394 3.002 20 5 FGBDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000370917300 499270322 /nfs/dbraw/zinc/27/03/22/499270322.db2.gz MITFDRYHNSZOHR-QZTJIDSGSA-N 0 3 357.385 3.081 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2ccncc2)CC1 ZINC000368943726 499349175 /nfs/dbraw/zinc/34/91/75/499349175.db2.gz BCKGQIVMCHSGPW-UHFFFAOYSA-N 0 3 357.370 3.003 20 5 FGBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccncc2)CC1 ZINC000368954344 499350141 /nfs/dbraw/zinc/35/01/41/499350141.db2.gz GRDNAQZFJWFDRP-UHFFFAOYSA-N 0 3 355.398 3.123 20 5 FGBDHN Cc1c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568520 499419467 /nfs/dbraw/zinc/41/94/67/499419467.db2.gz LFKCXXXOZCKJCE-DYVFJYSZSA-N 0 3 359.451 3.388 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000369596603 499424568 /nfs/dbraw/zinc/42/45/68/499424568.db2.gz JQSVNNMYRKNXSN-INMHGKMJSA-N 0 3 364.442 3.128 20 5 FGBDHN Cc1c(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000372439843 499435225 /nfs/dbraw/zinc/43/52/25/499435225.db2.gz NUDAMJZKWIUZST-YJBOKZPZSA-N 0 3 369.425 3.113 20 5 FGBDHN Cc1nc2c(s1)CCC[C@H]2CNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373510320 499474117 /nfs/dbraw/zinc/47/41/17/499474117.db2.gz SISKYTRRMBWYCV-LBPRGKRZSA-N 0 3 362.411 3.478 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCc3ccccc32)cc1 ZINC000570359282 506148754 /nfs/dbraw/zinc/14/87/54/506148754.db2.gz CPWFKQKIHLRDIA-MRXNPFEDSA-N 0 3 374.462 3.078 20 5 FGBDHN Cc1c(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555092 /nfs/dbraw/zinc/55/50/92/499555092.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 0 3 354.454 3.423 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000582198497 506156042 /nfs/dbraw/zinc/15/60/42/506156042.db2.gz CWAVAVGBGAJUNX-CYBMUJFWSA-N 0 3 372.368 3.014 20 5 FGBDHN CN1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1cccnc1 ZINC000377975642 499752569 /nfs/dbraw/zinc/75/25/69/499752569.db2.gz VUMFAOCDBHRUBC-JXFKEZNVSA-N 0 3 363.421 3.065 20 5 FGBDHN COc1cc(CNC[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414518064 499802042 /nfs/dbraw/zinc/80/20/42/499802042.db2.gz ROKNYFNZMJDBFH-WOPDTQHZSA-N 0 3 374.384 3.150 20 5 FGBDHN COc1cc(CN[C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000412017759 499813212 /nfs/dbraw/zinc/81/32/12/499813212.db2.gz DCBVZJQWFNGKEQ-JTQLQIEISA-N 0 3 360.357 3.252 20 5 FGBDHN CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000412224933 499835810 /nfs/dbraw/zinc/83/58/10/499835810.db2.gz VZODHWXKJKWYCW-ZGXWSNOMSA-N 0 3 365.433 3.260 20 5 FGBDHN O=C(Nc1ccc2c(c1)CNC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000415995351 499938940 /nfs/dbraw/zinc/93/89/40/499938940.db2.gz KKDVRFVQPHOGRQ-UHFFFAOYSA-N 0 3 352.394 3.395 20 5 FGBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425004873 499990644 /nfs/dbraw/zinc/99/06/44/499990644.db2.gz KDIBJUKWRJUFDZ-HNAYVOBHSA-N 0 3 369.396 3.080 20 5 FGBDHN CCCN1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000579431894 506171869 /nfs/dbraw/zinc/17/18/69/506171869.db2.gz FLIHNNPMJVOWSP-UHFFFAOYSA-N 0 3 363.461 3.286 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)cc2F)c1 ZINC000413897531 500089648 /nfs/dbraw/zinc/08/96/48/500089648.db2.gz DZRLRBIKRAXHKU-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425432604 500104914 /nfs/dbraw/zinc/10/49/14/500104914.db2.gz LCUGMFNGXDCBRE-VHSXEESVSA-N 0 3 359.220 3.035 20 5 FGBDHN COc1c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000425612614 500160535 /nfs/dbraw/zinc/16/05/35/500160535.db2.gz UXJZAFMMYIGEIP-OAHLLOKOSA-N 0 3 369.421 3.127 20 5 FGBDHN COc1cc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000431696871 500410430 /nfs/dbraw/zinc/41/04/30/500410430.db2.gz MWJSZUGSNPQCCD-FOIQADDNSA-N 0 3 372.421 3.479 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594296 500476018 /nfs/dbraw/zinc/47/60/18/500476018.db2.gz DCHGORIOHNCGBG-YOEHRIQHSA-N 0 3 368.437 3.016 20 5 FGBDHN CCc1ccc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000433069799 500618656 /nfs/dbraw/zinc/61/86/56/500618656.db2.gz WCEVMTKXJUWQQU-RTBURBONSA-N 0 3 370.449 3.386 20 5 FGBDHN CC(C)Oc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447538169 500619980 /nfs/dbraw/zinc/61/99/80/500619980.db2.gz ARDRWCVQPNWZRA-HZPDHXFCSA-N 0 3 359.430 3.247 20 5 FGBDHN CCCCn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)n1 ZINC000447573532 500627534 /nfs/dbraw/zinc/62/75/34/500627534.db2.gz ICCUNACXVSHWQZ-DLBZAZTESA-N 0 3 360.462 3.370 20 5 FGBDHN CN(CCCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000442964390 500654966 /nfs/dbraw/zinc/65/49/66/500654966.db2.gz IIROUMYGLZJTKW-UHFFFAOYSA-N 0 3 366.421 3.262 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCN2CCCC[C@@H]12 ZINC000447817793 500669487 /nfs/dbraw/zinc/66/94/87/500669487.db2.gz SJPKQMYMIIJQOI-KGLIPLIRSA-N 0 3 353.806 3.074 20 5 FGBDHN Cc1sc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437848028 500706408 /nfs/dbraw/zinc/70/64/08/500706408.db2.gz ZXXAFOVHZOUYHX-AWEZNQCLSA-N 0 3 351.472 3.492 20 5 FGBDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443653458 500750211 /nfs/dbraw/zinc/75/02/11/500750211.db2.gz HHEHUUNCFDHEAT-LPHOPBHVSA-N 0 3 357.454 3.345 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443998323 500789056 /nfs/dbraw/zinc/78/90/56/500789056.db2.gz OXYSFCISHVWXRV-ZDUSSCGKSA-N 0 3 368.355 3.261 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3COc4ccc(Cl)cc43)CC2)cn1 ZINC000602571787 506220527 /nfs/dbraw/zinc/22/05/27/506220527.db2.gz XSEIEDBNYHSIEE-INIZCTEOSA-N 0 3 374.828 3.335 20 5 FGBDHN O=C(C[C@H]1CSCCN1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000434877159 500906354 /nfs/dbraw/zinc/90/63/54/500906354.db2.gz NQDOSJUCEJFJKM-AWEZNQCLSA-N 0 3 373.434 3.421 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000449082653 500920476 /nfs/dbraw/zinc/92/04/76/500920476.db2.gz OSRRRIXLBYBVGA-APWZRJJASA-N 0 3 367.449 3.479 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCc2ccccc21 ZINC000449099710 500924858 /nfs/dbraw/zinc/92/48/58/500924858.db2.gz OUNPAIKHSWBSRL-OAHLLOKOSA-N 0 3 353.422 3.095 20 5 FGBDHN COCCn1cc2c(n1)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449243405 500956155 /nfs/dbraw/zinc/95/61/55/500956155.db2.gz KNYMHHKGKRTKTB-PBHICJAKSA-N 0 3 358.442 3.036 20 5 FGBDHN COc1ccc2c(c1)nc(CN[C@@H](C)Cc1ccccc1[N+](=O)[O-])n2C ZINC000449246326 500956791 /nfs/dbraw/zinc/95/67/91/500956791.db2.gz AXRBFAMEWGNANT-ZDUSSCGKSA-N 0 3 354.410 3.211 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449359436 500986357 /nfs/dbraw/zinc/98/63/57/500986357.db2.gz QCHHPANLJNIRFF-IDJPSDCMSA-N 0 3 372.446 3.159 20 5 FGBDHN COc1cc(OC)c(C[C@H](C)NCc2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000449465790 501009627 /nfs/dbraw/zinc/00/96/27/501009627.db2.gz BUXYSMACBPMONY-NSHDSACASA-N 0 3 366.439 3.403 20 5 FGBDHN COC(=O)c1cc(NC[C@H](c2cccs2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440742797 501044521 /nfs/dbraw/zinc/04/45/21/501044521.db2.gz VPOZNLBUIVZFNE-CQSZACIVSA-N 0 3 363.439 3.466 20 5 FGBDHN Cc1cc(C)c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449732889 501071294 /nfs/dbraw/zinc/07/12/94/501071294.db2.gz FANORFLFVCXGCL-UHFFFAOYSA-N 0 3 351.410 3.297 20 5 FGBDHN COC(=O)[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752478 501075223 /nfs/dbraw/zinc/07/52/23/501075223.db2.gz FWBBQEUSCGIHIU-MSOLQXFVSA-N 0 3 354.406 3.292 20 5 FGBDHN CCOC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000441102612 501088523 /nfs/dbraw/zinc/08/85/23/501088523.db2.gz NBECMWZPOGKKPA-LJQANCHMSA-N 0 3 354.406 3.300 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000441373327 501129528 /nfs/dbraw/zinc/12/95/28/501129528.db2.gz DSUUMGTXPVHUIS-AREMUKBSSA-N 0 3 373.478 3.363 20 5 FGBDHN Cc1nc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)ncc1[N+](=O)[O-] ZINC000450525286 501144898 /nfs/dbraw/zinc/14/48/98/501144898.db2.gz BCAKJQSZSKYBQS-QGZVFWFLSA-N 0 3 359.430 3.195 20 5 FGBDHN COc1cc2c(cc1OC)[C@@H](N1CCC(n3ccc([N+](=O)[O-])n3)CC1)CC2 ZINC000602635870 506238785 /nfs/dbraw/zinc/23/87/85/506238785.db2.gz COTFLDKNMZESOQ-INIZCTEOSA-N 0 3 372.425 3.133 20 5 FGBDHN Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000451103578 501245949 /nfs/dbraw/zinc/24/59/49/501245949.db2.gz HYNXJCMKUSRNCB-YJBOKZPZSA-N 0 3 368.437 3.273 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)cc1 ZINC000451335322 501268579 /nfs/dbraw/zinc/26/85/79/501268579.db2.gz CYYRNOALZVXKJF-GVDBMIGSSA-N 0 3 372.425 3.160 20 5 FGBDHN CCC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000451424232 501290080 /nfs/dbraw/zinc/29/00/80/501290080.db2.gz SILIRTXFSDUVTN-HNNXBMFYSA-N 0 3 351.403 3.066 20 5 FGBDHN CC(C)[C@@H](CO)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000451619579 501338013 /nfs/dbraw/zinc/33/80/13/501338013.db2.gz XVHSSNPEKMORNZ-WBVHZDCISA-N 0 3 362.430 3.024 20 5 FGBDHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)cc([N+](=O)[O-])c1 ZINC000458283634 501411649 /nfs/dbraw/zinc/41/16/49/501411649.db2.gz IWYYNIBRNCQMJU-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000458437558 501444414 /nfs/dbraw/zinc/44/44/14/501444414.db2.gz UGRXNFVWIBMNRS-INIZCTEOSA-N 0 3 374.485 3.043 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452169996 501451794 /nfs/dbraw/zinc/45/17/94/501451794.db2.gz HLMRGMCGBZCMIE-WBVHZDCISA-N 0 3 359.470 3.106 20 5 FGBDHN Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000456309386 501494242 /nfs/dbraw/zinc/49/42/42/501494242.db2.gz PSBDWTQVYUSKGP-INIZCTEOSA-N 0 3 367.449 3.497 20 5 FGBDHN COc1cc(NCC2(N3CCCC3)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596113510 506265388 /nfs/dbraw/zinc/26/53/88/506265388.db2.gz DDRAESGUHXZTOC-UHFFFAOYSA-N 0 3 369.849 3.314 20 5 FGBDHN CC1(c2ccccc2)CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459483792 501661714 /nfs/dbraw/zinc/66/17/14/501661714.db2.gz MUSGJNXRUYXAPS-UHFFFAOYSA-N 0 3 374.462 3.078 20 5 FGBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459765905 501711216 /nfs/dbraw/zinc/71/12/16/501711216.db2.gz PHYHUGKGPCNHIV-WKPIXPDZSA-N 0 3 367.833 3.122 20 5 FGBDHN C[C@@H]([NH2+]C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000596126318 506270677 /nfs/dbraw/zinc/27/06/77/506270677.db2.gz JZXAJDMJQPJDEK-CQSZACIVSA-N 0 3 372.425 3.007 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000481385127 501758047 /nfs/dbraw/zinc/75/80/47/501758047.db2.gz WGGYWKGEZGZZTP-ACJLOTCBSA-N 0 3 372.425 3.416 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)nc1-c1ccc(F)cc1 ZINC000485390859 501807428 /nfs/dbraw/zinc/80/74/28/501807428.db2.gz NWNCTBLSIJIIRF-UHFFFAOYSA-N 0 3 356.401 3.257 20 5 FGBDHN Cc1ccc2c(C3=CCN(CCn4ccc([N+](=O)[O-])n4)CC3)c[nH]c2c1 ZINC000478413670 501974060 /nfs/dbraw/zinc/97/40/60/501974060.db2.gz CRPTVHAQLBVNOB-UHFFFAOYSA-N 0 3 351.410 3.370 20 5 FGBDHN COc1c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116941 502065985 /nfs/dbraw/zinc/06/59/85/502065985.db2.gz GQNSVWBMVAXJHT-HOCLYGCPSA-N 0 3 369.421 3.169 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN1C ZINC000475193007 502094733 /nfs/dbraw/zinc/09/47/33/502094733.db2.gz NPUANMYCMDTWOY-SKDRFNHKSA-N 0 3 360.336 3.218 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc2c(c1)C(=O)NCC2 ZINC000468607088 502123031 /nfs/dbraw/zinc/12/30/31/502123031.db2.gz JQKRTOZOKUMVFI-ZROIWOOFSA-N 0 3 351.406 3.074 20 5 FGBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000475512061 502198502 /nfs/dbraw/zinc/19/85/02/502198502.db2.gz VBIBOAZAFKBLSO-JKSUJKDBSA-N 0 3 367.449 3.436 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475581334 502218931 /nfs/dbraw/zinc/21/89/31/502218931.db2.gz IYDFYFHQZUBOFS-OAHLLOKOSA-N 0 3 350.415 3.157 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475707390 502259639 /nfs/dbraw/zinc/25/96/39/502259639.db2.gz SLUKSJGUGAFXFI-KGLIPLIRSA-N 0 3 350.415 3.015 20 5 FGBDHN COC(=O)COc1ccc(CN(C)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475721928 502263262 /nfs/dbraw/zinc/26/32/62/502263262.db2.gz HWHHEGZXQVPDCH-HNNXBMFYSA-N 0 3 372.421 3.382 20 5 FGBDHN COc1cc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000479633586 502325290 /nfs/dbraw/zinc/32/52/90/502325290.db2.gz FWSICQQBTXVXAP-CYBMUJFWSA-N 0 3 363.458 3.152 20 5 FGBDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409409 502379978 /nfs/dbraw/zinc/37/99/78/502379978.db2.gz QMBIIDDAZRKVRY-QUCCMNQESA-N 0 3 374.412 3.137 20 5 FGBDHN COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000483489907 502409134 /nfs/dbraw/zinc/40/91/34/502409134.db2.gz YDNXVNUHZHNRGO-OAHLLOKOSA-N 0 3 364.442 3.417 20 5 FGBDHN COC(=O)[C@H](C)Oc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000483623200 502445799 /nfs/dbraw/zinc/44/57/99/502445799.db2.gz JSGUPNRLXLFITF-AWEZNQCLSA-N 0 3 358.394 3.133 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000462482938 502458439 /nfs/dbraw/zinc/45/84/39/502458439.db2.gz IREWDKUJPLQACP-LJQANCHMSA-N 0 3 369.465 3.412 20 5 FGBDHN CN(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462510797 502470482 /nfs/dbraw/zinc/47/04/82/502470482.db2.gz LNQGBWMOZGVTPS-INIZCTEOSA-N 0 3 356.426 3.099 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000462603433 502503221 /nfs/dbraw/zinc/50/32/21/502503221.db2.gz PNZQMACXJAWEHS-RDJZCZTQSA-N 0 3 361.486 3.352 20 5 FGBDHN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO[C@H]1C1CC1 ZINC000466475148 502580917 /nfs/dbraw/zinc/58/09/17/502580917.db2.gz SBCCVCUDGWVYLZ-DOTOQJQBSA-N 0 3 356.369 3.491 20 5 FGBDHN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000466475149 502581515 /nfs/dbraw/zinc/58/15/15/502581515.db2.gz SBCCVCUDGWVYLZ-NVXWUHKLSA-N 0 3 356.369 3.491 20 5 FGBDHN CN(CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000487963314 502582661 /nfs/dbraw/zinc/58/26/61/502582661.db2.gz LDTLCHHWWXKWQU-UHFFFAOYSA-N 0 3 370.453 3.261 20 5 FGBDHN O=[N+]([O-])c1ccc(CNc2cccc(CN3CC[C@H](O)C3)c2)c(Cl)c1 ZINC000462853691 502600495 /nfs/dbraw/zinc/60/04/95/502600495.db2.gz IKPZEQALOCTCFJ-KRWDZBQOSA-N 0 3 361.829 3.427 20 5 FGBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000466552384 502604825 /nfs/dbraw/zinc/60/48/25/502604825.db2.gz BZJNBKZWWBLLBO-STQMWFEESA-N 0 3 368.865 3.310 20 5 FGBDHN COc1ccc(CNC[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462909074 502623101 /nfs/dbraw/zinc/62/31/01/502623101.db2.gz GCMJAMLEKAWCRO-OAHLLOKOSA-N 0 3 359.401 3.359 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000602852125 506327795 /nfs/dbraw/zinc/32/77/95/506327795.db2.gz CMMLFHYCHPDGDF-MRXNPFEDSA-N 0 3 354.410 3.198 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cc(C(N)=O)ccc1CN(C)C ZINC000470176655 502696755 /nfs/dbraw/zinc/69/67/55/502696755.db2.gz XTAOAVMKBZMEEA-NTEUORMPSA-N 0 3 368.437 3.271 20 5 FGBDHN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000484718923 502719462 /nfs/dbraw/zinc/71/94/62/502719462.db2.gz KICGNAUBCQTTAS-HNAYVOBHSA-N 0 3 370.453 3.128 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504895456 502820337 /nfs/dbraw/zinc/82/03/37/502820337.db2.gz UOFXJVKFYWRGDR-NVXWUHKLSA-N 0 3 358.438 3.495 20 5 FGBDHN CN(C)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488901000 502834452 /nfs/dbraw/zinc/83/44/52/502834452.db2.gz KZWWBMNKEIJPHI-OAHLLOKOSA-N 0 3 365.792 3.420 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1 ZINC000593017824 506339581 /nfs/dbraw/zinc/33/95/81/506339581.db2.gz FUVLQNOBLTYPQQ-UHFFFAOYSA-N 0 3 371.412 3.057 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489317150 502927009 /nfs/dbraw/zinc/92/70/09/502927009.db2.gz GMZCLLKXHULKBY-MRXNPFEDSA-N 0 3 370.453 3.395 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000489410038 502950859 /nfs/dbraw/zinc/95/08/59/502950859.db2.gz YFUDGKZAPGGTRU-HZPDHXFCSA-N 0 3 362.474 3.384 20 5 FGBDHN CC[C@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000489449334 502961567 /nfs/dbraw/zinc/96/15/67/502961567.db2.gz NXPFVWUJOQQTAH-LVFSCSRESA-N 0 3 374.485 3.418 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000588821086 506346363 /nfs/dbraw/zinc/34/63/63/506346363.db2.gz QZMUBEXTPXRKAH-OAHLLOKOSA-N 0 3 357.458 3.220 20 5 FGBDHN Cc1ccc(CN[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509955461 503018255 /nfs/dbraw/zinc/01/82/55/503018255.db2.gz DNYUEKYRZVOSMJ-IBGZPJMESA-N 0 3 367.449 3.227 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000506193512 503066856 /nfs/dbraw/zinc/06/68/56/503066856.db2.gz UUZTUISJAHGDFS-LBPRGKRZSA-N 0 3 351.472 3.309 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596308771 506350435 /nfs/dbraw/zinc/35/04/35/506350435.db2.gz UIZLLVOMOFYHRA-HNNXBMFYSA-N 0 3 360.458 3.116 20 5 FGBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000502543742 503221306 /nfs/dbraw/zinc/22/13/06/503221306.db2.gz CPGSFGGHIHZWTC-UXIGCNINSA-N 0 3 371.384 3.370 20 5 FGBDHN Cc1c(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000503099204 503347101 /nfs/dbraw/zinc/34/71/01/503347101.db2.gz ASIGTOCRQRRREN-KXBFYZLASA-N 0 3 370.453 3.394 20 5 FGBDHN CN(CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000503118691 503350728 /nfs/dbraw/zinc/35/07/28/503350728.db2.gz LKQUXXCMWHPBLD-UHFFFAOYSA-N 0 3 373.478 3.325 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCN1Cc1ccccc1 ZINC000593062030 506368283 /nfs/dbraw/zinc/36/82/83/506368283.db2.gz MRMRPDRXIZMWEJ-GOSISDBHSA-N 0 3 371.412 3.057 20 5 FGBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000503586203 503442013 /nfs/dbraw/zinc/44/20/13/503442013.db2.gz IWLGOGWYGSXVCK-GFCCVEGCSA-N 0 3 372.263 3.270 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000508312029 503472860 /nfs/dbraw/zinc/47/28/60/503472860.db2.gz AORJSBZNUGCLEA-QLFBSQMISA-N 0 3 365.499 3.312 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C2CCOCC2)c2ccccc2)c1 ZINC000494051726 503480136 /nfs/dbraw/zinc/48/01/36/503480136.db2.gz YQRZZEUVRAISGI-WOJBJXKFSA-N 0 3 356.422 3.061 20 5 FGBDHN 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COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000589511977 506574274 /nfs/dbraw/zinc/57/42/74/506574274.db2.gz QZLTXBMWKIEQTQ-CVEARBPZSA-N 0 3 350.415 3.063 20 5 FGBDHN COc1ccc(OCCN[C@H](c2ccc(OC)nc2)C2CC2)c([N+](=O)[O-])c1 ZINC000599697961 506588256 /nfs/dbraw/zinc/58/82/56/506588256.db2.gz JMNXVTFUFIPOHH-IBGZPJMESA-N 0 3 373.409 3.127 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596843655 506632355 /nfs/dbraw/zinc/63/23/55/506632355.db2.gz HFRODRQIJIUDLG-INIZCTEOSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000593467622 506637294 /nfs/dbraw/zinc/63/72/94/506637294.db2.gz LXJYYORFQACMEU-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H](OCCN2CCCCC2)C1 ZINC000593468087 506637660 /nfs/dbraw/zinc/63/76/60/506637660.db2.gz SRRWEWATAVFLCN-KRWDZBQOSA-N 0 3 370.453 3.224 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000603873889 506643069 /nfs/dbraw/zinc/64/30/69/506643069.db2.gz MFDNECFTZVNBLL-UHFFFAOYSA-N 0 3 353.378 3.333 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593495326 506652361 /nfs/dbraw/zinc/65/23/61/506652361.db2.gz XLXFQPYIRKYHAO-GOSISDBHSA-N 0 3 371.412 3.009 20 5 FGBDHN Cc1cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593495767 506653707 /nfs/dbraw/zinc/65/37/07/506653707.db2.gz IIZAHVSVVFSHNV-LEWJYISDSA-N 0 3 367.449 3.383 20 5 FGBDHN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000599986714 506736667 /nfs/dbraw/zinc/73/66/67/506736667.db2.gz YHWVPVDPRZSHSN-CYBMUJFWSA-N 0 3 351.472 3.018 20 5 FGBDHN C[C@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000593708313 506744007 /nfs/dbraw/zinc/74/40/07/506744007.db2.gz SNLDEDOTKGQALN-KBXCAEBGSA-N 0 3 371.412 3.056 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc(N3CCCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000608971659 506753779 /nfs/dbraw/zinc/75/37/79/506753779.db2.gz NUJUQEWUPXQKIF-UHFFFAOYSA-N 0 3 368.437 3.297 20 5 FGBDHN CO[C@]1(CO)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597186434 506822489 /nfs/dbraw/zinc/82/24/89/506822489.db2.gz DNQRKQQFSWKHRY-GOSISDBHSA-N 0 3 362.451 3.297 20 5 FGBDHN O=[N+]([O-])c1cnccc1NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000609288850 506836010 /nfs/dbraw/zinc/83/60/10/506836010.db2.gz DTNOLROXRLXBMA-UHFFFAOYSA-N 0 3 360.845 3.389 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@H]4COC[C@@]4(C)C3)o2)c([N+](=O)[O-])c1 ZINC000597210502 506837061 /nfs/dbraw/zinc/83/70/61/506837061.db2.gz HOMZLJGXRGTOQN-ORAYPTAESA-N 0 3 358.394 3.332 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000604460942 506838128 /nfs/dbraw/zinc/83/81/28/506838128.db2.gz GZOOQYDHNSZLOR-WBVHZDCISA-N 0 3 370.453 3.231 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600230060 506862410 /nfs/dbraw/zinc/86/24/10/506862410.db2.gz PKXFNWHLTIAEMS-HNNXBMFYSA-N 0 3 368.437 3.280 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000597255193 506863122 /nfs/dbraw/zinc/86/31/22/506863122.db2.gz SRGRTMUDKWYHHS-NAASZUNDSA-N 0 3 353.422 3.497 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594040683 506901213 /nfs/dbraw/zinc/90/12/13/506901213.db2.gz AGVBNIYCRSGAMA-UKRRQHHQSA-N 0 3 355.822 3.124 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609704152 506978635 /nfs/dbraw/zinc/97/86/35/506978635.db2.gz CKHHWAXHJNGTHN-AWEZNQCLSA-N 0 3 368.437 3.331 20 5 FGBDHN Cc1ccnc([C@H]2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000583820666 506993234 /nfs/dbraw/zinc/99/32/34/506993234.db2.gz LTQAILTZYRMVOT-INIZCTEOSA-N 0 3 368.437 3.425 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195222 506999170 /nfs/dbraw/zinc/99/91/70/506999170.db2.gz DPHADWAZXNMVFW-CABCVRRESA-N 0 3 371.359 3.360 20 5 FGBDHN CC(C)Oc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594194909 506999495 /nfs/dbraw/zinc/99/94/95/506999495.db2.gz AJMYIUSRPYIILZ-JKSUJKDBSA-N 0 3 361.442 3.129 20 5 FGBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC000597711961 507069628 /nfs/dbraw/zinc/06/96/28/507069628.db2.gz ZEOZWLRCTHQTMC-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC(C2CCC2)C2CCC2)cc1 ZINC000600747969 507096801 /nfs/dbraw/zinc/09/68/01/507096801.db2.gz REYURSKJMYSAJD-UHFFFAOYSA-N 0 3 366.483 3.175 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000610116519 507105763 /nfs/dbraw/zinc/10/57/63/507105763.db2.gz MCDADZQFOCLXBF-QAPCUYQASA-N 0 3 359.401 3.029 20 5 FGBDHN CCS[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000584108336 507157115 /nfs/dbraw/zinc/15/71/15/507157115.db2.gz ZKNGIPDLLQSFHE-HIFRSBDPSA-N 0 3 372.512 3.022 20 5 FGBDHN CN(C)[C@H](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000591319652 507199512 /nfs/dbraw/zinc/19/95/12/507199512.db2.gz NRUYGTKTIWOQBX-LJQANCHMSA-N 0 3 353.422 3.173 20 5 FGBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000591321818 507200518 /nfs/dbraw/zinc/20/05/18/507200518.db2.gz OQAODFQOTZUEBF-UHFFFAOYSA-N 0 3 363.483 3.454 20 5 FGBDHN CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(CC)C1 ZINC000598043848 507230317 /nfs/dbraw/zinc/23/03/17/507230317.db2.gz WPGPOETUKQIICR-OAHLLOKOSA-N 0 3 374.466 3.275 20 5 FGBDHN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598043229 507230812 /nfs/dbraw/zinc/23/08/12/507230812.db2.gz SDIYMFCOMATMAC-DZGCQCFKSA-N 0 3 351.472 3.018 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601260396 507314342 /nfs/dbraw/zinc/31/43/42/507314342.db2.gz ABCIVYAFBKSAKJ-MRXNPFEDSA-N 0 3 371.412 3.328 20 5 FGBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598219001 507322788 /nfs/dbraw/zinc/32/27/88/507322788.db2.gz KLLJARIURUETBZ-AWEZNQCLSA-N 0 3 357.410 3.478 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H]3C[C@H](O)C34CCC4)o2)c([N+](=O)[O-])c1 ZINC000594985878 507342995 /nfs/dbraw/zinc/34/29/95/507342995.db2.gz BPEGPBMRPAPBIX-MSOLQXFVSA-N 0 3 358.394 3.257 20 5 FGBDHN COc1ccc(-c2ccc(CNCCc3cncc(C)n3)o2)c([N+](=O)[O-])c1 ZINC000594986399 507343547 /nfs/dbraw/zinc/34/35/47/507343547.db2.gz FAFQNDUYMQJWRS-UHFFFAOYSA-N 0 3 368.393 3.294 20 5 FGBDHN COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595035901 507363497 /nfs/dbraw/zinc/36/34/97/507363497.db2.gz NDLXZRUJOIGERK-JSGCOSHPSA-N 0 3 358.394 3.266 20 5 FGBDHN CO[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595060207 507372410 /nfs/dbraw/zinc/37/24/10/507372410.db2.gz KAOSPVVGQDFNTJ-DFQSSKMNSA-N 0 3 356.422 3.325 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610964522 507457145 /nfs/dbraw/zinc/45/71/45/507457145.db2.gz QERMPYJXRDSDAE-INIZCTEOSA-N 0 3 360.458 3.143 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN(CCc1cscn1)[C@H]1CC[C@H](O)CC1 ZINC000592132222 507498594 /nfs/dbraw/zinc/49/85/94/507498594.db2.gz CQKCHGQVXINZOC-QAQDUYKDSA-N 0 3 361.467 3.400 20 5 FGBDHN COc1cc(CNC2(CCO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595508969 507536771 /nfs/dbraw/zinc/53/67/71/507536771.db2.gz MMVPTHRHWJGJTB-UHFFFAOYSA-N 0 3 374.384 3.032 20 5 FGBDHN CC(=O)c1nc(CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000595523128 507543002 /nfs/dbraw/zinc/54/30/02/507543002.db2.gz IESKSNNFZYGJJT-MRXNPFEDSA-N 0 3 356.426 3.251 20 5 FGBDHN CC(=O)c1[nH]c(CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC000595523128 507543010 /nfs/dbraw/zinc/54/30/10/507543010.db2.gz IESKSNNFZYGJJT-MRXNPFEDSA-N 0 3 356.426 3.251 20 5 FGBDHN C[C@H]1CN2CCCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171054 507546471 /nfs/dbraw/zinc/54/64/71/507546471.db2.gz OHMADPDTJOLCGE-KSSFIOAISA-N 0 3 356.426 3.308 20 5 FGBDHN COc1cc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000611256209 507583534 /nfs/dbraw/zinc/58/35/34/507583534.db2.gz SYRXEFSPWTWOSO-OAHLLOKOSA-N 0 3 359.401 3.453 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ccco2)CC1 ZINC000595614101 507592264 /nfs/dbraw/zinc/59/22/64/507592264.db2.gz FIMFQPVBPXIUJW-UHFFFAOYSA-N 0 3 373.409 3.405 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702387 507637628 /nfs/dbraw/zinc/63/76/28/507637628.db2.gz JAUHJQKNHOAPSR-SJORKVTESA-N 0 3 374.485 3.357 20 5 FGBDHN COc1cc(CN2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000592527739 507696320 /nfs/dbraw/zinc/69/63/20/507696320.db2.gz OSKYSRXCYJLIAI-ZDUSSCGKSA-N 0 3 350.415 3.003 20 5 FGBDHN O=[N+]([O-])c1ccc(CCNc2cccc(CN3CCC(O)CC3)c2)cc1 ZINC000602488576 507724583 /nfs/dbraw/zinc/72/45/83/507724583.db2.gz VQSGSZOPVMCJGG-UHFFFAOYSA-N 0 3 355.438 3.206 20 5 FGBDHN Cc1ccc2c(c1C)OC[C@H]2NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507500 507729932 /nfs/dbraw/zinc/72/99/32/507729932.db2.gz SQOWWIBWSVJSPJ-GOSISDBHSA-N 0 3 368.437 3.299 20 5 FGBDHN Cc1ncc2c(n1)CC[C@@H](NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602509867 507731248 /nfs/dbraw/zinc/73/12/48/507731248.db2.gz VJAMKSRDHYQMEH-CQSZACIVSA-N 0 3 366.343 3.359 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CSc4ccccc43)CC2)cn1 ZINC000602552687 507746220 /nfs/dbraw/zinc/74/62/20/507746220.db2.gz ICGUIUQSMVZZNO-MRXNPFEDSA-N 0 3 356.451 3.395 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)s1 ZINC000588070535 507751640 /nfs/dbraw/zinc/75/16/40/507751640.db2.gz PDVZIDWQMOUUJV-QGZVFWFLSA-N 0 3 372.494 3.053 20 5 FGBDHN C[C@H]1CCCN(c2ccc(C(=O)NCC3(N(C)C)CCC3)cc2[N+](=O)[O-])C1 ZINC000615141718 507766283 /nfs/dbraw/zinc/76/62/83/507766283.db2.gz FUBSQJAFXRSAEA-HNNXBMFYSA-N 0 3 374.485 3.045 20 5 FGBDHN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735873959 598681498 /nfs/dbraw/zinc/68/14/98/598681498.db2.gz KGZPUDOSXZGAGC-UHFFFAOYSA-N 0 3 370.388 3.325 20 5 FGBDHN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735873959 598681499 /nfs/dbraw/zinc/68/14/99/598681499.db2.gz KGZPUDOSXZGAGC-UHFFFAOYSA-N 0 3 370.388 3.325 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078429027 700278677 /nfs/dbraw/zinc/27/86/77/700278677.db2.gz HIXRQPKPAZPPRI-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000084249959 700354892 /nfs/dbraw/zinc/35/48/92/700354892.db2.gz AREHMLSXFXUZPH-JXMROGBWSA-N 0 3 359.451 3.260 20 5 FGBDHN C[C@H](C[C@@H](O)c1ccco1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000130355889 700800297 /nfs/dbraw/zinc/80/02/97/700800297.db2.gz NZJLGMHIGQUMKC-ZWNOBZJWSA-N 0 3 356.325 3.391 20 5 FGBDHN CCOc1ccc([C@H](C)NCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000153435173 704998815 /nfs/dbraw/zinc/99/88/15/704998815.db2.gz GCGRCQCUVOQLGY-LBPRGKRZSA-N 0 3 353.419 3.169 20 5 FGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000156827102 705133392 /nfs/dbraw/zinc/13/33/92/705133392.db2.gz KPOPHLBBSBERRL-CQSZACIVSA-N 0 3 359.813 3.381 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000783914555 724803543 /nfs/dbraw/zinc/80/35/43/724803543.db2.gz AKZHNNBDYVJLEB-CYBMUJFWSA-N 0 3 351.472 3.309 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(Br)cs2)c1 ZINC000749680042 722736623 /nfs/dbraw/zinc/73/66/23/722736623.db2.gz ZGCFUTQHBODDDW-ZDUSSCGKSA-N 0 3 357.229 3.242 20 5 FGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750186650 722757738 /nfs/dbraw/zinc/75/77/38/722757738.db2.gz DIYJRWNEUZNKEK-CYBMUJFWSA-N 0 3 359.813 3.381 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000774475461 723898333 /nfs/dbraw/zinc/89/83/33/723898333.db2.gz GTFIAMUSRCQWTC-HIFRSBDPSA-N 0 3 350.415 3.330 20 5 FGBDHN COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000785960937 724952276 /nfs/dbraw/zinc/95/22/76/724952276.db2.gz LOVOQWVAWIBXHE-IRXDYDNUSA-N 0 3 350.802 3.259 20 5 FGBDHN O=[N+]([O-])c1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1Cl ZINC000811518293 725372234 /nfs/dbraw/zinc/37/22/34/725372234.db2.gz JAYWRHWSZAWHDS-HOTGVXAUSA-N 0 3 354.834 3.048 20 5 FGBDHN CC(COC(=O)COc1ccc(C2SCCCS2)cc1)[N+](=O)[O-] ZINC000813104183 726839325 /nfs/dbraw/zinc/83/93/25/726839325.db2.gz XOJAIBLEXPUVHV-LLVKDONJSA-N 0 3 357.453 3.143 20 5 FGBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000813112690 726840228 /nfs/dbraw/zinc/84/02/28/726840228.db2.gz SZGSDYMDCXZPLP-LLVKDONJSA-N 0 3 351.790 3.471 20 5 FGBDHN CCN(CC)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112975 726840307 /nfs/dbraw/zinc/84/03/07/726840307.db2.gz MVNMRJGQZZTDBZ-RISCZKNCSA-N 0 3 362.348 3.297 20 5 FGBDHN CCOc1cc(Cl)ccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819185789 727356017 /nfs/dbraw/zinc/35/60/17/727356017.db2.gz LVBJBILMWRROSB-MRXNPFEDSA-N 0 3 350.802 3.470 20 5 FGBDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000822766427 729218605 /nfs/dbraw/zinc/21/86/05/729218605.db2.gz RJRZGHBEKKBXCV-AWEZNQCLSA-N 0 3 359.220 3.179 20 5 FGBDHN COc1cc(C(=O)OC[C@H]2CCCCN2C(C)C)c([N+](=O)[O-])cc1F ZINC000838055707 730086573 /nfs/dbraw/zinc/08/65/73/730086573.db2.gz XXANAKZQOBOFNM-GFCCVEGCSA-N 0 3 354.378 3.162 20 5 FGBDHN Cc1nn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1Cl ZINC000845875424 730905172 /nfs/dbraw/zinc/90/51/72/730905172.db2.gz MNYYHVWNHOMPQG-MEDUHNTESA-N 0 3 369.780 3.242 20 5 FGBDHN COc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1Cl ZINC000845882664 730906031 /nfs/dbraw/zinc/90/60/31/730906031.db2.gz PKKMMUQFIMIEAQ-XPTSAGLGSA-N 0 3 368.748 3.446 20 5 FGBDHN COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H](C)N2CCCCC2)cc1SC ZINC000847960814 731115029 /nfs/dbraw/zinc/11/50/29/731115029.db2.gz QWZPFPSKJNPCCA-GFCCVEGCSA-N 0 3 368.455 3.357 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCNC(=O)OC(C)(C)C ZINC000850432143 731356588 /nfs/dbraw/zinc/35/65/88/731356588.db2.gz RWIICXSHSLRPRG-GFCCVEGCSA-N 0 3 353.419 3.169 20 5 FGBDHN COC(=O)N1CCC([C@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872063507 735583263 /nfs/dbraw/zinc/58/32/63/735583263.db2.gz QTTPRQPLWWRXTL-NWDGAFQWSA-N 0 3 353.394 3.251 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CS(C)(=O)=O)CCC1 ZINC000872078267 735585888 /nfs/dbraw/zinc/58/58/88/735585888.db2.gz AXXAHZGSANQBTL-GFCCVEGCSA-N 0 3 372.512 3.182 20 5 FGBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874832793 735936711 /nfs/dbraw/zinc/93/67/11/735936711.db2.gz HBYSBLRIEWHIRD-OLZOCXBDSA-N 0 3 369.874 3.035 20 5 FGBDHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000880514940 737183171 /nfs/dbraw/zinc/18/31/71/737183171.db2.gz DCCGAKYFRGXRSW-JGFGOQIWSA-N 0 3 367.833 3.267 20 5 FGBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000883219141 737537410 /nfs/dbraw/zinc/53/74/10/737537410.db2.gz MUWIVINREHQJNY-WFASDCNBSA-N 0 3 362.348 3.145 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCC2(CCOCC2)CO1 ZINC000895997718 742479184 /nfs/dbraw/zinc/47/91/84/742479184.db2.gz LZSNBKHKTFOUSH-OAHLLOKOSA-N 0 3 354.834 3.314 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923272610 759093939 /nfs/dbraw/zinc/09/39/39/759093939.db2.gz CJNWERPQPJELAO-HIFRSBDPSA-N 0 3 363.483 3.404 20 5 FGBDHN C[C@H](Cc1cccnc1)NCc1cccc([N+](=O)[O-])c1Br ZINC000934229633 761565606 /nfs/dbraw/zinc/56/56/06/761565606.db2.gz JUZPPPQYVMCZEO-LLVKDONJSA-N 0 3 350.216 3.473 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000567904681 505571888 /nfs/dbraw/zinc/57/18/88/505571888.db2.gz HXWHSSLJAMBZSC-UHFFFAOYSA-N 0 3 368.437 3.075 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000571106334 505654704 /nfs/dbraw/zinc/65/47/04/505654704.db2.gz DQMZRIGBKXIYAI-CQSZACIVSA-N 0 3 361.467 3.350 20 5 FGBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(OC(C)C)c1 ZINC000571198178 505677425 /nfs/dbraw/zinc/67/74/25/505677425.db2.gz GTGMHSCBWBOAIP-QGZVFWFLSA-N 0 3 374.437 3.220 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000574046070 505681493 /nfs/dbraw/zinc/68/14/93/505681493.db2.gz AJAACSAXSDCOLK-UHFFFAOYSA-N 0 3 370.453 3.201 20 5 FGBDHN COc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029177495 493822791 /nfs/dbraw/zinc/82/27/91/493822791.db2.gz NNIGXXGEZWUCHH-QGZVFWFLSA-N 0 3 369.421 3.170 20 5 FGBDHN CN(C)CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000058296696 493843214 /nfs/dbraw/zinc/84/32/14/493843214.db2.gz MXBTXJXMPKDLIP-UHFFFAOYSA-N 0 3 366.421 3.144 20 5 FGBDHN COC(=O)COc1c(C)cc(CNCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000069159959 493929726 /nfs/dbraw/zinc/92/97/26/493929726.db2.gz NXAVGGGYNLDPJZ-UHFFFAOYSA-N 0 3 358.394 3.053 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032217115 493978444 /nfs/dbraw/zinc/97/84/44/493978444.db2.gz CHACUXLZWGJVRS-LJQANCHMSA-N 0 3 353.422 3.091 20 5 FGBDHN Cc1c(C(=O)NCCCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000032398973 493985088 /nfs/dbraw/zinc/98/50/88/493985088.db2.gz GTJKMONPNVGRPF-UHFFFAOYSA-N 0 3 353.422 3.081 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000006983457 493992019 /nfs/dbraw/zinc/99/20/19/493992019.db2.gz VLGOVEYIAHNSBP-UHFFFAOYSA-N 0 3 368.437 3.161 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000006983570 493992034 /nfs/dbraw/zinc/99/20/34/493992034.db2.gz ZOEKJNRMDTYLBR-CQSZACIVSA-N 0 3 373.478 3.453 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000032730693 494009444 /nfs/dbraw/zinc/00/94/44/494009444.db2.gz ZVGYQWIAXFUNMH-KGLIPLIRSA-N 0 3 360.458 3.162 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000062984527 494026471 /nfs/dbraw/zinc/02/64/71/494026471.db2.gz MYTGMBFRFBAOJR-CYBMUJFWSA-N 0 3 354.248 3.422 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000032763251 494013904 /nfs/dbraw/zinc/01/39/04/494013904.db2.gz AMDXSQXECHCQBD-MRXNPFEDSA-N 0 3 359.451 3.152 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000072089519 494127052 /nfs/dbraw/zinc/12/70/52/494127052.db2.gz OEIOVNNQHRWTOE-NSHDSACASA-N 0 3 374.319 3.196 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000010138553 494144773 /nfs/dbraw/zinc/14/47/73/494144773.db2.gz AZKPTMIEMYVZQM-MRXNPFEDSA-N 0 3 373.478 3.219 20 5 FGBDHN C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000087273477 494189924 /nfs/dbraw/zinc/18/99/24/494189924.db2.gz RCJSGGJPNBLYAC-INIZCTEOSA-N 0 3 355.438 3.164 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H](C(C)C)C1 ZINC000072837084 494261491 /nfs/dbraw/zinc/26/14/91/494261491.db2.gz CXZYNDOVYDYROA-MRXNPFEDSA-N 0 3 367.471 3.005 20 5 FGBDHN COC(=O)COc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000089730470 494350073 /nfs/dbraw/zinc/35/00/73/494350073.db2.gz WRYBYODOFHPBQA-AWEZNQCLSA-N 0 3 358.394 3.306 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000066726026 494395593 /nfs/dbraw/zinc/39/55/93/494395593.db2.gz FCMATIDBTJSQAP-UHFFFAOYSA-N 0 3 374.416 3.040 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N(C)C)cc1 ZINC000018017109 494421165 /nfs/dbraw/zinc/42/11/65/494421165.db2.gz DENSJERYAATEMT-IBGZPJMESA-N 0 3 355.438 3.498 20 5 FGBDHN CC(C)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000023678108 494574767 /nfs/dbraw/zinc/57/47/67/494574767.db2.gz KVWRABSEDGZOBL-HKUYNNGSSA-N 0 3 362.401 3.461 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3cc(C)c([N+](=O)[O-])cn3)cc2)CC1 ZINC000074740823 494588675 /nfs/dbraw/zinc/58/86/75/494588675.db2.gz BCRWNPTVHKSQGZ-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125960736 494589422 /nfs/dbraw/zinc/58/94/22/494589422.db2.gz PPKKCBDFGFFDMG-CYBMUJFWSA-N 0 3 358.394 3.230 20 5 FGBDHN C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC(C)CC1 ZINC000121195124 494640390 /nfs/dbraw/zinc/64/03/90/494640390.db2.gz ASTKYOJIRVFKQO-MRXNPFEDSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC[C@H]1C ZINC000047144500 494643488 /nfs/dbraw/zinc/64/34/88/494643488.db2.gz OTIVCDVVQDHNMD-ZIAGYGMSSA-N 0 3 351.472 3.066 20 5 FGBDHN COc1cc(CNCC2(CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000080247680 494649248 /nfs/dbraw/zinc/64/92/48/494649248.db2.gz UTONERUIDFLXEM-UHFFFAOYSA-N 0 3 372.421 3.045 20 5 FGBDHN Cn1cc(CN2CCC(n3ccnc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092648366 494693439 /nfs/dbraw/zinc/69/34/39/494693439.db2.gz CEBCNPRGHMPNPG-UHFFFAOYSA-N 0 3 366.425 3.029 20 5 FGBDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)on1 ZINC000067965838 494712443 /nfs/dbraw/zinc/71/24/43/494712443.db2.gz REJBAFXCVUOWKO-MRXNPFEDSA-N 0 3 358.398 3.365 20 5 FGBDHN CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000025535823 494754425 /nfs/dbraw/zinc/75/44/25/494754425.db2.gz MVHKMRKIJRYNLQ-HXUWFJFHSA-N 0 3 367.449 3.408 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](N2CCCC2)C1 ZINC000126471645 494762983 /nfs/dbraw/zinc/76/29/83/494762983.db2.gz ZURSZILYCOSIFT-AWEZNQCLSA-N 0 3 371.359 3.314 20 5 FGBDHN COc1cccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000026221972 494811480 /nfs/dbraw/zinc/81/14/80/494811480.db2.gz HOSRCYWFKICCOC-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN CCCCN(Cc1ccccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075684756 494816065 /nfs/dbraw/zinc/81/60/65/494816065.db2.gz MJPUZRCUORJFAM-MRXNPFEDSA-N 0 3 366.849 3.108 20 5 FGBDHN CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCCN2CCCC2)cc1 ZINC000126788292 494838168 /nfs/dbraw/zinc/83/81/68/494838168.db2.gz UVKKOGDHNCVUOW-UHFFFAOYSA-N 0 3 369.421 3.346 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000109563085 494891001 /nfs/dbraw/zinc/89/10/01/494891001.db2.gz HTSRPCKFLGQVIJ-CQSZACIVSA-N 0 3 359.451 3.298 20 5 FGBDHN CNC(=O)CCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093717310 494914432 /nfs/dbraw/zinc/91/44/32/494914432.db2.gz XJUIYEJZRQOMHU-UHFFFAOYSA-N 0 3 365.817 3.466 20 5 FGBDHN CCc1nn(C)c(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000094166539 494956199 /nfs/dbraw/zinc/95/61/99/494956199.db2.gz MIOFUXCENGQQMS-WFASDCNBSA-N 0 3 363.487 3.447 20 5 FGBDHN O=C(NCCCN1CCc2ccccc2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110207250 494957772 /nfs/dbraw/zinc/95/77/72/494957772.db2.gz LDVXJIHPFZCPQM-UHFFFAOYSA-N 0 3 373.840 3.426 20 5 FGBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC)c1ccco1 ZINC000110319321 494968961 /nfs/dbraw/zinc/96/89/61/494968961.db2.gz IXBZHBINRYKFDH-MRXNPFEDSA-N 0 3 360.414 3.042 20 5 FGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000110975847 495026558 /nfs/dbraw/zinc/02/65/58/495026558.db2.gz RLDMTXLTQYGSKR-AWEZNQCLSA-N 0 3 363.458 3.234 20 5 FGBDHN Cc1c([C@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000133710546 495050264 /nfs/dbraw/zinc/05/02/64/495050264.db2.gz OWRMVYRWBONPOH-QWHCGFSZSA-N 0 3 366.364 3.272 20 5 FGBDHN COc1cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1[O-] ZINC000101596468 495083352 /nfs/dbraw/zinc/08/33/52/495083352.db2.gz NVKVAUIZOXSCOS-UHFFFAOYSA-N 0 3 359.357 3.262 20 5 FGBDHN C[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000119530135 495184507 /nfs/dbraw/zinc/18/45/07/495184507.db2.gz GJKAFMXUHDNPEK-APWZRJJASA-N 0 3 367.449 3.479 20 5 FGBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000134786413 495201199 /nfs/dbraw/zinc/20/11/99/495201199.db2.gz OUUWOLBPYXRPJW-HNNXBMFYSA-N 0 3 351.834 3.339 20 5 FGBDHN CN(C)CCn1ccc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000119786870 495240947 /nfs/dbraw/zinc/24/09/47/495240947.db2.gz JOFIDFZGZZUJFF-UHFFFAOYSA-N 0 3 355.398 3.225 20 5 FGBDHN COc1ccccc1CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104711097 495299618 /nfs/dbraw/zinc/29/96/18/495299618.db2.gz LQHWEHYINOEUJU-UHFFFAOYSA-N 0 3 371.437 3.415 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000120128373 495312909 /nfs/dbraw/zinc/31/29/09/495312909.db2.gz VWWWQQNGQAXOEU-SFHVURJKSA-N 0 3 364.405 3.176 20 5 FGBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129999486 495326172 /nfs/dbraw/zinc/32/61/72/495326172.db2.gz JYWXVSCYEMOZNQ-ZDUSSCGKSA-N 0 3 371.359 3.360 20 5 FGBDHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000120225431 495331277 /nfs/dbraw/zinc/33/12/77/495331277.db2.gz JYBICQZILHKROE-SFHVURJKSA-N 0 3 357.410 3.307 20 5 FGBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H](N2CCCC2)C1 ZINC000120369126 495361942 /nfs/dbraw/zinc/36/19/42/495361942.db2.gz HYTOWYNRRZHJCQ-OAHLLOKOSA-N 0 3 351.834 3.339 20 5 FGBDHN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000120599842 495414640 /nfs/dbraw/zinc/41/46/40/495414640.db2.gz KADGUAUCOUZVIW-UHFFFAOYSA-N 0 3 368.437 3.250 20 5 FGBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182428434 495559884 /nfs/dbraw/zinc/55/98/84/495559884.db2.gz ZUCSLOMPYGDDIA-CJNGLKHVSA-N 0 3 366.364 3.354 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000154421210 495611551 /nfs/dbraw/zinc/61/15/51/495611551.db2.gz LGDOVCLDWZBQOV-HYVNUMGLSA-N 0 3 362.451 3.278 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185551764 495618361 /nfs/dbraw/zinc/61/83/61/495618361.db2.gz PDUXMWFNJRGOHX-MJXNMMHHSA-N 0 3 371.412 3.399 20 5 FGBDHN COc1cc(C)c([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179627075 495667388 /nfs/dbraw/zinc/66/73/88/495667388.db2.gz AMFZKFPSBBAGGJ-GUYCJALGSA-N 0 3 360.410 3.305 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179738549 495712169 /nfs/dbraw/zinc/71/21/69/495712169.db2.gz KWDCAWJGUUYYPD-FQEVSTJZSA-N 0 3 370.405 3.486 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176711528 495758485 /nfs/dbraw/zinc/75/84/85/495758485.db2.gz GAWHMWSGTFPPMM-OAHLLOKOSA-N 0 3 360.458 3.234 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000176711417 495758961 /nfs/dbraw/zinc/75/89/61/495758961.db2.gz MLOSTGGVFIGKIP-OAHLLOKOSA-N 0 3 350.463 3.193 20 5 FGBDHN COc1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1OCC(C)C ZINC000180086365 495852610 /nfs/dbraw/zinc/85/26/10/495852610.db2.gz UMQBLMOAKIFBMI-CQSZACIVSA-N 0 3 362.430 3.186 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000183243952 495895802 /nfs/dbraw/zinc/89/58/02/495895802.db2.gz VGGPMVLDDKIUDO-UHFFFAOYSA-N 0 3 369.421 3.460 20 5 FGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1ccccc1 ZINC000183343583 495939981 /nfs/dbraw/zinc/93/99/81/495939981.db2.gz IQQKLWBMLDRNDU-HUUCEWRRSA-N 0 3 353.422 3.266 20 5 FGBDHN CC(C)C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000177283437 496005327 /nfs/dbraw/zinc/00/53/27/496005327.db2.gz FVQGCLUBLCFSQK-GFCCVEGCSA-N 0 3 372.263 3.063 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000183591278 496040911 /nfs/dbraw/zinc/04/09/11/496040911.db2.gz MBFFNDFYMNAGMI-KRWDZBQOSA-N 0 3 369.425 3.257 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183625764 496053222 /nfs/dbraw/zinc/05/32/22/496053222.db2.gz ORPGQSUJLRYEKQ-UHFFFAOYSA-N 0 3 357.414 3.022 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3ccccc3)o2)c1 ZINC000183632519 496055764 /nfs/dbraw/zinc/05/57/64/496055764.db2.gz ZQJIJBIMXAEDOW-QGZVFWFLSA-N 0 3 353.378 3.116 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152160295 496065338 /nfs/dbraw/zinc/06/53/38/496065338.db2.gz NBRHZJRMKBRUKW-GOSISDBHSA-N 0 3 360.458 3.143 20 5 FGBDHN C[C@H](Cn1cc(Br)cn1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155799892 496072016 /nfs/dbraw/zinc/07/20/16/496072016.db2.gz RKAKSRIHQWGFGH-GHMZBOCLSA-N 0 3 353.220 3.293 20 5 FGBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180826801 496160906 /nfs/dbraw/zinc/16/09/06/496160906.db2.gz JSBAFXWAWPXLGT-HNNXBMFYSA-N 0 3 357.410 3.155 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCCN2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000152589275 496197028 /nfs/dbraw/zinc/19/70/28/496197028.db2.gz QCTFSQAMTOURBX-OAHLLOKOSA-N 0 3 363.458 3.437 20 5 FGBDHN CCOc1cccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000184141693 496255954 /nfs/dbraw/zinc/25/59/54/496255954.db2.gz GILZROMUUHRSBQ-SJORKVTESA-N 0 3 371.437 3.041 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162080111 496292397 /nfs/dbraw/zinc/29/23/97/496292397.db2.gz IHSGSEHKTHRJFG-UHFFFAOYSA-N 0 3 372.263 3.017 20 5 FGBDHN Cc1ccc(NCCCNC(=O)c2cccc(CN(C)C)c2)c([N+](=O)[O-])c1 ZINC000156705978 496315965 /nfs/dbraw/zinc/31/59/65/496315965.db2.gz ZHCVDHMLUHJZPB-UHFFFAOYSA-N 0 3 370.453 3.197 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2cccnc2)cc1 ZINC000181278254 496336474 /nfs/dbraw/zinc/33/64/74/496336474.db2.gz SLZMTKZYHKXLLX-OAHLLOKOSA-N 0 3 364.405 3.169 20 5 FGBDHN COc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187221898 496346893 /nfs/dbraw/zinc/34/68/93/496346893.db2.gz DLLHPYUFFNEOGH-SCLBCKFNSA-N 0 3 357.410 3.025 20 5 FGBDHN COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187254143 496362635 /nfs/dbraw/zinc/36/26/35/496362635.db2.gz CCLVSGABXPTGJN-FZKQIMNGSA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000162758909 496407739 /nfs/dbraw/zinc/40/77/39/496407739.db2.gz UEPINCQGBJTJTO-UHFFFAOYSA-N 0 3 369.425 3.336 20 5 FGBDHN C[C@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655441 496529901 /nfs/dbraw/zinc/52/99/01/496529901.db2.gz LESDYMCLIGMPGQ-PXNSSMCTSA-N 0 3 369.465 3.189 20 5 FGBDHN Cc1[nH]c2ccccc2c1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157744315 496542736 /nfs/dbraw/zinc/54/27/36/496542736.db2.gz VQDJUUXJAAYRIF-UHFFFAOYSA-N 0 3 353.426 3.461 20 5 FGBDHN COc1ccccc1COC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181836101 496566321 /nfs/dbraw/zinc/56/63/21/496566321.db2.gz ALRPVOAIMYDJKZ-QAPCUYQASA-N 0 3 374.437 3.140 20 5 FGBDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153783468 496579413 /nfs/dbraw/zinc/57/94/13/496579413.db2.gz PPMUWCZLUNHJSG-MRXNPFEDSA-N 0 3 355.438 3.278 20 5 FGBDHN CCOc1cc(CN(C)C2CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000153797894 496584730 /nfs/dbraw/zinc/58/47/30/496584730.db2.gz MZVQAQHVDUJXJN-UHFFFAOYSA-N 0 3 374.441 3.172 20 5 FGBDHN C[C@H](c1ccc(Cl)cc1)N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173235986 496606024 /nfs/dbraw/zinc/60/60/24/496606024.db2.gz UFJYUNBLEBASJJ-SJKOYZFVSA-N 0 3 364.833 3.031 20 5 FGBDHN Cc1c(Br)c(N[C@H]2CCN3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000165747689 496667969 /nfs/dbraw/zinc/66/79/69/496667969.db2.gz GEAWAHPAHUUANF-WDEREUQCSA-N 0 3 355.236 3.099 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176113714 496689202 /nfs/dbraw/zinc/68/92/02/496689202.db2.gz OYISWSJDMQZJQU-LPHOPBHVSA-N 0 3 367.449 3.307 20 5 FGBDHN CCC[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166565917 496689293 /nfs/dbraw/zinc/68/92/93/496689293.db2.gz VFMQOPKKXRURNT-VQIMIIECSA-N 0 3 357.458 3.428 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182175233 496697689 /nfs/dbraw/zinc/69/76/89/496697689.db2.gz ZICFOFUQLCIMCG-IUODEOHRSA-N 0 3 350.802 3.339 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160644 496705130 /nfs/dbraw/zinc/70/51/30/496705130.db2.gz BMWHXMAECWFYBE-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247339827 496838881 /nfs/dbraw/zinc/83/88/81/496838881.db2.gz JDCFKJTWJHPTHX-YOEHRIQHSA-N 0 3 359.451 3.469 20 5 FGBDHN COc1cc(CNC[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000191671581 496851542 /nfs/dbraw/zinc/85/15/42/496851542.db2.gz SQOVVXJPERVVEK-SFHVURJKSA-N 0 3 352.431 3.033 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000192140289 497010245 /nfs/dbraw/zinc/01/02/45/497010245.db2.gz WGWJIYATSQXVFE-ROUUACIJSA-N 0 3 364.348 3.372 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000248453764 497017262 /nfs/dbraw/zinc/01/72/62/497017262.db2.gz KBMGTXYLVKIGHP-WMZOPIPTSA-N 0 3 374.412 3.038 20 5 FGBDHN COc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc([N+](=O)[O-])c1OC ZINC000270350705 497107809 /nfs/dbraw/zinc/10/78/09/497107809.db2.gz CEOJSFACTNTFEI-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248870477 497122468 /nfs/dbraw/zinc/12/24/68/497122468.db2.gz QLMHFGPDPKJFHT-BEFAXECRSA-N 0 3 367.449 3.082 20 5 FGBDHN CN(CCCn1ccnc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278511117 497140126 /nfs/dbraw/zinc/14/01/26/497140126.db2.gz BJBHMBADHYKAJP-UHFFFAOYSA-N 0 3 353.220 3.076 20 5 FGBDHN CNCc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237180941 497202033 /nfs/dbraw/zinc/20/20/33/497202033.db2.gz OYAJOPOAWWSRJP-UHFFFAOYSA-N 0 3 354.410 3.167 20 5 FGBDHN CCC[C@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810838 497220206 /nfs/dbraw/zinc/22/02/06/497220206.db2.gz YWRINFWTIFRXAC-AEFFLSMTSA-N 0 3 355.442 3.485 20 5 FGBDHN CCn1nccc1C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278986575 497292745 /nfs/dbraw/zinc/29/27/45/497292745.db2.gz ZXSYJPBTWZVLHK-UHFFFAOYSA-N 0 3 371.441 3.019 20 5 FGBDHN CN(Cc1cccc(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331451 497352099 /nfs/dbraw/zinc/35/20/99/497352099.db2.gz TYNFBVNQSITKNP-HNNXBMFYSA-N 0 3 350.802 3.120 20 5 FGBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000255765484 497374696 /nfs/dbraw/zinc/37/46/96/497374696.db2.gz AAAGVJCAPIQAQY-KOTDBNOLSA-N 0 3 356.422 3.118 20 5 FGBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](C)c1ccccc1 ZINC000245479783 497425423 /nfs/dbraw/zinc/42/54/23/497425423.db2.gz WRPSEPYBFXGCLR-VCBZYWHSSA-N 0 3 353.422 3.482 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245779815 497535843 /nfs/dbraw/zinc/53/58/43/497535843.db2.gz YRTLGZDQJOJKOX-SJCJKPOMSA-N 0 3 374.466 3.051 20 5 FGBDHN CCc1nnc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)[nH]1 ZINC000190674415 497568175 /nfs/dbraw/zinc/56/81/75/497568175.db2.gz ILMVYDKICLFSSC-UHFFFAOYSA-N 0 3 373.457 3.442 20 5 FGBDHN CC(C)c1ccc([C@H](N)CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000262556389 497574304 /nfs/dbraw/zinc/57/43/04/497574304.db2.gz YUALOILFYVDCNS-QGZVFWFLSA-N 0 3 371.437 3.303 20 5 FGBDHN COc1cc(C[NH2+]CCc2ccccc2OC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000190886367 497633816 /nfs/dbraw/zinc/63/38/16/497633816.db2.gz SPERWVQMGUQZSP-UHFFFAOYSA-N 0 3 368.336 3.243 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000569392641 505924194 /nfs/dbraw/zinc/92/41/94/505924194.db2.gz UGNLBIFFDIBSBL-HXUWFJFHSA-N 0 3 358.413 3.469 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000246505578 497757135 /nfs/dbraw/zinc/75/71/35/497757135.db2.gz GACUJTOHYROHDJ-GXFFZTMASA-N 0 3 359.348 3.026 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)nc2c1 ZINC000246525352 497763422 /nfs/dbraw/zinc/76/34/22/497763422.db2.gz JCFDHCUQUIFYDH-SUMWQHHRSA-N 0 3 356.426 3.185 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ccncc1 ZINC000299575027 497853961 /nfs/dbraw/zinc/85/39/61/497853961.db2.gz HMHGFCWEYSJFMY-QGZVFWFLSA-N 0 3 370.409 3.164 20 5 FGBDHN C[C@H](NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307076 497964084 /nfs/dbraw/zinc/96/40/84/497964084.db2.gz NEIPPCCLZPISBQ-CABCVRRESA-N 0 3 360.458 3.172 20 5 FGBDHN CC[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000296265509 497977527 /nfs/dbraw/zinc/97/75/27/497977527.db2.gz DLLOUDDFWCXPSA-YXJHDRRASA-N 0 3 353.422 3.327 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072484 498010808 /nfs/dbraw/zinc/01/08/08/498010808.db2.gz ZZTHIJQKDIOVPB-PBHICJAKSA-N 0 3 368.437 3.069 20 5 FGBDHN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)n1cncn1 ZINC000285334337 498054475 /nfs/dbraw/zinc/05/44/75/498054475.db2.gz UMLFLKPIOGWAHN-JTQLQIEISA-N 0 3 357.336 3.119 20 5 FGBDHN O=C1CC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CCC2)N1 ZINC000289399413 498132166 /nfs/dbraw/zinc/13/21/66/498132166.db2.gz NRXILCJYELUEJF-GFCCVEGCSA-N 0 3 358.225 3.193 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc(Br)cc1[N+](=O)[O-] ZINC000301577674 498171034 /nfs/dbraw/zinc/17/10/34/498171034.db2.gz OGFNMOPUBVVUCU-OLZOCXBDSA-N 0 3 354.248 3.420 20 5 FGBDHN Cc1c(NC(=O)CCN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590247 498208077 /nfs/dbraw/zinc/20/80/77/498208077.db2.gz PQTJFGYXYKQNKB-MJGOQNOKSA-N 0 3 373.453 3.265 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000301717705 498236599 /nfs/dbraw/zinc/23/65/99/498236599.db2.gz KYIKZZXEJIULQY-QAPCUYQASA-N 0 3 359.401 3.029 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000301864592 498301695 /nfs/dbraw/zinc/30/16/95/498301695.db2.gz GPZXYGJJHVXMQC-CVEARBPZSA-N 0 3 361.829 3.296 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000331481635 498346102 /nfs/dbraw/zinc/34/61/02/498346102.db2.gz JOONDPUQUWAMFB-MLGOLLRUSA-N 0 3 363.483 3.308 20 5 FGBDHN Cc1c(NC(=O)CCN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289972091 498375711 /nfs/dbraw/zinc/37/57/11/498375711.db2.gz XEWHQOKPUXOSRP-WMZOPIPTSA-N 0 3 361.442 3.121 20 5 FGBDHN COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000302063055 498391443 /nfs/dbraw/zinc/39/14/43/498391443.db2.gz RVIPWQUHVXZCBA-HKUYNNGSSA-N 0 3 354.410 3.388 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](C3CC3)[C@@]3(CO)CCCO3)o2)c1 ZINC000575889681 506027142 /nfs/dbraw/zinc/02/71/42/506027142.db2.gz DNJYIAVZAGWPSO-PMACEKPBSA-N 0 3 372.421 3.265 20 5 FGBDHN Cc1cc(N2CCN(Cc3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302153492 498419865 /nfs/dbraw/zinc/41/98/65/498419865.db2.gz IIKHOZXGUYDNHY-UHFFFAOYSA-N 0 3 363.421 3.169 20 5 FGBDHN C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN(C2CCC2)C1 ZINC000293750574 498476031 /nfs/dbraw/zinc/47/60/31/498476031.db2.gz SKNFJRPSEXLOPI-CYBMUJFWSA-N 0 3 356.426 3.023 20 5 FGBDHN COc1ccc(NC(=O)CN(C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000286718653 498485772 /nfs/dbraw/zinc/48/57/72/498485772.db2.gz GEKSOBRQPRMNQO-UHFFFAOYSA-N 0 3 357.357 3.052 20 5 FGBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@H]1C ZINC000578877112 506043217 /nfs/dbraw/zinc/04/32/17/506043217.db2.gz ZKMGBFNHBDHODM-KGLIPLIRSA-N 0 3 370.457 3.107 20 5 FGBDHN Cc1ccnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302794213 498576863 /nfs/dbraw/zinc/57/68/63/498576863.db2.gz NTDBJTNAALPSFH-QGZVFWFLSA-N 0 3 356.426 3.001 20 5 FGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000282647906 498595478 /nfs/dbraw/zinc/59/54/78/498595478.db2.gz CEPSXMUSKUFEEY-UHFFFAOYSA-N 0 3 357.248 3.340 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913943 498608287 /nfs/dbraw/zinc/60/82/87/498608287.db2.gz UCNVNFZATKHTIF-ABAIWWIYSA-N 0 3 371.359 3.170 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000366019468 498737093 /nfs/dbraw/zinc/73/70/93/498737093.db2.gz ZUDYYZRVQSETJS-ZDUSSCGKSA-N 0 3 374.372 3.258 20 5 FGBDHN CC(C)(CCc1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1)[N+](=O)[O-] ZINC000291049001 498772696 /nfs/dbraw/zinc/77/26/96/498772696.db2.gz HYNCGSNRXXHZMZ-MRXNPFEDSA-N 0 3 358.442 3.437 20 5 FGBDHN CCC[C@H](N[C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363760477 498979090 /nfs/dbraw/zinc/97/90/90/498979090.db2.gz YXUVKMQUMFWHGM-HKUYNNGSSA-N 0 3 368.437 3.335 20 5 FGBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000299403101 499049169 /nfs/dbraw/zinc/04/91/69/499049169.db2.gz HQQALVIJLQWPII-UHFFFAOYSA-N 0 3 371.441 3.114 20 5 FGBDHN CC[C@H](O)CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000291746920 499055413 /nfs/dbraw/zinc/05/54/13/499055413.db2.gz PSVBMESZSVMAEW-KRWDZBQOSA-N 0 3 360.410 3.043 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372910390 499193657 /nfs/dbraw/zinc/19/36/57/499193657.db2.gz YIIHMZMBLJRVJF-KBXCAEBGSA-N 0 3 351.410 3.413 20 5 FGBDHN CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(Cc2ccncc2)CC1 ZINC000367403918 499195239 /nfs/dbraw/zinc/19/52/39/499195239.db2.gz QGPRUFRKOLNWEZ-UHFFFAOYSA-N 0 3 358.417 3.225 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000367422828 499197473 /nfs/dbraw/zinc/19/74/73/499197473.db2.gz NORREVLVYWJCKI-BEFAXECRSA-N 0 3 358.394 3.283 20 5 FGBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cncnc2)cc1 ZINC000370365912 499213743 /nfs/dbraw/zinc/21/37/43/499213743.db2.gz HXBUJJXCGZKAPE-VLIAUNLRSA-N 0 3 364.405 3.436 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C2CCOCC2)C1 ZINC000371066487 499285619 /nfs/dbraw/zinc/28/56/19/499285619.db2.gz SCSCJCMDBVUXES-XJKSGUPXSA-N 0 3 372.425 3.454 20 5 FGBDHN CCc1nc(CN2CCC[C@@H](N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238164 499381713 /nfs/dbraw/zinc/38/17/13/499381713.db2.gz RIPDHLJJTTWCRC-WMLDXEAASA-N 0 3 373.457 3.198 20 5 FGBDHN Cc1ncc(CN2CC[C@@H](NCc3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369589682 499423562 /nfs/dbraw/zinc/42/35/62/499423562.db2.gz AVYIIWNNONDVMS-CXAGYDPISA-N 0 3 360.483 3.360 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000373079122 499450215 /nfs/dbraw/zinc/45/02/15/499450215.db2.gz IFISXAVTGIRHOY-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCc3ccccc32)cc1 ZINC000570359280 506148608 /nfs/dbraw/zinc/14/86/08/506148608.db2.gz CPWFKQKIHLRDIA-INIZCTEOSA-N 0 3 374.462 3.078 20 5 FGBDHN C[C@@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccc([N+](=O)[O-])c1 ZINC000376109059 499583751 /nfs/dbraw/zinc/58/37/51/499583751.db2.gz AWBYBEILYMZKHD-LYRGGWFBSA-N 0 3 358.398 3.426 20 5 FGBDHN CC(=O)c1cc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376174795 499588775 /nfs/dbraw/zinc/58/87/75/499588775.db2.gz UMGACAINKMDBMC-RPVQJOFSSA-N 0 3 361.442 3.099 20 5 FGBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411423114 499738340 /nfs/dbraw/zinc/73/83/40/499738340.db2.gz MFWBTMRYMLUYCJ-INIZCTEOSA-N 0 3 357.414 3.100 20 5 FGBDHN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000411883815 499799582 /nfs/dbraw/zinc/79/95/82/499799582.db2.gz DIQMIDVXJHKPEB-ZDUSSCGKSA-N 0 3 357.366 3.003 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414555971 499807997 /nfs/dbraw/zinc/80/79/97/499807997.db2.gz UZRPYFGAJFSHQP-IYICPGQYSA-N 0 3 357.454 3.475 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412333180 499845557 /nfs/dbraw/zinc/84/55/57/499845557.db2.gz GPRNQNCRSNMKFW-ZBFHGGJFSA-N 0 3 361.442 3.081 20 5 FGBDHN CN(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000412338140 499846248 /nfs/dbraw/zinc/84/62/48/499846248.db2.gz MQJGCZNHGPWHDB-IPMKNSEASA-N 0 3 371.412 3.257 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CCCN2 ZINC000415039165 499857021 /nfs/dbraw/zinc/85/70/21/499857021.db2.gz QLSDSFWNQUIWST-CQSZACIVSA-N 0 3 368.437 3.460 20 5 FGBDHN CSc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000579398840 506164772 /nfs/dbraw/zinc/16/47/72/506164772.db2.gz FNIMZECTXIKZGL-GOSISDBHSA-N 0 3 373.478 3.278 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000415756433 499917075 /nfs/dbraw/zinc/91/70/75/499917075.db2.gz FASBOEJWOCGQEO-DLBZAZTESA-N 0 3 354.410 3.116 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3ncccc23)C[C@@H](C)O1 ZINC000413183675 499923715 /nfs/dbraw/zinc/92/37/15/499923715.db2.gz IHIKXNOZNFXGGU-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN CNCc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000415948848 499931929 /nfs/dbraw/zinc/93/19/29/499931929.db2.gz YUUNDYOZTICPRK-UHFFFAOYSA-N 0 3 356.426 3.459 20 5 FGBDHN Cc1ccc(NCCCNC(=O)Nc2ccc3c(c2)CNC3)c([N+](=O)[O-])c1 ZINC000415998211 499939446 /nfs/dbraw/zinc/93/94/46/499939446.db2.gz RRGRCSNAQRYDBZ-UHFFFAOYSA-N 0 3 369.425 3.130 20 5 FGBDHN Cc1cccc(C(=O)Nc2ccc(OCCN(C)C)cc2F)c1[N+](=O)[O-] ZINC000413896533 500089776 /nfs/dbraw/zinc/08/97/76/500089776.db2.gz CKBQCVLHUWTNOL-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000425407009 500095397 /nfs/dbraw/zinc/09/53/97/500095397.db2.gz QFLYIDHQLFACJO-AWEZNQCLSA-N 0 3 354.248 3.026 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430111171 500194258 /nfs/dbraw/zinc/19/42/58/500194258.db2.gz OOUHQRLAANFWEQ-FQEVSTJZSA-N 0 3 354.406 3.220 20 5 FGBDHN Cc1cc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000426326144 500260666 /nfs/dbraw/zinc/26/06/66/500260666.db2.gz XIRLNXXTQUQZHZ-HNNXBMFYSA-N 0 3 369.469 3.404 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430883653 500301887 /nfs/dbraw/zinc/30/18/87/500301887.db2.gz RNVLXSQKUOFVCY-QGZVFWFLSA-N 0 3 353.422 3.388 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431778741 500423707 /nfs/dbraw/zinc/42/37/07/500423707.db2.gz MVYXQVJHTADZHQ-CABCVRRESA-N 0 3 362.474 3.250 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000423978176 500428738 /nfs/dbraw/zinc/42/87/38/500428738.db2.gz OBZZZSONVIWGDL-MRXNPFEDSA-N 0 3 359.451 3.309 20 5 FGBDHN CN(C)[C@@H](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000431818019 500428842 /nfs/dbraw/zinc/42/88/42/500428842.db2.gz MHPONGVEOZECAJ-INIZCTEOSA-N 0 3 353.382 3.103 20 5 FGBDHN CN1CC[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000424317215 500485679 /nfs/dbraw/zinc/48/56/79/500485679.db2.gz DWHWWIJSMFMZPG-YWZLYKJASA-N 0 3 353.422 3.142 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000428685478 500542844 /nfs/dbraw/zinc/54/28/44/500542844.db2.gz XQHGTKNQXJHYFN-GOSISDBHSA-N 0 3 370.453 3.310 20 5 FGBDHN COC1([C@@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOCC1 ZINC000421032845 500560227 /nfs/dbraw/zinc/56/02/27/500560227.db2.gz MHYYWMIKXZDWRG-LLVKDONJSA-N 0 3 362.348 3.287 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200924 500613069 /nfs/dbraw/zinc/61/30/69/500613069.db2.gz VUVNZYUYDCGXFB-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN CC(=O)Nc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447528733 500617933 /nfs/dbraw/zinc/61/79/33/500617933.db2.gz 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IVIQUXCIQUOTRH-FUHWJXTLSA-N 0 3 350.415 3.061 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3cccc(F)c3F)CC2)c1 ZINC000451961903 501408784 /nfs/dbraw/zinc/40/87/84/501408784.db2.gz VAOSAZJAKLABAV-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)cc([N+](=O)[O-])c1OC ZINC000458295459 501414637 /nfs/dbraw/zinc/41/46/37/501414637.db2.gz WQLVXYQFDLJLDX-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN CCO[C@@H]1CCC[C@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000452016759 501418891 /nfs/dbraw/zinc/41/88/91/501418891.db2.gz OHRKLVGHZXONEL-TZMCWYRMSA-N 0 3 374.384 3.295 20 5 FGBDHN C[C@H](NC(=O)c1ccccc1OCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000452183988 501456325 /nfs/dbraw/zinc/45/63/25/501456325.db2.gz QOKHWZYHKAEDKP-AWEZNQCLSA-N 0 3 357.410 3.026 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000582506769 506261607 /nfs/dbraw/zinc/26/16/07/506261607.db2.gz RPTDALAAMBYSCE-DNVCBOLYSA-N 0 3 353.422 3.296 20 5 FGBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(CC(F)(F)F)CC1 ZINC000602685791 506262946 /nfs/dbraw/zinc/26/29/46/506262946.db2.gz MGSVTTCOPOLRTL-UHFFFAOYSA-N 0 3 372.347 3.195 20 5 FGBDHN C[C@@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000454801078 501632611 /nfs/dbraw/zinc/63/26/11/501632611.db2.gz BOQPWSKRINAIKL-ZDUSSCGKSA-N 0 3 358.398 3.459 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3C[C@]3(F)c3ccccc3)CC2)cn1 ZINC000602692670 506264840 /nfs/dbraw/zinc/26/48/40/506264840.db2.gz ABMCGMZNQGUKBG-HKUYNNGSSA-N 0 3 356.401 3.186 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C(C)C)C1(CO)CCCC1 ZINC000459523078 501669155 /nfs/dbraw/zinc/66/91/55/501669155.db2.gz FURMBGIRZDLXES-GOSISDBHSA-N 0 3 363.458 3.009 20 5 FGBDHN CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000460580977 501867351 /nfs/dbraw/zinc/86/73/51/501867351.db2.gz GHZGYJHZXKQQBY-UHFFFAOYSA-N 0 3 372.473 3.041 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CCO)(CCO)CC3)o2)cc1 ZINC000602732491 506278704 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FGBDHN O=C1Nc2ccccc2C[C@@H]1N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599074087 506310084 /nfs/dbraw/zinc/31/00/84/506310084.db2.gz LCQBYBYUVVQBEE-BJZITVGISA-N 0 3 365.433 3.459 20 5 FGBDHN COc1cc(CNCCC(C)(C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000479876788 502405728 /nfs/dbraw/zinc/40/57/28/502405728.db2.gz VFZHRIOMKRRWDM-UHFFFAOYSA-N 0 3 374.437 3.433 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(Br)cc1 ZINC000602818763 506313857 /nfs/dbraw/zinc/31/38/57/506313857.db2.gz OUHIRXZSXFKIEH-JTQLQIEISA-N 0 3 353.220 3.213 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693755 502535492 /nfs/dbraw/zinc/53/54/92/502535492.db2.gz ZNYBOXJHVAQWDG-RHSMWYFYSA-N 0 3 363.421 3.470 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)CC2CCCC2)c1 ZINC000466424084 502567699 /nfs/dbraw/zinc/56/76/99/502567699.db2.gz FOBIXSLZGGESJN-ZDUSSCGKSA-N 0 3 358.385 3.475 20 5 FGBDHN C[C@H](NC(=O)CCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000473333448 502567696 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FGBDHN CN(C)CCOc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000488066045 502617387 /nfs/dbraw/zinc/61/73/87/502617387.db2.gz DEGBLCMPHRGMSJ-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN CS[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000473532153 502626085 /nfs/dbraw/zinc/62/60/85/502626085.db2.gz MKPJWALBFHMGAT-IAGOWNOFSA-N 0 3 358.467 3.159 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470169413 502691027 /nfs/dbraw/zinc/69/10/27/502691027.db2.gz XUVKTMHGFWEQLZ-AWEZNQCLSA-N 0 3 371.359 3.360 20 5 FGBDHN CNC(=O)c1ccc(CN(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000470172764 502693056 /nfs/dbraw/zinc/69/30/56/502693056.db2.gz BNKTUPPFEPIWCK-RVDMUPIBSA-N 0 3 353.422 3.490 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000484669001 502703012 /nfs/dbraw/zinc/70/30/12/502703012.db2.gz IZNMZXHQVMQZRF-UHFFFAOYSA-N 0 3 362.474 3.045 20 5 FGBDHN Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)ccc1[N+](=O)[O-] ZINC000488672587 502778061 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503037626 /nfs/dbraw/zinc/03/76/26/503037626.db2.gz RWWFRRAWQYTAQK-FQEVSTJZSA-N 0 3 354.454 3.386 20 5 FGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC[C@@H]1C ZINC000497924257 503067746 /nfs/dbraw/zinc/06/77/46/503067746.db2.gz HNMFIAQDQCCMCO-UONOGXRCSA-N 0 3 356.426 3.136 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507100944 503231345 /nfs/dbraw/zinc/23/13/45/503231345.db2.gz IMACREJLGPDODM-UHFFFAOYSA-N 0 3 373.478 3.437 20 5 FGBDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759454 503258369 /nfs/dbraw/zinc/25/83/69/503258369.db2.gz VUSJYFHSHPQOBK-XYPHTWIQSA-N 0 3 354.834 3.000 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000515151874 503281400 /nfs/dbraw/zinc/28/14/00/503281400.db2.gz GQKONAGGRRLMES-UHFFFAOYSA-N 0 3 372.425 3.199 20 5 FGBDHN COC(=O)C(C)(C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000499235587 503361233 /nfs/dbraw/zinc/36/12/33/503361233.db2.gz UOWGRUJKGLRRHI-UHFFFAOYSA-N 0 3 362.382 3.152 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC000593069762 506373123 /nfs/dbraw/zinc/37/31/23/506373123.db2.gz UNLYIPKWWRODOP-NHCUHLMSSA-N 0 3 367.449 3.070 20 5 FGBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1nc(-c2ccccc2)no1 ZINC000512188245 503480728 /nfs/dbraw/zinc/48/07/28/503480728.db2.gz XLLVOQIYDPLDRG-UHFFFAOYSA-N 0 3 368.393 3.198 20 5 FGBDHN COc1cc(CN[C@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000512198345 503484198 /nfs/dbraw/zinc/48/41/98/503484198.db2.gz AYYJWJQKQOVFIP-KOLCDFICSA-N 0 3 362.398 3.088 20 5 FGBDHN CCn1cc(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593079186 506380966 /nfs/dbraw/zinc/38/09/66/506380966.db2.gz HYEFKRWSRNFORJ-UHFFFAOYSA-N 0 3 359.430 3.050 20 5 FGBDHN CS[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000494707862 503597602 /nfs/dbraw/zinc/59/76/02/503597602.db2.gz LHFVJQPSVPKBBN-HOTGVXAUSA-N 0 3 355.891 3.260 20 5 FGBDHN C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000516886574 503608820 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FGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](COc2ccccc2)c2ccccc2)n1 ZINC000537116628 503806846 /nfs/dbraw/zinc/80/68/46/503806846.db2.gz MEMGOVUIDIGKPK-SFHVURJKSA-N 0 3 352.394 3.201 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000537290112 503870164 /nfs/dbraw/zinc/87/01/64/503870164.db2.gz JFWVYGQBLMZNMJ-FQEVSTJZSA-N 0 3 370.405 3.486 20 5 FGBDHN COC(=O)COc1ccc(CNC2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000517970377 503877812 /nfs/dbraw/zinc/87/78/12/503877812.db2.gz YNPATFZLGWWOJY-UHFFFAOYSA-N 0 3 350.415 3.061 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000543798881 503897118 /nfs/dbraw/zinc/89/71/18/503897118.db2.gz JVRSSDMJSUZVLX-UHFFFAOYSA-N 0 3 371.384 3.143 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000543811782 503902914 /nfs/dbraw/zinc/90/29/14/503902914.db2.gz XTVMEDUOXQCBQQ-MRXNPFEDSA-N 0 3 370.327 3.316 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000533808703 503957667 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FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000542612443 504552148 /nfs/dbraw/zinc/55/21/48/504552148.db2.gz JYUKJELTMTZLSW-LRDNONRASA-N 0 3 369.421 3.385 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542623209 504557824 /nfs/dbraw/zinc/55/78/24/504557824.db2.gz QOCCFWWPDAPHQO-MNVSYLFESA-N 0 3 369.421 3.385 20 5 FGBDHN C[C@@H](NCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000532201034 504570610 /nfs/dbraw/zinc/57/06/10/504570610.db2.gz YXTAZBORIDJEGB-QGZVFWFLSA-N 0 3 354.454 3.068 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1 ZINC000545834593 504609206 /nfs/dbraw/zinc/60/92/06/504609206.db2.gz SFSYUHZWCKOSHY-JFDUVMPXSA-N 0 3 371.372 3.143 20 5 FGBDHN COc1ccc(-c2ccc(CNCCNc3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000539709624 504661902 /nfs/dbraw/zinc/66/19/02/504661902.db2.gz JITZTJVBBZHYLR-UHFFFAOYSA-N 0 3 368.393 3.460 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)n1 ZINC000543050887 504704405 /nfs/dbraw/zinc/70/44/05/504704405.db2.gz AMTISTWSTMNEDY-QGZVFWFLSA-N 0 3 371.828 3.413 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000521588797 504761401 /nfs/dbraw/zinc/76/14/01/504761401.db2.gz KCUMFBBBPXYXHU-UYAOXDASSA-N 0 3 370.449 3.289 20 5 FGBDHN COc1cc(CN2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000565800998 504990750 /nfs/dbraw/zinc/99/07/50/504990750.db2.gz JWOMUXPGJOZWNF-ZFWWWQNUSA-N 0 3 352.431 3.128 20 5 FGBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000556914768 505015467 /nfs/dbraw/zinc/01/54/67/505015467.db2.gz CMUOOUDYILAKAE-NVXWUHKLSA-N 0 3 360.458 3.234 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000556968421 505034346 /nfs/dbraw/zinc/03/43/46/505034346.db2.gz YXTWKVSRCNRFGR-AWEZNQCLSA-N 0 3 360.410 3.458 20 5 FGBDHN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000560514256 505110349 /nfs/dbraw/zinc/11/03/49/505110349.db2.gz IVLAOFAQLQXUDY-JTDSTZFVSA-N 0 3 371.485 3.270 20 5 FGBDHN C[C@@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000566319498 505144049 /nfs/dbraw/zinc/14/40/49/505144049.db2.gz FTVPFNWQVARHEH-OAQYLSRUSA-N 0 3 367.449 3.308 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2cccc3ccccc32)c1 ZINC000561442774 505346955 /nfs/dbraw/zinc/34/69/55/505346955.db2.gz DYHGWLCCOQHJPA-GOSISDBHSA-N 0 3 352.390 3.278 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000567061734 505352603 /nfs/dbraw/zinc/35/26/03/505352603.db2.gz DDZRZEXAIVQTGC-GPZRYRNASA-N 0 3 357.454 3.235 20 5 FGBDHN COc1ccc(-c2ccc(CNC[C@H](C)Cn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000555190954 505375320 /nfs/dbraw/zinc/37/53/20/505375320.db2.gz VEUDZBHAZBMOCX-AWEZNQCLSA-N 0 3 370.409 3.486 20 5 FGBDHN COC(=O)COc1ccc(CN(C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000558424054 505385325 /nfs/dbraw/zinc/38/53/25/505385325.db2.gz UGEIPCSKHNAOHL-UHFFFAOYSA-N 0 3 372.368 3.156 20 5 FGBDHN CCC[C@@H](NCc1cccc(OCC(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000552075153 505391278 /nfs/dbraw/zinc/39/12/78/505391278.db2.gz MDKWXDJOSDLPMR-LJQANCHMSA-N 0 3 371.437 3.351 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000561671389 505405661 /nfs/dbraw/zinc/40/56/61/505405661.db2.gz CUWFHDQOZQAXFK-QGZVFWFLSA-N 0 3 373.457 3.377 20 5 FGBDHN COCCO[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000555339593 505411872 /nfs/dbraw/zinc/41/18/72/505411872.db2.gz GBNQTPHELCPMMG-QGZVFWFLSA-N 0 3 360.410 3.482 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000561773734 505434305 /nfs/dbraw/zinc/43/43/05/505434305.db2.gz IIHYAIZLJXXMQC-GOSISDBHSA-N 0 3 363.483 3.265 20 5 FGBDHN Cc1cc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558888117 505521148 /nfs/dbraw/zinc/52/11/48/505521148.db2.gz XDEMAROQFFDZOH-UHFFFAOYSA-N 0 3 374.407 3.360 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(c3ccncc3)CC2)c1 ZINC000603084513 506414880 /nfs/dbraw/zinc/41/48/80/506414880.db2.gz RGMBBTRFVLXZAX-UHFFFAOYSA-N 0 3 372.450 3.064 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CC1CC1)c1ccccc1 ZINC000612118719 506445469 /nfs/dbraw/zinc/44/54/69/506445469.db2.gz COYHSICDAKXJIA-ROUUACIJSA-N 0 3 356.422 3.466 20 5 FGBDHN COCCCN(C)CCOc1ccc(-c2cnc(C)c([N+](=O)[O-])c2)cc1 ZINC000596627928 506498316 /nfs/dbraw/zinc/49/83/16/506498316.db2.gz KAEAFBFDWHULEW-UHFFFAOYSA-N 0 3 359.426 3.312 20 5 FGBDHN COc1cc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000599626643 506538448 /nfs/dbraw/zinc/53/84/48/506538448.db2.gz XWUOAVPRLPRYCI-UCSBCBTLSA-N 0 3 374.384 3.149 20 5 FGBDHN C[C@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000593338127 506553684 /nfs/dbraw/zinc/55/36/84/506553684.db2.gz WFUQUEWWADOUOP-FQEVSTJZSA-N 0 3 371.412 3.057 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000589496448 506567924 /nfs/dbraw/zinc/56/79/24/506567924.db2.gz VGADSKWTXFXGCL-INIZCTEOSA-N 0 3 354.406 3.446 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599780322 506632627 /nfs/dbraw/zinc/63/26/27/506632627.db2.gz OTRWZWLQJVGTIT-HNNXBMFYSA-N 0 3 362.430 3.132 20 5 FGBDHN CCN1C[C@H](CN(C)CCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000603855641 506637213 /nfs/dbraw/zinc/63/72/13/506637213.db2.gz SUFWXQIAOVGONP-SFHVURJKSA-N 0 3 355.438 3.357 20 5 FGBDHN O=[N+]([O-])c1ncccc1NCCCCN1CCN(c2ccccc2)CC1 ZINC000603868715 506642185 /nfs/dbraw/zinc/64/21/85/506642185.db2.gz OYATXQJQVBIQRY-UHFFFAOYSA-N 0 3 355.442 3.004 20 5 FGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(C)CC1 ZINC000599829560 506661734 /nfs/dbraw/zinc/66/17/34/506661734.db2.gz IHXPUCCWKCDVNI-CQSZACIVSA-N 0 3 371.441 3.385 20 5 FGBDHN CC(C)O[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000593656919 506716380 /nfs/dbraw/zinc/71/63/80/506716380.db2.gz BIMCNXKDCZNFGR-GOSISDBHSA-N 0 3 358.442 3.385 20 5 FGBDHN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)CC1 ZINC000604200303 506748741 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370.453 3.231 20 5 FGBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228507 506859850 /nfs/dbraw/zinc/85/98/50/506859850.db2.gz CIJSWZCUGVEFAJ-SFHVURJKSA-N 0 3 373.453 3.081 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000590575426 506866372 /nfs/dbraw/zinc/86/63/72/506866372.db2.gz ZEDHJJAYTUXSSY-CYBMUJFWSA-N 0 3 374.407 3.299 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCc2sccc2C1 ZINC000609767177 506994004 /nfs/dbraw/zinc/99/40/04/506994004.db2.gz FRIZUBPPMAXPIV-UHFFFAOYSA-N 0 3 373.434 3.403 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000609783866 506999086 /nfs/dbraw/zinc/99/90/86/506999086.db2.gz ROWKDBYGTTZNAN-INIZCTEOSA-N 0 3 373.840 3.181 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594196775 507001590 /nfs/dbraw/zinc/00/15/90/507001590.db2.gz MNGRRQJRGJQDRC-BHIYHBOVSA-N 0 3 359.470 3.297 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000594198644 507002357 /nfs/dbraw/zinc/00/23/57/507002357.db2.gz UDQDEAZXECPPIM-QWHCGFSZSA-N 0 3 371.359 3.360 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916494 507048486 /nfs/dbraw/zinc/04/84/86/507048486.db2.gz UMLDKHSQPHQJCW-LPHOPBHVSA-N 0 3 374.412 3.038 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594283359 507061657 /nfs/dbraw/zinc/06/16/57/507061657.db2.gz GMCUUBPTGDGZNL-RBUKOAKNSA-N 0 3 372.469 3.286 20 5 FGBDHN CC(C)(NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594283371 507062134 /nfs/dbraw/zinc/06/21/34/507062134.db2.gz GSDWRTRQUDZHBD-IRXDYDNUSA-N 0 3 360.458 3.146 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284480 507062905 /nfs/dbraw/zinc/06/29/05/507062905.db2.gz YXHADVCHKGUCDW-MJGOQNOKSA-N 0 3 372.469 3.286 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284478 507063865 /nfs/dbraw/zinc/06/38/65/507063865.db2.gz YXHADVCHKGUCDW-HKUYNNGSSA-N 0 3 372.469 3.286 20 5 FGBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC000597716999 507072683 /nfs/dbraw/zinc/07/26/83/507072683.db2.gz VPETYWDATJEMSV-HXUWFJFHSA-N 0 3 359.470 3.450 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2NC1=O ZINC000594510305 507161618 /nfs/dbraw/zinc/16/16/18/507161618.db2.gz IFVOAUSNOWWGQD-KBXCAEBGSA-N 0 3 353.422 3.459 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000584312658 507272125 /nfs/dbraw/zinc/27/21/25/507272125.db2.gz HIAULTQXZGVMJZ-AWEZNQCLSA-N 0 3 351.838 3.488 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCN(c3ccccc3)CC2)c(F)c1 ZINC000601149444 507277237 /nfs/dbraw/zinc/27/72/37/507277237.db2.gz LMJNLLVWOHBXFS-UHFFFAOYSA-N 0 3 373.428 3.245 20 5 FGBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598195839 507308080 /nfs/dbraw/zinc/30/80/80/507308080.db2.gz UJOZNPLZYVRSAG-MRXNPFEDSA-N 0 3 359.451 3.045 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCC(C3CCC3)CC2)cc1 ZINC000594941896 507324021 /nfs/dbraw/zinc/32/40/21/507324021.db2.gz BVIXNYAJSGUXSZ-UHFFFAOYSA-N 0 3 366.483 3.317 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCOCC1CCOCC1 ZINC000595008630 507352732 /nfs/dbraw/zinc/35/27/32/507352732.db2.gz PBERGEOEHZIHCU-CQSZACIVSA-N 0 3 352.431 3.087 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(Cc2ccccn2)CC1 ZINC000595013667 507353098 /nfs/dbraw/zinc/35/30/98/507353098.db2.gz RAAFANLDXOMDRW-HNNXBMFYSA-N 0 3 370.453 3.314 20 5 FGBDHN CCc1ccc(C(=O)Nc2ccc(CN(C)C)cc2OC)cc1[N+](=O)[O-] ZINC000601621933 507405844 /nfs/dbraw/zinc/40/58/44/507405844.db2.gz PPBLPPHLJGQHQF-UHFFFAOYSA-N 0 3 357.410 3.480 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258842 507443215 /nfs/dbraw/zinc/44/32/15/507443215.db2.gz XLGRANGVROSEEB-SFHVURJKSA-N 0 3 355.394 3.125 20 5 FGBDHN CCOC(=O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130769 507496982 /nfs/dbraw/zinc/49/69/82/507496982.db2.gz NFUGZDLIYISLHS-QAQDUYKDSA-N 0 3 364.442 3.044 20 5 FGBDHN COc1ccc(OCCN2CCC([C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000595790486 507686740 /nfs/dbraw/zinc/68/67/40/507686740.db2.gz VWFADULLEZWZIP-GOSISDBHSA-N 0 3 364.442 3.263 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCCC2)OC[C@H]1C ZINC000595815622 507697097 /nfs/dbraw/zinc/69/70/97/507697097.db2.gz OVNUNFSUVMPGSL-OAHLLOKOSA-N 0 3 361.442 3.265 20 5 FGBDHN COC(=O)COc1ccc(CN2CCCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592529140 507697904 /nfs/dbraw/zinc/69/79/04/507697904.db2.gz LJSNICUUJUQKCC-MRXNPFEDSA-N 0 3 362.426 3.301 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCN(c4ccccc4)C3)C2)nc1 ZINC000602472099 507719119 /nfs/dbraw/zinc/71/91/19/507719119.db2.gz GQAQNTAJEOVFPU-DLBZAZTESA-N 0 3 367.453 3.003 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCN(Cc4ccccc4)C3)nc2c1 ZINC000602500322 507729878 /nfs/dbraw/zinc/72/98/78/507729878.db2.gz YYDYISIIPBLHTK-OAHLLOKOSA-N 0 3 352.394 3.100 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCN3CCCC[C@@H]23)cc1Br ZINC000602514707 507733648 /nfs/dbraw/zinc/73/36/48/507733648.db2.gz PPNRZCRPCFXWDS-NEPJUHHUSA-N 0 3 360.277 3.135 20 5 FGBDHN COc1cccc(F)c1[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602556725 507748025 /nfs/dbraw/zinc/74/80/25/507748025.db2.gz LVTYENZWOOOVJN-CYBMUJFWSA-N 0 3 374.416 3.457 20 5 FGBDHN C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736136728 598355418 /nfs/dbraw/zinc/35/54/18/598355418.db2.gz TXXMFZXNKMQQQS-AGLBCWCQSA-N 0 3 350.382 3.139 20 5 FGBDHN C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820418398 599394335 /nfs/dbraw/zinc/39/43/35/599394335.db2.gz AGLFUCMLPLEKGB-WYOARUQKSA-N 0 3 350.382 3.139 20 5 FGBDHN C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820418398 599394337 /nfs/dbraw/zinc/39/43/37/599394337.db2.gz AGLFUCMLPLEKGB-WYOARUQKSA-N 0 3 350.382 3.139 20 5 FGBDHN Cc1ccc(Sc2ccc(CNCCOCCO)cc2[N+](=O)[O-])cc1 ZINC000237775967 713597108 /nfs/dbraw/zinc/59/71/08/713597108.db2.gz RTRASVYFMCWOMP-UHFFFAOYSA-N 0 3 362.451 3.153 20 5 FGBDHN COc1cc(CNCC(C)(C)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000779085786 724388901 /nfs/dbraw/zinc/38/89/01/724388901.db2.gz FWBUUBZVUHLHDE-UHFFFAOYSA-N 0 3 364.414 3.479 20 5 FGBDHN CC(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC1 ZINC000756997760 722973157 /nfs/dbraw/zinc/97/31/57/722973157.db2.gz UZIXGYOFNLMJGM-MRXNPFEDSA-N 0 3 353.850 3.375 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790583656 723155589 /nfs/dbraw/zinc/15/55/89/723155589.db2.gz NZKDPZNOAQSGEO-OAHLLOKOSA-N 0 3 371.840 3.166 20 5 FGBDHN COc1cc(F)c([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000768535850 723660732 /nfs/dbraw/zinc/66/07/32/723660732.db2.gz QXQTVOVTDDIYSQ-BETUJISGSA-N 0 3 355.410 3.044 20 5 FGBDHN COc1ccc(CNC[C@H](O)c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000774614599 723910507 /nfs/dbraw/zinc/91/05/07/723910507.db2.gz UAJBBXOIJUCTKZ-HNNXBMFYSA-N 0 3 354.765 3.219 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(F)cc(Br)c2)cc1 ZINC000776277448 724127240 /nfs/dbraw/zinc/12/72/40/724127240.db2.gz POWYSVZOBQEHPA-HNNXBMFYSA-N 0 3 369.190 3.320 20 5 FGBDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000776828082 724187002 /nfs/dbraw/zinc/18/70/02/724187002.db2.gz OOWZZXMENSUHDZ-QWHCGFSZSA-N 0 3 353.394 3.081 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778262284 724316328 /nfs/dbraw/zinc/31/63/28/724316328.db2.gz SFBKIRBXARFTPJ-CHWSQXEVSA-N 0 3 355.385 3.066 20 5 FGBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000788415954 725063357 /nfs/dbraw/zinc/06/33/57/725063357.db2.gz IBLVKFDBGFMMBU-UHFFFAOYSA-N 0 3 370.814 3.078 20 5 FGBDHN O=C1CCCCN1CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811478902 725368376 /nfs/dbraw/zinc/36/83/76/725368376.db2.gz RDCFPELWKQJEMN-UHFFFAOYSA-N 0 3 360.241 3.394 20 5 FGBDHN Cc1nc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2n1Cc1ccsc1 ZINC000813104622 726839517 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FGBDHN CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831343015 729634627 /nfs/dbraw/zinc/63/46/27/729634627.db2.gz FPWVCCFKLTWPMY-NCAQKEMTSA-N 0 3 369.849 3.368 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C2CC2)cc1Cl ZINC000836785080 729969860 /nfs/dbraw/zinc/96/98/60/729969860.db2.gz LYSOKSOIRWBSQK-CYBMUJFWSA-N 0 3 351.834 3.303 20 5 FGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC000845577860 730867613 /nfs/dbraw/zinc/86/76/13/730867613.db2.gz YZMYVTSXISNMRF-SNVBAGLBSA-N 0 3 357.288 3.022 20 5 FGBDHN CC(COC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[N+](=O)[O-] ZINC000851037181 731416013 /nfs/dbraw/zinc/41/60/13/731416013.db2.gz RPTMPVIODZQFNK-SNVBAGLBSA-N 0 3 372.805 3.438 20 5 FGBDHN COc1c(O)ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405882 742407581 /nfs/dbraw/zinc/40/75/81/742407581.db2.gz QMERNCHPIISXSY-XJKSGUPXSA-N 0 3 350.415 3.090 20 5 FGBDHN CC(C)(C)[C@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640827 743142240 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FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOC[C@H]2CCOC2)s1 ZINC000068992624 493904704 /nfs/dbraw/zinc/90/47/04/493904704.db2.gz CCQKXSIYDUWUDN-AWEZNQCLSA-N 0 3 362.451 3.466 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccco2)C2CCCC2)c1 ZINC000052076535 494003677 /nfs/dbraw/zinc/00/36/77/494003677.db2.gz UYGHIOBYMILEMT-QGZVFWFLSA-N 0 3 360.410 3.372 20 5 FGBDHN O=C(Nc1ccccc1)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052314971 494018240 /nfs/dbraw/zinc/01/82/40/494018240.db2.gz JSNIPJAMUNXWQZ-INIZCTEOSA-N 0 3 369.421 3.324 20 5 FGBDHN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322482 494058014 /nfs/dbraw/zinc/05/80/14/494058014.db2.gz TVFZATJJGLZBNQ-VHSSKADRSA-N 0 3 361.442 3.059 20 5 FGBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000084250834 494060383 /nfs/dbraw/zinc/06/03/83/494060383.db2.gz XXAAPQXAKRMMOE-UHFFFAOYSA-N 0 3 353.469 3.230 20 5 FGBDHN CN1CCC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000568471693 505702376 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C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000054286989 494217464 /nfs/dbraw/zinc/21/74/64/494217464.db2.gz RTNDDAWSJCVSMG-GFCCVEGCSA-N 0 3 353.850 3.489 20 5 FGBDHN CN(C)CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000065746208 494232995 /nfs/dbraw/zinc/23/29/95/494232995.db2.gz JMLOXZQYXKBHLY-UHFFFAOYSA-N 0 3 372.469 3.272 20 5 FGBDHN COC[C@@H](C)NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000072714137 494236991 /nfs/dbraw/zinc/23/69/91/494236991.db2.gz GZEAUGMGODYAHA-CQSZACIVSA-N 0 3 360.410 3.307 20 5 FGBDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078486655 494305404 /nfs/dbraw/zinc/30/54/04/494305404.db2.gz MOMXFMRBJQHMGT-WFASDCNBSA-N 0 3 366.364 3.306 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000073310928 494356025 /nfs/dbraw/zinc/35/60/25/494356025.db2.gz SJJKJQLDPOYMST-WMZOPIPTSA-N 0 3 351.406 3.351 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(CCc3ccccc3)CC2)cc1 ZINC000055900426 494424688 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366.483 3.308 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000056889207 494585168 /nfs/dbraw/zinc/58/51/68/494585168.db2.gz GIKIBMFIXSQFEP-HNNXBMFYSA-N 0 3 374.441 3.331 20 5 FGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724254 494624949 /nfs/dbraw/zinc/62/49/49/494624949.db2.gz DUWCYYXILFARFR-UHFFFAOYSA-N 0 3 374.416 3.007 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000057136514 494651932 /nfs/dbraw/zinc/65/19/32/494651932.db2.gz RHWOAIIECKQQDH-UHFFFAOYSA-N 0 3 352.316 3.335 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108329425 494683395 /nfs/dbraw/zinc/68/33/95/494683395.db2.gz FLZPKSUAYFLZQI-OAHLLOKOSA-N 0 3 368.437 3.410 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000047453246 494712995 /nfs/dbraw/zinc/71/29/95/494712995.db2.gz MUVRAYQAUAKPCG-UHFFFAOYSA-N 0 3 354.410 3.483 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000080686052 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366.414 3.384 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000027749785 494883761 /nfs/dbraw/zinc/88/37/61/494883761.db2.gz WRTJLGACIQJOCN-KGLIPLIRSA-N 0 3 351.472 3.066 20 5 FGBDHN Cc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000121944001 494896010 /nfs/dbraw/zinc/89/60/10/494896010.db2.gz MQZQDEMVFMDFJY-UHFFFAOYSA-N 0 3 357.410 3.233 20 5 FGBDHN O=C(CN[C@H]1CCC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000133816445 495065390 /nfs/dbraw/zinc/06/53/90/495065390.db2.gz FIYBHPQVJBHLCW-OALUTQOASA-N 0 3 365.433 3.410 20 5 FGBDHN CC[C@](C)(O)CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000111384310 495070245 /nfs/dbraw/zinc/07/02/45/495070245.db2.gz ZYWDEBFBMRIZKX-FQEVSTJZSA-N 0 3 374.437 3.433 20 5 FGBDHN C[C@@H](CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102424299 495136324 /nfs/dbraw/zinc/13/63/24/495136324.db2.gz HWWXCCRTODUJCU-SNVBAGLBSA-N 0 3 369.215 3.335 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000128937255 495170772 /nfs/dbraw/zinc/17/07/72/495170772.db2.gz LSAKRYZPNMOEGF-IYBDPMFKSA-N 0 3 362.474 3.014 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515515 495181411 /nfs/dbraw/zinc/18/14/11/495181411.db2.gz ZOELKOBVYDJAEG-RDJZCZTQSA-N 0 3 359.470 3.449 20 5 FGBDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000103113240 495193381 /nfs/dbraw/zinc/19/33/81/495193381.db2.gz ZKAUHZPDDPAVPQ-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN CCCCN(C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112466504 495195761 /nfs/dbraw/zinc/19/57/61/495195761.db2.gz BXYUAZPLDIBZAR-UHFFFAOYSA-N 0 3 360.361 3.050 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000103603890 495249273 /nfs/dbraw/zinc/24/92/73/495249273.db2.gz DJNDXACPQNXJPB-INIZCTEOSA-N 0 3 362.474 3.247 20 5 FGBDHN O=C(CCN(Cc1cccnc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129499575 495253980 /nfs/dbraw/zinc/25/39/80/495253980.db2.gz CJKHTIFZJUEIPX-UHFFFAOYSA-N 0 3 358.373 3.122 20 5 FGBDHN Cc1ccc(C[C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000113264450 495291218 /nfs/dbraw/zinc/29/12/18/495291218.db2.gz RXSJCMCYOMMMSU-SFHVURJKSA-N 0 3 353.422 3.209 20 5 FGBDHN COc1ccccc1CCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104711130 495299162 /nfs/dbraw/zinc/29/91/62/495299162.db2.gz FWCSLEOQKFXKRR-UHFFFAOYSA-N 0 3 371.437 3.415 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCC[C@H](C)C1 ZINC000120570283 495407509 /nfs/dbraw/zinc/40/75/09/495407509.db2.gz ZTKNUQFCFNHYNF-HOTGVXAUSA-N 0 3 374.485 3.389 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000114710151 495412487 /nfs/dbraw/zinc/41/24/87/495412487.db2.gz HZQZWGUROOXWAU-QGZVFWFLSA-N 0 3 368.437 3.031 20 5 FGBDHN C[C@H](NCCCN1C(=O)COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173444756 495532515 /nfs/dbraw/zinc/53/25/15/495532515.db2.gz PIYASMBTKOQDMX-AWEZNQCLSA-N 0 3 355.394 3.061 20 5 FGBDHN C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000158599519 495547175 /nfs/dbraw/zinc/54/71/75/495547175.db2.gz DQBKGJLSYXSJEX-MGPUTAFESA-N 0 3 373.428 3.458 20 5 FGBDHN Cc1c([C@@H](C)NC[C@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000158704283 495571542 /nfs/dbraw/zinc/57/15/42/495571542.db2.gz QHGRYLWPAIYUAF-MJGOQNOKSA-N 0 3 369.465 3.455 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC000147251430 495573583 /nfs/dbraw/zinc/57/35/83/495573583.db2.gz YPZRQJZPECDIKE-HNNXBMFYSA-N 0 3 367.405 3.228 20 5 FGBDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000182533730 495603392 /nfs/dbraw/zinc/60/33/92/495603392.db2.gz LPLPQOJZIJDOMD-ZDUSSCGKSA-N 0 3 370.409 3.233 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000154414514 495609713 /nfs/dbraw/zinc/60/97/13/495609713.db2.gz SENFMLZQYALGLO-PMACEKPBSA-N 0 3 356.422 3.000 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185535104 495613710 /nfs/dbraw/zinc/61/37/10/495613710.db2.gz CMMIXDFDKAFAGZ-CABCVRRESA-N 0 3 373.428 3.474 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179552510 495637559 /nfs/dbraw/zinc/63/75/59/495637559.db2.gz YJJYKMYEKWTIGR-UHFFFAOYSA-N 0 3 364.405 3.135 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000150966470 495697036 /nfs/dbraw/zinc/69/70/36/495697036.db2.gz KTLNFUVLGFMLMZ-HZPDHXFCSA-N 0 3 374.485 3.389 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179746473 495715923 /nfs/dbraw/zinc/71/59/23/495715923.db2.gz KCLCQKDFPSOMRS-XLIONFOSSA-N 0 3 370.405 3.140 20 5 FGBDHN C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000151055210 495725483 /nfs/dbraw/zinc/72/54/83/495725483.db2.gz WEWUTCWNCLIPND-OCCSQVGLSA-N 0 3 358.467 3.433 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN(CCOC(C)C)CC1 ZINC000176740084 495769609 /nfs/dbraw/zinc/76/96/09/495769609.db2.gz XYBXPEYNKPWPSX-UHFFFAOYSA-N 0 3 351.447 3.043 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000185970620 495803447 /nfs/dbraw/zinc/80/34/47/495803447.db2.gz HVTTUYMYEYRTTJ-HNNXBMFYSA-N 0 3 359.451 3.349 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@@H]4OCC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574573442 505805650 /nfs/dbraw/zinc/80/56/50/505805650.db2.gz NHCGOQPSBJQVEG-ACJLOTCBSA-N 0 3 358.394 3.474 20 5 FGBDHN Cc1c(CC(=O)NCCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000159956725 495849344 /nfs/dbraw/zinc/84/93/44/495849344.db2.gz CEVLDAOYNSBKDT-UHFFFAOYSA-N 0 3 355.438 3.084 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000180216947 495911496 /nfs/dbraw/zinc/91/14/96/495911496.db2.gz RSZKOZVAGOZFJM-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177144728 495946600 /nfs/dbraw/zinc/94/66/00/495946600.db2.gz APCVTFPXYGKMOF-AAEUAGOBSA-N 0 3 372.450 3.073 20 5 FGBDHN COc1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000177149920 495950094 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ZINC000177773504 496190392 /nfs/dbraw/zinc/19/03/92/496190392.db2.gz SMDVHPYRQHDBEZ-OAHLLOKOSA-N 0 3 351.410 3.394 20 5 FGBDHN CCOc1cccc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000184148701 496259540 /nfs/dbraw/zinc/25/95/40/496259540.db2.gz HVERIMKAXSHUTO-QGZVFWFLSA-N 0 3 371.437 3.172 20 5 FGBDHN CCOC(=O)CC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000162091489 496294857 /nfs/dbraw/zinc/29/48/57/496294857.db2.gz HVCMUMNGRCKYRZ-OAHLLOKOSA-N 0 3 350.415 3.029 20 5 FGBDHN COc1ccc2oc([C@@H](C)NCCn3cc([N+](=O)[O-])ccc3=O)c(C)c2c1 ZINC000184342379 496342466 /nfs/dbraw/zinc/34/24/66/496342466.db2.gz SGHUSCDYUCQCEC-CYBMUJFWSA-N 0 3 371.393 3.171 20 5 FGBDHN COc1ccc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153082659 496348222 /nfs/dbraw/zinc/34/82/22/496348222.db2.gz FOXUXJHSKVSHRU-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000181311162 496349411 /nfs/dbraw/zinc/34/94/11/496349411.db2.gz RFLBSEJZBPCCOF-MRXNPFEDSA-N 0 3 370.453 3.257 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000574700704 505835544 /nfs/dbraw/zinc/83/55/44/505835544.db2.gz HLOIQCRZERDYOV-INIZCTEOSA-N 0 3 374.485 3.181 20 5 FGBDHN COc1cc(CN[C@@H]2CCC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000172633433 496369020 /nfs/dbraw/zinc/36/90/20/496369020.db2.gz UQFWTBZTCCIFCT-QZTJIDSGSA-N 0 3 372.421 3.185 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000153269713 496403800 /nfs/dbraw/zinc/40/38/00/496403800.db2.gz JXXYWVMXTIBENJ-ZDUSSCGKSA-N 0 3 363.483 3.454 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000163012107 496449337 /nfs/dbraw/zinc/44/93/37/496449337.db2.gz YXOACBPADXULRN-IGCXYCKISA-N 0 3 355.394 3.076 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000175622126 496469372 /nfs/dbraw/zinc/46/93/72/496469372.db2.gz KMCUAIRTPIMJNU-GDBMZVCRSA-N 0 3 360.458 3.140 20 5 FGBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000163540625 496529438 /nfs/dbraw/zinc/52/94/38/496529438.db2.gz PVDQXBACUMTSRC-UHFFFAOYSA-N 0 3 373.428 3.175 20 5 FGBDHN COc1ccc(CNC[C@@H](O)COc2c(C)ccc(C)c2C)cc1[N+](=O)[O-] ZINC000569092214 505850660 /nfs/dbraw/zinc/85/06/60/505850660.db2.gz WVXHWTNKWVXCLR-QGZVFWFLSA-N 0 3 374.437 3.058 20 5 FGBDHN COc1cccc(COC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821846 496558709 /nfs/dbraw/zinc/55/87/09/496558709.db2.gz AQXBTHXMBIHGRZ-YJBOKZPZSA-N 0 3 374.437 3.140 20 5 FGBDHN CC[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163808330 496560166 /nfs/dbraw/zinc/56/01/66/496560166.db2.gz YFVPHDSSXNHYIA-IBGZPJMESA-N 0 3 371.437 3.303 20 5 FGBDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153783377 496579771 /nfs/dbraw/zinc/57/97/71/496579771.db2.gz PPMUWCZLUNHJSG-INIZCTEOSA-N 0 3 355.438 3.278 20 5 FGBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1COc2ccccc21 ZINC000179006130 496642660 /nfs/dbraw/zinc/64/26/60/496642660.db2.gz BHWJVOHTXYBTEN-YVEFUNNKSA-N 0 3 356.378 3.116 20 5 FGBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179129750 496684797 /nfs/dbraw/zinc/68/47/97/496684797.db2.gz KLRFLLLRUYGIII-ZOCIIQOWSA-N 0 3 368.437 3.400 20 5 FGBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])n4C)n3)cc21 ZINC000574816681 505862021 /nfs/dbraw/zinc/86/20/21/505862021.db2.gz QCEIRYSMPHDKRF-CYBMUJFWSA-N 0 3 371.378 3.007 20 5 FGBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182356747 496731333 /nfs/dbraw/zinc/73/13/33/496731333.db2.gz CVTXTZMIZBFAIY-OCCSQVGLSA-N 0 3 374.384 3.295 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188328996 496754121 /nfs/dbraw/zinc/75/41/21/496754121.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 0 3 369.465 3.225 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000247240998 496812726 /nfs/dbraw/zinc/81/27/26/496812726.db2.gz ZOPDYEROOGACEV-OFQRWUPVSA-N 0 3 369.421 3.385 20 5 FGBDHN CC(C)C[C@@]1(CO)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191639671 496842516 /nfs/dbraw/zinc/84/25/16/496842516.db2.gz KAVIDEAUSMWUCQ-GOSISDBHSA-N 0 3 360.414 3.018 20 5 FGBDHN Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189120656 497015064 /nfs/dbraw/zinc/01/50/64/497015064.db2.gz FCDCOQJADCHHBT-QGZVFWFLSA-N 0 3 360.389 3.238 20 5 FGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248456785 497017350 /nfs/dbraw/zinc/01/73/50/497017350.db2.gz LWBRQYOOHRVMEH-TZMCWYRMSA-N 0 3 365.455 3.101 20 5 FGBDHN O=[N+]([O-])c1ccc(CCNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189147898 497024188 /nfs/dbraw/zinc/02/41/88/497024188.db2.gz IDEPKERVTOPWSW-UHFFFAOYSA-N 0 3 354.385 3.311 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000192204228 497031291 /nfs/dbraw/zinc/03/12/91/497031291.db2.gz IFZHGZFPCXJNNN-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000192226032 497039507 /nfs/dbraw/zinc/03/95/07/497039507.db2.gz NVFYLJKGKHKTMD-KRWDZBQOSA-N 0 3 356.426 3.001 20 5 FGBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000248573247 497045133 /nfs/dbraw/zinc/04/51/33/497045133.db2.gz GPHAIMCNIVXTFQ-RIEGTJTDSA-N 0 3 355.822 3.122 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000236714595 497137426 /nfs/dbraw/zinc/13/74/26/497137426.db2.gz ASIQMIKYOYYNIG-IBGZPJMESA-N 0 3 355.438 3.467 20 5 FGBDHN COC[C@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000574946614 505888231 /nfs/dbraw/zinc/88/82/31/505888231.db2.gz PQJAMUPIBKGNDQ-YWZLYKJASA-N 0 3 356.422 3.360 20 5 FGBDHN CC1(C)C[C@@H](NCCc2nnc3n2CCCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000278600382 497163939 /nfs/dbraw/zinc/16/39/39/497163939.db2.gz AOSLSSLHNVERFF-QGZVFWFLSA-N 0 3 369.469 3.467 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278749458 497207708 /nfs/dbraw/zinc/20/77/08/497207708.db2.gz ATKUETZIOVYYQM-IBGZPJMESA-N 0 3 370.453 3.041 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1 ZINC000237242219 497209072 /nfs/dbraw/zinc/20/90/72/497209072.db2.gz FFWDQUMJTHBTRQ-KRWDZBQOSA-N 0 3 357.410 3.157 20 5 FGBDHN CCOC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000189819327 497255643 /nfs/dbraw/zinc/25/56/43/497255643.db2.gz CEOLGVSKUALFNG-NHYWBVRUSA-N 0 3 357.838 3.226 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279244063 497379518 /nfs/dbraw/zinc/37/95/18/497379518.db2.gz HGQUTVDGLFOVCG-OLZOCXBDSA-N 0 3 369.824 3.015 20 5 FGBDHN C[C@H](c1ccccc1)[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245479782 497425341 /nfs/dbraw/zinc/42/53/41/497425341.db2.gz WRPSEPYBFXGCLR-DOXZYTNZSA-N 0 3 353.422 3.482 20 5 FGBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000193627205 497431870 /nfs/dbraw/zinc/43/18/70/497431870.db2.gz OWFHCIUTOCSTSD-MRXNPFEDSA-N 0 3 354.410 3.238 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000245590530 497468096 /nfs/dbraw/zinc/46/80/96/497468096.db2.gz KZMPNUACRFQSIT-PWIZWCRZSA-N 0 3 369.465 3.189 20 5 FGBDHN COCC[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000272552110 497660842 /nfs/dbraw/zinc/66/08/42/497660842.db2.gz MHQIASOSZSTSLM-CZUORRHYSA-N 0 3 361.398 3.272 20 5 FGBDHN CC(C)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272558265 497662684 /nfs/dbraw/zinc/66/26/84/497662684.db2.gz SNYPXRRRHNKUGQ-RTBURBONSA-N 0 3 371.485 3.128 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000246230984 497670283 /nfs/dbraw/zinc/67/02/83/497670283.db2.gz GCQVTGXBHIRJNE-YSIASYRMSA-N 0 3 374.412 3.355 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246849026 497816358 /nfs/dbraw/zinc/81/63/58/497816358.db2.gz OZNZRDPKZMWGPD-KXBFYZLASA-N 0 3 359.470 3.442 20 5 FGBDHN O=[N+]([O-])c1cc(CNCCCCn2cc(Br)cn2)cs1 ZINC000280624892 497831403 /nfs/dbraw/zinc/83/14/03/497831403.db2.gz PWHPJRGTTYJPIA-UHFFFAOYSA-N 0 3 359.249 3.185 20 5 FGBDHN Cc1c(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000299633911 497875495 /nfs/dbraw/zinc/87/54/95/497875495.db2.gz WRNIYOUHTBUDBU-UHFFFAOYSA-N 0 3 369.421 3.460 20 5 FGBDHN CCn1cc([C@@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000295978632 497877144 /nfs/dbraw/zinc/87/71/44/497877144.db2.gz IZRJGVWHPJACPO-CYBMUJFWSA-N 0 3 355.398 3.360 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000299670651 497889043 /nfs/dbraw/zinc/88/90/43/497889043.db2.gz MEHBRHQOIXYUOX-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN CCc1cc(NC[C@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301184531 497989409 /nfs/dbraw/zinc/98/94/09/497989409.db2.gz CWBVHZTZJSVJDC-CQSZACIVSA-N 0 3 355.442 3.368 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000581329705 505962571 /nfs/dbraw/zinc/96/25/71/505962571.db2.gz BSUOQEMMOFFIFY-DOMZBBRYSA-N 0 3 361.398 3.056 20 5 FGBDHN CN(C)C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301231278 498011501 /nfs/dbraw/zinc/01/15/01/498011501.db2.gz AVRCKSWMGZZNQS-HNNXBMFYSA-N 0 3 353.422 3.214 20 5 FGBDHN Cn1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239345 498030888 /nfs/dbraw/zinc/03/08/88/498030888.db2.gz SKMLBNHZWLWDPF-MSOLQXFVSA-N 0 3 356.426 3.139 20 5 FGBDHN CN(CCc1nc(-c2ccccc2)no1)CCc1ccccc1[N+](=O)[O-] ZINC000285286597 498043585 /nfs/dbraw/zinc/04/35/85/498043585.db2.gz JXXMVZXBIBFXEP-UHFFFAOYSA-N 0 3 352.394 3.362 20 5 FGBDHN CC1=C[C@@H](C)C[C@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000578585168 505973213 /nfs/dbraw/zinc/97/32/13/505973213.db2.gz WHVWSKXEDWYKOO-WBVHZDCISA-N 0 3 357.454 3.345 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285542467 498123052 /nfs/dbraw/zinc/12/30/52/498123052.db2.gz LQQJCRAZATXWQB-CKEIUWERSA-N 0 3 371.441 3.264 20 5 FGBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301494582 498134836 /nfs/dbraw/zinc/13/48/36/498134836.db2.gz ACBUJGKEWFPDNZ-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN Cn1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292814494 498156904 /nfs/dbraw/zinc/15/69/04/498156904.db2.gz PGCKZHREKAZQOD-DOTOQJQBSA-N 0 3 362.380 3.472 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccc(F)cc21 ZINC000569686127 505993617 /nfs/dbraw/zinc/99/36/17/505993617.db2.gz BMYOKRPIDXRTRQ-RDJZCZTQSA-N 0 3 360.385 3.141 20 5 FGBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000330923566 498218867 /nfs/dbraw/zinc/21/88/67/498218867.db2.gz STXKHYKWZUIEPQ-ZDUSSCGKSA-N 0 3 371.359 3.314 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000285945164 498248750 /nfs/dbraw/zinc/24/87/50/498248750.db2.gz UZWQBZJHPVEKCC-YPMHNXCESA-N 0 3 369.824 3.015 20 5 FGBDHN CN1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)(N2CCCCC2)CC1 ZINC000301795885 498267452 /nfs/dbraw/zinc/26/74/52/498267452.db2.gz QKXWPUXHOHPDMC-UHFFFAOYSA-N 0 3 368.428 3.235 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301844971 498290003 /nfs/dbraw/zinc/29/00/03/498290003.db2.gz LXQHZGWVDAOELT-OAHLLOKOSA-N 0 3 353.850 3.329 20 5 FGBDHN CC(C)(C)Oc1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301867212 498302883 /nfs/dbraw/zinc/30/28/83/498302883.db2.gz DRUNVYXCBCOXEC-MRXNPFEDSA-N 0 3 363.458 3.437 20 5 FGBDHN Cc1ccc(-c2n[nH]cc2CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365115579 498303209 /nfs/dbraw/zinc/30/32/09/498303209.db2.gz GKOGEXYOLHBMFJ-UHFFFAOYSA-N 0 3 366.425 3.327 20 5 FGBDHN Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302022621 498372197 /nfs/dbraw/zinc/37/21/97/498372197.db2.gz OQOTXPQMMGKJPY-OAHLLOKOSA-N 0 3 356.426 3.117 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157592 498404671 /nfs/dbraw/zinc/40/46/71/498404671.db2.gz TZACIOLMKYCFEW-QFBILLFUSA-N 0 3 370.453 3.041 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160686 498422475 /nfs/dbraw/zinc/42/24/75/498422475.db2.gz GXVLVAKBPQIMDI-GXTWGEPZSA-N 0 3 357.439 3.236 20 5 FGBDHN C[S@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000282487508 498530851 /nfs/dbraw/zinc/53/08/51/498530851.db2.gz VUWLHADBNPMHRA-QHCPKHFHSA-N 0 3 350.465 3.324 20 5 FGBDHN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365754986 498625726 /nfs/dbraw/zinc/62/57/26/498625726.db2.gz VIGGBINPWAYHOX-ROUUACIJSA-N 0 3 365.433 3.189 20 5 FGBDHN O=c1cc(CN[C@H]2CCC(=O)NC23CCC3)c2c(ccc3ccccc32)o1 ZINC000282871406 498689215 /nfs/dbraw/zinc/68/92/15/498689215.db2.gz UQJWCOPHZWEWIC-SFHVURJKSA-N 0 3 362.429 3.237 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000312073443 498755662 /nfs/dbraw/zinc/75/56/62/498755662.db2.gz OWOAHWPIRNTVPA-ZWKOTPCHSA-N 0 3 352.438 3.257 20 5 FGBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000312739810 498763024 /nfs/dbraw/zinc/76/30/24/498763024.db2.gz XQBDQUSCTYKMHV-MRXNPFEDSA-N 0 3 366.421 3.166 20 5 FGBDHN CC(C)(CCc1noc([C@H]2CCCN(Cc3ccccc3)C2)n1)[N+](=O)[O-] ZINC000291048997 498772450 /nfs/dbraw/zinc/77/24/50/498772450.db2.gz HYNCGSNRXXHZMZ-INIZCTEOSA-N 0 3 358.442 3.437 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CCN(C)C)c1 ZINC000283288569 498842157 /nfs/dbraw/zinc/84/21/57/498842157.db2.gz UVZOQZLMGGPFCK-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN COc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)c([N+](=O)[O-])cc1F ZINC000295010798 498878597 /nfs/dbraw/zinc/87/85/97/498878597.db2.gz CSBGMXVXACBBTJ-UHFFFAOYSA-N 0 3 361.373 3.365 20 5 FGBDHN CON(C)C(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000291366309 498911755 /nfs/dbraw/zinc/91/17/55/498911755.db2.gz YWANWLUOXXAXBD-UHFFFAOYSA-N 0 3 373.409 3.087 20 5 FGBDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363643376 498920619 /nfs/dbraw/zinc/92/06/19/498920619.db2.gz OYRWDDLHNADGLA-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000363958239 499066907 /nfs/dbraw/zinc/06/69/07/499066907.db2.gz CEOQQCADVWXAQD-ZBEGNZNMSA-N 0 3 363.414 3.218 20 5 FGBDHN COCC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000291801742 499072143 /nfs/dbraw/zinc/07/21/43/499072143.db2.gz XIFCRTCHXXEMMZ-UHFFFAOYSA-N 0 3 360.410 3.388 20 5 FGBDHN CNC(=O)c1ccc(NC2CCN(Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000364020839 499088657 /nfs/dbraw/zinc/08/86/57/499088657.db2.gz IFEBRUPTZAUIAX-UHFFFAOYSA-N 0 3 374.466 3.092 20 5 FGBDHN C[C@@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000370172253 499192395 /nfs/dbraw/zinc/19/23/95/499192395.db2.gz JZUUEXWPIDOWFZ-LYRGGWFBSA-N 0 3 358.398 3.426 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@](O)(c3ccccc3)CC2)c1 ZINC000367701456 499226396 /nfs/dbraw/zinc/22/63/96/499226396.db2.gz KWPAZONQFSDRMM-VQTJNVASSA-N 0 3 356.422 3.002 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccc(Cl)c1 ZINC000370524082 499228559 /nfs/dbraw/zinc/22/85/59/499228559.db2.gz RPFYDGXIKRBTDK-DYVFJYSZSA-N 0 3 374.828 3.066 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC12CCN(C)CC2 ZINC000371310880 499308714 /nfs/dbraw/zinc/30/87/14/499308714.db2.gz PMWMYSUDHHXSBK-CQSZACIVSA-N 0 3 363.483 3.162 20 5 FGBDHN CCOc1ccc([C@@H](C)NCc2ccnc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000371312188 499308857 /nfs/dbraw/zinc/30/88/57/499308857.db2.gz CIMUNKQEPSAWFL-CQSZACIVSA-N 0 3 367.409 3.425 20 5 FGBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCN(c2ccncc2)CC1 ZINC000368934438 499348376 /nfs/dbraw/zinc/34/83/76/499348376.db2.gz YYSIAGDRAHMOFY-QPJJXVBHSA-N 0 3 366.421 3.130 20 5 FGBDHN CN1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369570156 499420086 /nfs/dbraw/zinc/42/00/86/499420086.db2.gz QAKDMZBRXHEYOT-UWSNXEPLSA-N 0 3 371.462 3.479 20 5 FGBDHN O=C(CCN1CCC[C@@]2(CCCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373172746 499455171 /nfs/dbraw/zinc/45/51/71/499455171.db2.gz KLJZOXCNBMGHEC-SFHVURJKSA-N 0 3 365.405 3.098 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(Cc4cccs4)CC3)nc2c1 ZINC000373208934 499457493 /nfs/dbraw/zinc/45/74/93/499457493.db2.gz JDZHTFQEYPBVCT-UHFFFAOYSA-N 0 3 371.466 3.287 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](c3nnc[nH]3)C2)o1 ZINC000378346405 499504513 /nfs/dbraw/zinc/50/45/13/499504513.db2.gz QSZPVGSMJVJDII-CYBMUJFWSA-N 0 3 353.382 3.353 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000378507673 499525641 /nfs/dbraw/zinc/52/56/41/499525641.db2.gz MFJHSBAYSFPDMN-GMBSWORKSA-N 0 3 358.442 3.286 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000388431457 499550770 /nfs/dbraw/zinc/55/07/70/499550770.db2.gz UOGGUFHSLWDGKD-ROUUACIJSA-N 0 3 352.438 3.257 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCCN(Cc3cccnc3)C1)CCN2 ZINC000376429900 499607998 /nfs/dbraw/zinc/60/79/98/499607998.db2.gz VWIMFTWMRUGSLU-INIZCTEOSA-N 0 3 367.453 3.282 20 5 FGBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCCC12CCN(C)CC2 ZINC000377214794 499671157 /nfs/dbraw/zinc/67/11/57/499671157.db2.gz OBCXJZCEUYENHJ-UHFFFAOYSA-N 0 3 350.394 3.134 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000411419440 499738010 /nfs/dbraw/zinc/73/80/10/499738010.db2.gz KQDXHCLTXGNBPQ-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN CC(C)(NCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000411759116 499787357 /nfs/dbraw/zinc/78/73/57/499787357.db2.gz PBAVRORGACQJDC-UHFFFAOYSA-N 0 3 352.394 3.311 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000582213380 506159505 /nfs/dbraw/zinc/15/95/05/506159505.db2.gz DNEOPDDTUNDLLS-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN CCS(=O)(=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414540636 499805414 /nfs/dbraw/zinc/80/54/14/499805414.db2.gz HHZNZQDERYKIND-UHFFFAOYSA-N 0 3 368.480 3.238 20 5 FGBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC(=O)N1 ZINC000414557574 499808770 /nfs/dbraw/zinc/80/87/70/499808770.db2.gz LZCYHGGBVIKWCG-OAHLLOKOSA-N 0 3 357.410 3.344 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccnc4ccccc43)CC2)c1 ZINC000570408239 506161614 /nfs/dbraw/zinc/16/16/14/506161614.db2.gz ZYSPDFXNMSHCLA-UHFFFAOYSA-N 0 3 351.410 3.219 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415587269 499904119 /nfs/dbraw/zinc/90/41/19/499904119.db2.gz WLJPVNBKFSHWQT-KRWDZBQOSA-N 0 3 354.410 3.220 20 5 FGBDHN CSc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000579398841 506164882 /nfs/dbraw/zinc/16/48/82/506164882.db2.gz FNIMZECTXIKZGL-SFHVURJKSA-N 0 3 373.478 3.278 20 5 FGBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007573 499980541 /nfs/dbraw/zinc/98/05/41/499980541.db2.gz VSXURWFDGLIMGI-CLCXKQKWSA-N 0 3 370.453 3.412 20 5 FGBDHN Cc1cc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000425002577 499989285 /nfs/dbraw/zinc/98/92/85/499989285.db2.gz GDWLNRFZQYTKJK-FXAWDEMLSA-N 0 3 365.433 3.250 20 5 FGBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000416306564 500010708 /nfs/dbraw/zinc/01/07/08/500010708.db2.gz GSFKIEOPBITDRS-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN C[C@H](CO)N(Cc1ccc(Br)cc1[N+](=O)[O-])CC1CCC1 ZINC000425484604 500120072 /nfs/dbraw/zinc/12/00/72/500120072.db2.gz SMMNSGRIFPENGX-LLVKDONJSA-N 0 3 357.248 3.340 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425537795 500137333 /nfs/dbraw/zinc/13/73/33/500137333.db2.gz IOYCNKBWYWAWHJ-KRWDZBQOSA-N 0 3 368.861 3.296 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000417856754 500185342 /nfs/dbraw/zinc/18/53/42/500185342.db2.gz SOYHWFJQPLBDQG-RDTXWAMCSA-N 0 3 368.437 3.150 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000430084997 500190158 /nfs/dbraw/zinc/19/01/58/500190158.db2.gz LMXVEUDGZDXNGL-OEAKIKGJSA-N 0 3 366.417 3.425 20 5 FGBDHN CN(C)C(=O)c1ccccc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417972692 500207462 /nfs/dbraw/zinc/20/74/62/500207462.db2.gz BWGMDKFSLKMZIH-UHFFFAOYSA-N 0 3 361.829 3.282 20 5 FGBDHN COc1cccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000422798396 500299277 /nfs/dbraw/zinc/29/92/77/500299277.db2.gz QXNPKMVZDFKJMI-INIZCTEOSA-N 0 3 357.410 3.157 20 5 FGBDHN CC(C)c1ccc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000428487800 500516869 /nfs/dbraw/zinc/51/68/69/500516869.db2.gz WTKSIZBWBNBNIU-ZDUSSCGKSA-N 0 3 373.375 3.219 20 5 FGBDHN COC(=O)[C@]1(c2ccccc2)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000428789836 500557521 /nfs/dbraw/zinc/55/75/21/500557521.db2.gz WHDJPIJKDZADJT-MGPUTAFESA-N 0 3 354.406 3.473 20 5 FGBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)c1ccncc1 ZINC000582404250 506203591 /nfs/dbraw/zinc/20/35/91/506203591.db2.gz RQNJVANJWXZYCN-UHFFFAOYSA-N 0 3 357.414 3.275 20 5 FGBDHN CC(=O)Nc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447528736 500617830 /nfs/dbraw/zinc/61/78/30/500617830.db2.gz JZSSFBQJKBZXEN-SJORKVTESA-N 0 3 357.414 3.023 20 5 FGBDHN Cc1cccc2nc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn21 ZINC000447535392 500619647 /nfs/dbraw/zinc/61/96/47/500619647.db2.gz FRAAVFAOHPRUNM-HZPDHXFCSA-N 0 3 354.414 3.021 20 5 FGBDHN CCc1ccc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072044 500619795 /nfs/dbraw/zinc/61/97/95/500619795.db2.gz MVFKFIYKVAGUCV-QUCCMNQESA-N 0 3 370.449 3.386 20 5 FGBDHN CC(C)Oc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447538170 500620564 /nfs/dbraw/zinc/62/05/64/500620564.db2.gz ARDRWCVQPNWZRA-JKSUJKDBSA-N 0 3 359.430 3.247 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cn3cc(Cl)ccc3n2)n1 ZINC000447543416 500621212 /nfs/dbraw/zinc/62/12/12/500621212.db2.gz RZKQQYXLTICPJN-LSDHHAIUSA-N 0 3 374.832 3.366 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cccn(CC)c1=O ZINC000433080622 500621853 /nfs/dbraw/zinc/62/18/53/500621853.db2.gz CHJVKLQEUBXCAM-HNNXBMFYSA-N 0 3 361.467 3.437 20 5 FGBDHN CC1(C)C[C@H](NC[C@H](O)COc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433160777 500636651 /nfs/dbraw/zinc/63/66/51/500636651.db2.gz POPZUKZZXSXMBE-KXBFYZLASA-N 0 3 374.412 3.486 20 5 FGBDHN Cc1ccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N2CCCC2)o1 ZINC000447672053 500642831 /nfs/dbraw/zinc/64/28/31/500642831.db2.gz SEZOXTMWFYPURM-INIZCTEOSA-N 0 3 355.398 3.043 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(C)(C)O ZINC000438337914 500773061 /nfs/dbraw/zinc/77/30/61/500773061.db2.gz BFFLMNRCORVBNX-OAHLLOKOSA-N 0 3 373.453 3.132 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000434349140 500830328 /nfs/dbraw/zinc/83/03/28/500830328.db2.gz GMIGYEWUINBKKQ-IBGZPJMESA-N 0 3 372.469 3.286 20 5 FGBDHN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCC[C@@H]1C ZINC000444674176 500877047 /nfs/dbraw/zinc/87/70/47/500877047.db2.gz JTOSWFTVSTXNFO-JSGCOSHPSA-N 0 3 363.414 3.163 20 5 FGBDHN C[C@@H]1NCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000434709600 500882704 /nfs/dbraw/zinc/88/27/04/500882704.db2.gz HAAOQNPMDDJSIR-GJZGRUSLSA-N 0 3 368.437 3.029 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCO[C@]2(CCOC2)C1 ZINC000602582805 506222606 /nfs/dbraw/zinc/22/26/06/506222606.db2.gz OPOCCDUFNXBWOE-DZGCQCFKSA-N 0 3 360.332 3.041 20 5 FGBDHN CN(C)CCOc1ccc(CCNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434946471 500914572 /nfs/dbraw/zinc/91/45/72/500914572.db2.gz JWHAYJCPPJCWSO-UHFFFAOYSA-N 0 3 364.833 3.238 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000439867611 500948002 /nfs/dbraw/zinc/94/80/02/500948002.db2.gz BNIIGVXSPDNKMD-QGZVFWFLSA-N 0 3 372.425 3.418 20 5 FGBDHN COC(=O)COc1ccc(CN(C)CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000449381280 500990691 /nfs/dbraw/zinc/99/06/91/500990691.db2.gz RKSQRMFDLJMKCM-UHFFFAOYSA-N 0 3 372.421 3.130 20 5 FGBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000449449126 501005300 /nfs/dbraw/zinc/00/53/00/501005300.db2.gz BXYXYCCLPQSYBE-IBGZPJMESA-N 0 3 366.421 3.161 20 5 FGBDHN CN1CCN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000440650470 501033992 /nfs/dbraw/zinc/03/39/92/501033992.db2.gz NEDONPVDOOKMRI-UHFFFAOYSA-N 0 3 360.380 3.052 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000449577096 501037087 /nfs/dbraw/zinc/03/70/87/501037087.db2.gz CJJAKIDSMPMHGF-SJORKVTESA-N 0 3 369.465 3.253 20 5 FGBDHN CO[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630399 501046495 /nfs/dbraw/zinc/04/64/95/501046495.db2.gz HUENVUNUSJYUSU-QZTJIDSGSA-N 0 3 370.453 3.385 20 5 FGBDHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682556 501061487 /nfs/dbraw/zinc/06/14/87/501061487.db2.gz XPJIWYROZOJSQN-GUYCJALGSA-N 0 3 362.451 3.295 20 5 FGBDHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682557 501061728 /nfs/dbraw/zinc/06/17/28/501061728.db2.gz XPJIWYROZOJSQN-SUMWQHHRSA-N 0 3 362.451 3.295 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000446103004 501075113 /nfs/dbraw/zinc/07/51/13/501075113.db2.gz LPKCENRPQMATKI-WCQYABFASA-N 0 3 353.850 3.407 20 5 FGBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000441186589 501100219 /nfs/dbraw/zinc/10/02/19/501100219.db2.gz XIRVJJTXCZVSCI-UHFFFAOYSA-N 0 3 374.393 3.233 20 5 FGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000450395565 501110152 /nfs/dbraw/zinc/11/01/52/501110152.db2.gz URDXWTMAIHQWPR-GOSISDBHSA-N 0 3 370.453 3.224 20 5 FGBDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279471 501114079 /nfs/dbraw/zinc/11/40/79/501114079.db2.gz ARJSTQINIOVAAU-MFKMUULPSA-N 0 3 373.240 3.152 20 5 FGBDHN CCc1cc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ccn1 ZINC000450475299 501131205 /nfs/dbraw/zinc/13/12/05/501131205.db2.gz WWGACMDCKMXVTC-UHFFFAOYSA-N 0 3 366.425 3.145 20 5 FGBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)ncc1[N+](=O)[O-] ZINC000450507052 501139701 /nfs/dbraw/zinc/13/97/01/501139701.db2.gz OZUFSESEKNGGDC-QGZVFWFLSA-N 0 3 355.442 3.406 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000449988280 501146877 /nfs/dbraw/zinc/14/68/77/501146877.db2.gz SBTXWZDXKJGVJS-JQWIXIFHSA-N 0 3 359.348 3.168 20 5 FGBDHN C[C@H](CCc1n[nH]c2ccccc21)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838954 501171540 /nfs/dbraw/zinc/17/15/40/501171540.db2.gz NSLOMJYWBSQBPT-GFCCVEGCSA-N 0 3 364.409 3.458 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2c(n1)CCCC2 ZINC000446893837 501178662 /nfs/dbraw/zinc/17/86/62/501178662.db2.gz WBYUIUGXSFRUKC-AWEZNQCLSA-N 0 3 368.437 3.376 20 5 FGBDHN CC(C)[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000596069630 506240113 /nfs/dbraw/zinc/24/01/13/506240113.db2.gz HFRODFCXZUUYCK-INIZCTEOSA-N 0 3 374.407 3.298 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000436727399 501197968 /nfs/dbraw/zinc/19/79/68/501197968.db2.gz ZFOMSXOHZUIDDY-QGZVFWFLSA-N 0 3 353.422 3.426 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000450805704 501211928 /nfs/dbraw/zinc/21/19/28/501211928.db2.gz CZVSEZYEROIESL-OAHLLOKOSA-N 0 3 357.458 3.078 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451108581 501246292 /nfs/dbraw/zinc/24/62/92/501246292.db2.gz WZQSXOLEUPEKMD-BLLLJJGKSA-N 0 3 350.802 3.339 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451182245 501250617 /nfs/dbraw/zinc/25/06/17/501250617.db2.gz IRJPZWCTEBPGKV-HBUWYVDXSA-N 0 3 353.422 3.460 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451295380 501258515 /nfs/dbraw/zinc/25/85/15/501258515.db2.gz MZSRHKIPZHZOBW-AWEZNQCLSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)o2)cc1 ZINC000451335321 501268689 /nfs/dbraw/zinc/26/86/89/501268689.db2.gz CYYRNOALZVXKJF-BRWVUGGUSA-N 0 3 372.425 3.160 20 5 FGBDHN COc1c(C)cnc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000451375407 501278892 /nfs/dbraw/zinc/27/88/92/501278892.db2.gz MQRBZJCEXYPFPP-UHFFFAOYSA-N 0 3 372.425 3.076 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccc(C(F)(F)F)n2)n1 ZINC000453258135 501301308 /nfs/dbraw/zinc/30/13/08/501301308.db2.gz AFLCZBNMKQUICD-QWHCGFSZSA-N 0 3 369.347 3.479 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(F)(Cc3ccc(Cl)cc3)CC2)n1 ZINC000451534261 501315545 /nfs/dbraw/zinc/31/55/45/501315545.db2.gz XNLPKGDHUWGWOB-UHFFFAOYSA-N 0 3 366.824 3.492 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700078 501354305 /nfs/dbraw/zinc/35/43/05/501354305.db2.gz XDCDLEWTCHZHRR-UTXMOHQDSA-N 0 3 372.425 3.189 20 5 FGBDHN C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971853 506253135 /nfs/dbraw/zinc/25/31/35/506253135.db2.gz GZTJFQFRPPXQIZ-KSSFIOAISA-N 0 3 360.458 3.362 20 5 FGBDHN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456301291 501492179 /nfs/dbraw/zinc/49/21/79/501492179.db2.gz HKZXFHJPWSQVAQ-INIZCTEOSA-N 0 3 367.449 3.497 20 5 FGBDHN Cc1c(NC(=O)CCN(Cc2cnn(C)c2)CC(C)C)cccc1[N+](=O)[O-] ZINC000459593957 501683194 /nfs/dbraw/zinc/68/31/94/501683194.db2.gz JTVQEJKPISYFOU-UHFFFAOYSA-N 0 3 373.457 3.124 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000455183012 501703226 /nfs/dbraw/zinc/70/32/26/501703226.db2.gz OOCLJXCBVDATMQ-KRWDZBQOSA-N 0 3 362.474 3.247 20 5 FGBDHN CC(C)(C)N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C(F)(F)F)C1 ZINC000459881238 501721075 /nfs/dbraw/zinc/72/10/75/501721075.db2.gz AXTKPEKAJGNMFP-CHWSQXEVSA-N 0 3 359.348 3.442 20 5 FGBDHN CCN1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000460584272 501868736 /nfs/dbraw/zinc/86/87/36/501868736.db2.gz MLBDZSHYNKIZNQ-UHFFFAOYSA-N 0 3 372.473 3.041 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000468172055 501979245 /nfs/dbraw/zinc/97/92/45/501979245.db2.gz ZSDQMGPDXNGFTK-QRWLVFNGSA-N 0 3 355.438 3.253 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000478644679 502042765 /nfs/dbraw/zinc/04/27/65/502042765.db2.gz UJYCHVKFYBXASO-KKUMJFAQSA-N 0 3 365.499 3.455 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169737 506290800 /nfs/dbraw/zinc/29/08/00/506290800.db2.gz UMCXYHNWQKAVDK-SJORKVTESA-N 0 3 368.437 3.186 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169737 506290814 /nfs/dbraw/zinc/29/08/14/506290814.db2.gz UMCXYHNWQKAVDK-SJORKVTESA-N 0 3 368.437 3.186 20 5 FGBDHN COc1cc(CN2CCN(C)CC23CCCCC3)c([N+](=O)[O-])cc1F ZINC000464691743 502065619 /nfs/dbraw/zinc/06/56/19/502065619.db2.gz PJPITMJRKIWLRM-UHFFFAOYSA-N 0 3 351.422 3.193 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000468470647 502069158 /nfs/dbraw/zinc/06/91/58/502069158.db2.gz BYQKTUNKHGILPP-CQSZACIVSA-N 0 3 371.384 3.046 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468477863 502072684 /nfs/dbraw/zinc/07/26/84/502072684.db2.gz IKOZFPSNYKKGMK-CQSZACIVSA-N 0 3 373.375 3.464 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475157336 502085861 /nfs/dbraw/zinc/08/58/61/502085861.db2.gz PKNRBSNPRFFURM-MGPQQGTHSA-N 0 3 350.415 3.013 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C ZINC000475210567 502099897 /nfs/dbraw/zinc/09/98/97/502099897.db2.gz PRFYUWHSLACUQM-KOLCDFICSA-N 0 3 360.336 3.218 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C ZINC000475210569 502100295 /nfs/dbraw/zinc/10/02/95/502100295.db2.gz PRFYUWHSLACUQM-ONGXEEELSA-N 0 3 360.336 3.218 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000468650583 502135949 /nfs/dbraw/zinc/13/59/49/502135949.db2.gz ZQTTZNCGOAFJKF-OBHPCNEJSA-N 0 3 351.406 3.393 20 5 FGBDHN COc1ccc(-c2ccc(CNCCN3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000475499757 502192944 /nfs/dbraw/zinc/19/29/44/502192944.db2.gz AEYQBSCUPOUKPA-UHFFFAOYSA-N 0 3 357.410 3.215 20 5 FGBDHN Cc1cc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461955977 502252149 /nfs/dbraw/zinc/25/21/49/502252149.db2.gz JFPVDHOHCZNCSR-LJQANCHMSA-N 0 3 359.401 3.091 20 5 FGBDHN C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000483143241 502289705 /nfs/dbraw/zinc/28/97/05/502289705.db2.gz OJOFVZUXGGNKDE-VUCTXSBTSA-N 0 3 350.365 3.483 20 5 FGBDHN Cc1ncc(CNC(=O)CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000602805961 506306075 /nfs/dbraw/zinc/30/60/75/506306075.db2.gz QDXNPNJJRHDHRO-LBPRGKRZSA-N 0 3 362.455 3.025 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000462169426 502332642 /nfs/dbraw/zinc/33/26/42/502332642.db2.gz ZXSUJMCDWMCVBR-CRAIPNDOSA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236644 502362959 /nfs/dbraw/zinc/36/29/59/502362959.db2.gz IDXKJQRNHNRSBT-KDOFPFPSSA-N 0 3 354.410 3.237 20 5 FGBDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000483713160 502472788 /nfs/dbraw/zinc/47/27/88/502472788.db2.gz NUAZKWGYRVASQJ-DGCLKSJQSA-N 0 3 360.357 3.252 20 5 FGBDHN Cc1noc([C@@H]2OCC[C@@H]2N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000599091839 506319674 /nfs/dbraw/zinc/31/96/74/506319674.db2.gz GLWRZTYLMVIMDD-ARFHVFGLSA-N 0 3 358.398 3.128 20 5 FGBDHN CCC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1CCOC ZINC000488107517 502628501 /nfs/dbraw/zinc/62/85/01/502628501.db2.gz RJVKWHVBYVUYNB-OAHLLOKOSA-N 0 3 358.442 3.080 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000470168092 502690866 /nfs/dbraw/zinc/69/08/66/502690866.db2.gz WNIBJEXLEXTNFL-VQIMIIECSA-N 0 3 359.470 3.297 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000470170219 502692384 /nfs/dbraw/zinc/69/23/84/502692384.db2.gz QNEKPZXYSBFCNZ-GSPCDJLXSA-N 0 3 367.453 3.415 20 5 FGBDHN C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000488761441 502805923 /nfs/dbraw/zinc/80/59/23/502805923.db2.gz GLZJLVLMRCMDLG-LLVKDONJSA-N 0 3 358.364 3.319 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCNC(=O)c1ccccc1 ZINC000504893126 502819978 /nfs/dbraw/zinc/81/99/78/502819978.db2.gz BXQKVMLJVFOIFU-INIZCTEOSA-N 0 3 373.478 3.485 20 5 FGBDHN COc1ccc(OCCN(C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000513315246 502903000 /nfs/dbraw/zinc/90/30/00/502903000.db2.gz UOOFKNGARJMBPL-UHFFFAOYSA-N 0 3 359.426 3.180 20 5 FGBDHN Cc1cc(OCC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000505609140 502949268 /nfs/dbraw/zinc/94/92/68/502949268.db2.gz KGSWCELNNVHCDJ-YWZLYKJASA-N 0 3 371.437 3.090 20 5 FGBDHN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000505614184 502951581 /nfs/dbraw/zinc/95/15/81/502951581.db2.gz TUSWXZHXKHFKFD-LIRRHRJNSA-N 0 3 373.478 3.495 20 5 FGBDHN CCCn1nccc1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000501563001 503038907 /nfs/dbraw/zinc/03/89/07/503038907.db2.gz UTNLSXCBXVYVLZ-UHFFFAOYSA-N 0 3 358.442 3.460 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501951777 503115277 /nfs/dbraw/zinc/11/52/77/503115277.db2.gz VYORNMALYDLXMG-WBVHZDCISA-N 0 3 370.453 3.231 20 5 FGBDHN COc1ccc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506467205 503120599 /nfs/dbraw/zinc/12/05/99/503120599.db2.gz QATGPZKNRXKZDM-GOSISDBHSA-N 0 3 355.438 3.310 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C)N(C)C ZINC000510524442 503133317 /nfs/dbraw/zinc/13/33/17/503133317.db2.gz LFOVLSJGKYXKHY-KSSFIOAISA-N 0 3 356.426 3.028 20 5 FGBDHN CCN(CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000502345993 503184700 /nfs/dbraw/zinc/18/47/00/503184700.db2.gz MIMSAUMSDUYHGG-UHFFFAOYSA-N 0 3 350.440 3.154 20 5 FGBDHN Cc1ccc([C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])N2CCOCC2)o1 ZINC000514799781 503196176 /nfs/dbraw/zinc/19/61/76/503196176.db2.gz YSVMLRLBDQPUBW-IEBWSBKVSA-N 0 3 371.437 3.147 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593050727 506360584 /nfs/dbraw/zinc/36/05/84/506360584.db2.gz IELNLSUYILNZOX-UHFFFAOYSA-N 0 3 373.428 3.175 20 5 FGBDHN CC1(c2nc3ccccc3s2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000511125459 503262937 /nfs/dbraw/zinc/26/29/37/503262937.db2.gz NWHSFQYEQVXXOG-UHFFFAOYSA-N 0 3 371.466 3.455 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337417 506362927 /nfs/dbraw/zinc/36/29/27/506362927.db2.gz WVIUSQSJMQGOIO-JTQLQIEISA-N 0 3 355.822 3.320 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000599183331 506363780 /nfs/dbraw/zinc/36/37/80/506363780.db2.gz IUTODEWPTLTZKQ-UHFFFAOYSA-N 0 3 351.422 3.124 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000499168253 503348454 /nfs/dbraw/zinc/34/84/54/503348454.db2.gz ODUNBTAYYJHUEU-GOSISDBHSA-N 0 3 371.437 3.335 20 5 FGBDHN CCOc1cc(CN[C@@]2(C)CCCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492581467 503375880 /nfs/dbraw/zinc/37/58/80/503375880.db2.gz HYEPKRHGFLTFEL-KSSFIOAISA-N 0 3 350.415 3.205 20 5 FGBDHN C/C(=C/c1ccccc1)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233172 503508222 /nfs/dbraw/zinc/50/82/22/503508222.db2.gz GRTJPHFSUMVIPU-QMDZLVRISA-N 0 3 356.422 3.370 20 5 FGBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC000494504610 503553353 /nfs/dbraw/zinc/55/33/53/503553353.db2.gz AAIOHHUIIJRDCT-HNNXBMFYSA-N 0 3 362.348 3.145 20 5 FGBDHN COc1cc(CN[C@@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494651548 503583706 /nfs/dbraw/zinc/58/37/06/503583706.db2.gz VJLLHVSZYGLGJO-WCQYABFASA-N 0 3 374.384 3.295 20 5 FGBDHN Cc1cc(N2CCN(C3CCC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000500433561 503624058 /nfs/dbraw/zinc/62/40/58/503624058.db2.gz TWXDEAOMBQHVRN-UHFFFAOYSA-N 0 3 353.426 3.035 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000546182223 503660441 /nfs/dbraw/zinc/66/04/41/503660441.db2.gz XWFLKJSBQOTXFQ-STQMWFEESA-N 0 3 373.400 3.498 20 5 FGBDHN C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536836245 503736486 /nfs/dbraw/zinc/73/64/86/503736486.db2.gz WCBXNGMAWIRJNS-NWDGAFQWSA-N 0 3 368.480 3.407 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(-c2ccccc2)o1 ZINC000517428524 503743452 /nfs/dbraw/zinc/74/34/52/503743452.db2.gz PZXOSHJRQDZWDX-INIZCTEOSA-N 0 3 368.389 3.384 20 5 FGBDHN CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000533215119 503764441 /nfs/dbraw/zinc/76/44/41/503764441.db2.gz KLIKBJVTBQLPHY-UHFFFAOYSA-N 0 3 361.423 3.476 20 5 FGBDHN CC(C)NC(=O)c1ccc(NCCN2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000518066959 503902139 /nfs/dbraw/zinc/90/21/39/503902139.db2.gz HQMRJKKHXNHNCF-HUUCEWRRSA-N 0 3 362.474 3.408 20 5 FGBDHN CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546892991 503919050 /nfs/dbraw/zinc/91/90/50/503919050.db2.gz BZTQSEFURNJJNL-GOSISDBHSA-N 0 3 371.412 3.471 20 5 FGBDHN Cn1cc(CN2CCC[C@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537616574 503976523 /nfs/dbraw/zinc/97/65/23/503976523.db2.gz QAQQVIMVWWBBIR-FQEVSTJZSA-N 0 3 370.453 3.388 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCn2cnnc2C2CC2)o1 ZINC000530633458 504033662 /nfs/dbraw/zinc/03/36/62/504033662.db2.gz AOLKWPOEIMRVCK-UHFFFAOYSA-N 0 3 353.382 3.114 20 5 FGBDHN CCOc1cc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000537833364 504057881 /nfs/dbraw/zinc/05/78/81/504057881.db2.gz CDUQKVGNVUBOOJ-FQEVSTJZSA-N 0 3 371.437 3.042 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000544468063 504145898 /nfs/dbraw/zinc/14/58/98/504145898.db2.gz HIMOJRQCFWOTDH-AWEZNQCLSA-N 0 3 359.430 3.360 20 5 FGBDHN COC(=O)C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C1CCCCC1 ZINC000541601573 504195113 /nfs/dbraw/zinc/19/51/13/504195113.db2.gz IBYLHCCRWTVGNW-HNNXBMFYSA-N 0 3 350.415 3.205 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000538401382 504235978 /nfs/dbraw/zinc/23/59/78/504235978.db2.gz YAIXVPQHWIXPSI-HZPDHXFCSA-N 0 3 363.458 3.051 20 5 FGBDHN CCOc1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000534869082 504265594 /nfs/dbraw/zinc/26/55/94/504265594.db2.gz MKPHFDYKIXEZOD-UHFFFAOYSA-N 0 3 359.426 3.066 20 5 FGBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000538722542 504342306 /nfs/dbraw/zinc/34/23/06/504342306.db2.gz WIZJRBQAUSDNIT-LJQANCHMSA-N 0 3 374.393 3.248 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545156356 504378561 /nfs/dbraw/zinc/37/85/61/504378561.db2.gz PIWMWJSAYSMADV-KBPBESRZSA-N 0 3 365.449 3.248 20 5 FGBDHN C[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531709762 504399463 /nfs/dbraw/zinc/39/94/63/504399463.db2.gz OZEVXVZORLTJJD-UWJYYQICSA-N 0 3 368.481 3.234 20 5 FGBDHN CC(C)(C)CCN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535678592 504504501 /nfs/dbraw/zinc/50/45/01/504504501.db2.gz BBEBFYUOWOLXHK-UHFFFAOYSA-N 0 3 358.442 3.270 20 5 FGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000545863966 504618499 /nfs/dbraw/zinc/61/84/99/504618499.db2.gz MXBXPOJGWQIQDN-AWEZNQCLSA-N 0 3 365.449 3.248 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000521425970 504734076 /nfs/dbraw/zinc/73/40/76/504734076.db2.gz VGZWCIQYXSCJOT-HKUYNNGSSA-N 0 3 374.412 3.181 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](CO)Cc3ccco3)o2)cc1 ZINC000532866222 504769224 /nfs/dbraw/zinc/76/92/24/504769224.db2.gz CYYNPYNCBYHJGJ-CQSZACIVSA-N 0 3 356.378 3.389 20 5 FGBDHN CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1N(C)C ZINC000549531755 504843513 /nfs/dbraw/zinc/84/35/13/504843513.db2.gz IBEYJFFNUBQNMM-KGLIPLIRSA-N 0 3 363.405 3.091 20 5 FGBDHN C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN(C2CCC2)C1 ZINC000553518205 504937902 /nfs/dbraw/zinc/93/79/02/504937902.db2.gz TXHDWHWJNZVNLL-ZDUSSCGKSA-N 0 3 356.426 3.023 20 5 FGBDHN Cc1ccc2c(c1C)OC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562983905 505009897 /nfs/dbraw/zinc/00/98/97/505009897.db2.gz GJJLOQKBZKXPLR-INIZCTEOSA-N 0 3 355.394 3.264 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000557599765 505179076 /nfs/dbraw/zinc/17/90/76/505179076.db2.gz KGGUPQUQGZTMNY-NEPJUHHUSA-N 0 3 371.359 3.312 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000551418435 505221432 /nfs/dbraw/zinc/22/14/32/505221432.db2.gz DIJAFUPFSWOPHS-KDOFPFPSSA-N 0 3 372.421 3.113 20 5 FGBDHN C[C@H](C(=O)NCC1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000563798893 505241834 /nfs/dbraw/zinc/24/18/34/505241834.db2.gz XZMPZMRHYZYASU-HNNXBMFYSA-N 0 3 368.437 3.126 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000558181786 505328682 /nfs/dbraw/zinc/32/86/82/505328682.db2.gz NIQJSBYBLZNHTM-HXUWFJFHSA-N 0 3 374.412 3.040 20 5 FGBDHN CN(C)CCOc1cnccc1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000561383042 505332335 /nfs/dbraw/zinc/33/23/35/505332335.db2.gz VTMGRXOJOWBNDA-UHFFFAOYSA-N 0 3 350.806 3.196 20 5 FGBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000555231603 505386320 /nfs/dbraw/zinc/38/63/20/505386320.db2.gz WCPFOUJOAPBGOR-LBPRGKRZSA-N 0 3 353.831 3.342 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000561760290 505428643 /nfs/dbraw/zinc/42/86/43/505428643.db2.gz BROQHZPOLXEQQW-HEHGZKQESA-N 0 3 357.410 3.143 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000561918471 505468224 /nfs/dbraw/zinc/46/82/24/505468224.db2.gz LCBMTYHGGVRCOP-QGZVFWFLSA-N 0 3 350.802 3.340 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000558802272 505497496 /nfs/dbraw/zinc/49/74/96/505497496.db2.gz FWYRANUTSZMJIF-KUHUBIRLSA-N 0 3 371.437 3.415 20 5 FGBDHN CC[C@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000564734168 505505575 /nfs/dbraw/zinc/50/55/75/505505575.db2.gz GDWJGBYYSDYUEF-AWEZNQCLSA-N 0 3 370.457 3.109 20 5 FGBDHN CCOc1cccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596424598 506398519 /nfs/dbraw/zinc/39/85/19/506398519.db2.gz TVWGQBLPTRPNJO-QGZVFWFLSA-N 0 3 371.437 3.172 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1csc2ccccc12 ZINC000612029947 506401671 /nfs/dbraw/zinc/40/16/71/506401671.db2.gz XEDJSVRZYGNYIH-CQSZACIVSA-N 0 3 358.419 3.339 20 5 FGBDHN Cc1c(NC(=O)CCN2Cc3c[nH]nc3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596599156 506483318 /nfs/dbraw/zinc/48/33/18/506483318.db2.gz QMNJQKKWLZZRNE-UHFFFAOYSA-N 0 3 371.441 3.039 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596676869 506526203 /nfs/dbraw/zinc/52/62/03/506526203.db2.gz HOKAQHUQSQJMJT-HNNXBMFYSA-N 0 3 360.458 3.142 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1[N+](=O)[O-] ZINC000599615414 506530270 /nfs/dbraw/zinc/53/02/70/506530270.db2.gz YZXCNBKVDWPNFN-UHFFFAOYSA-N 0 3 370.409 3.134 20 5 FGBDHN COc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000599626642 506538854 /nfs/dbraw/zinc/53/88/54/506538854.db2.gz XWUOAVPRLPRYCI-GKQUOAKQSA-N 0 3 374.384 3.149 20 5 FGBDHN O=C(Nc1cccc2c1CCNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583012942 506541349 /nfs/dbraw/zinc/54/13/49/506541349.db2.gz PJTVSMWMHOUYSU-UHFFFAOYSA-N 0 3 366.421 3.437 20 5 FGBDHN COc1ccc([C@@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599698761 506589056 /nfs/dbraw/zinc/58/90/56/506589056.db2.gz KUENJSWMOCASIB-IBGZPJMESA-N 0 3 370.409 3.068 20 5 FGBDHN Cc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603842640 506632237 /nfs/dbraw/zinc/63/22/37/506632237.db2.gz GQUBLHRNGYBQQI-XLIONFOSSA-N 0 3 356.422 3.480 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000593520543 506667856 /nfs/dbraw/zinc/66/78/56/506667856.db2.gz HCOVMWNYXVBDBS-KDOFPFPSSA-N 0 3 371.412 3.056 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836770 506668476 /nfs/dbraw/zinc/66/84/76/506668476.db2.gz XYVOWEPBYGYAQH-ZIAGYGMSSA-N 0 3 369.425 3.234 20 5 FGBDHN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877292 506670425 /nfs/dbraw/zinc/67/04/25/506670425.db2.gz AXMMVZKHPIEOCF-NSHDSACASA-N 0 3 369.263 3.063 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000583259044 506681293 /nfs/dbraw/zinc/68/12/93/506681293.db2.gz ZIPXIYRKQPZEJZ-QUCCMNQESA-N 0 3 356.422 3.140 20 5 FGBDHN COC(=O)c1ccc(CN(C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012367 506685222 /nfs/dbraw/zinc/68/52/22/506685222.db2.gz ZZUHLPOCBVTFLB-UHFFFAOYSA-N 0 3 358.394 3.282 20 5 FGBDHN C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122360 506721521 /nfs/dbraw/zinc/72/15/21/506721521.db2.gz LSBRFKKXXUWEPW-QAPCUYQASA-N 0 3 368.437 3.230 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604312328 506783329 /nfs/dbraw/zinc/78/33/29/506783329.db2.gz SSYSOJFQZPJLJB-WMLDXEAASA-N 0 3 368.437 3.202 20 5 FGBDHN Cc1cc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000583452976 506787002 /nfs/dbraw/zinc/78/70/02/506787002.db2.gz QOQHSKRMGZPHFH-MRXNPFEDSA-N 0 3 360.389 3.467 20 5 FGBDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000604436932 506831706 /nfs/dbraw/zinc/83/17/06/506831706.db2.gz XURAPKDBLHGQGR-OAHLLOKOSA-N 0 3 374.368 3.318 20 5 FGBDHN COc1cc(CNC[C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000597235841 506851526 /nfs/dbraw/zinc/85/15/26/506851526.db2.gz LLEGWVCLJDTRHM-LBPRGKRZSA-N 0 3 374.384 3.152 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600229368 506862432 /nfs/dbraw/zinc/86/24/32/506862432.db2.gz QTJJFTABPBGEEA-CQSZACIVSA-N 0 3 351.834 3.385 20 5 FGBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594059309 506912574 /nfs/dbraw/zinc/91/25/74/506912574.db2.gz WFBOPNKDJHCVAM-HNNXBMFYSA-N 0 3 361.442 3.347 20 5 FGBDHN COc1ccc(NC(=O)CCN2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609539838 506914386 /nfs/dbraw/zinc/91/43/86/506914386.db2.gz DYFFYILVQSLPPM-CYBMUJFWSA-N 0 3 359.382 3.015 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470951 506961662 /nfs/dbraw/zinc/96/16/62/506961662.db2.gz QEWIIADBJHMNAE-APWZRJJASA-N 0 3 359.470 3.297 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609704156 506979263 /nfs/dbraw/zinc/97/92/63/506979263.db2.gz CKHHWAXHJNGTHN-CQSZACIVSA-N 0 3 368.437 3.331 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000590920372 507029644 /nfs/dbraw/zinc/02/96/44/507029644.db2.gz QYODVQHQCKGGNB-CQSZACIVSA-N 0 3 361.467 3.350 20 5 FGBDHN CCOC(=O)c1ccnc(NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609963060 507055800 /nfs/dbraw/zinc/05/58/00/507055800.db2.gz LOCNCLKDMXZYDW-CYBMUJFWSA-N 0 3 364.446 3.089 20 5 FGBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000597710373 507069657 /nfs/dbraw/zinc/06/96/57/507069657.db2.gz LFSAYPSIVLAPDH-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN NCc1cccc2c1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000600722510 507082356 /nfs/dbraw/zinc/08/23/56/507082356.db2.gz QSUGYECCUQRYFN-UHFFFAOYSA-N 0 3 374.828 3.098 20 5 FGBDHN NCc1cccc2c1N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000600723395 507083400 /nfs/dbraw/zinc/08/34/00/507083400.db2.gz NKAJFMQGBRAGJH-UHFFFAOYSA-N 0 3 374.828 3.098 20 5 FGBDHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000610272901 507170860 /nfs/dbraw/zinc/17/08/60/507170860.db2.gz ZLKCNMSMAJNGQA-SUYBPPKGSA-N 0 3 371.462 3.422 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CCOC2 ZINC000601305174 507328642 /nfs/dbraw/zinc/32/86/42/507328642.db2.gz VZUICEGEAALIOZ-CQSZACIVSA-N 0 3 369.421 3.174 20 5 FGBDHN COc1ccc(N2C[C@H](NC/C=C\c3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000594967023 507335618 /nfs/dbraw/zinc/33/56/18/507335618.db2.gz VIDCYLUSPLADFM-DQOPKJQZSA-N 0 3 367.405 3.012 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598261922 507348415 /nfs/dbraw/zinc/34/84/15/507348415.db2.gz IPYKSYXUGCINSJ-KBPBESRZSA-N 0 3 351.422 3.074 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000595018522 507357707 /nfs/dbraw/zinc/35/77/07/507357707.db2.gz QZGZSGUXCHCMQV-HIFRSBDPSA-N 0 3 362.401 3.244 20 5 FGBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000598341588 507385442 /nfs/dbraw/zinc/38/54/42/507385442.db2.gz DFRDEBUANTUTJJ-ZDUSSCGKSA-N 0 3 351.472 3.309 20 5 FGBDHN COc1cc(CNCC[C@@H]2CC2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000598676503 507546644 /nfs/dbraw/zinc/54/66/44/507546644.db2.gz JFDAKGCSKAFATB-SNVBAGLBSA-N 0 3 366.311 3.382 20 5 FGBDHN CC(C)N1CCN(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000611181018 507550849 /nfs/dbraw/zinc/55/08/49/507550849.db2.gz SNIZDXFIPJBDGU-KRWDZBQOSA-N 0 3 360.502 3.146 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197498 507558769 /nfs/dbraw/zinc/55/87/69/507558769.db2.gz ILBTTYQVGQFKAY-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCn1cc(Br)cn1)CCC2 ZINC000586795507 507675097 /nfs/dbraw/zinc/67/50/97/507675097.db2.gz DJMYINGKAHVBRK-HNNXBMFYSA-N 0 3 365.231 3.221 20 5 FGBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000595774466 507679164 /nfs/dbraw/zinc/67/91/64/507679164.db2.gz ZSWRPQWQGZVUOP-YVEFUNNKSA-N 0 3 350.369 3.108 20 5 FGBDHN CCc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510260 507713575 /nfs/dbraw/zinc/71/35/75/507713575.db2.gz YLTBRMIOXICOOL-KBXCAEBGSA-N 0 3 367.453 3.145 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN(Cc4ccccc4)CC3)nc2c1 ZINC000602504526 507730648 /nfs/dbraw/zinc/73/06/48/507730648.db2.gz SMAMZIAPLNMZDQ-UHFFFAOYSA-N 0 3 366.421 3.490 20 5 FGBDHN O=C(Nc1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCO1 ZINC000602521540 507737143 /nfs/dbraw/zinc/73/71/43/507737143.db2.gz PGUDHKOVRSZSGC-IBGZPJMESA-N 0 3 369.421 3.045 20 5 FGBDHN O=C(Nc1ccc2c(c1)OCCNC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602552368 507746291 /nfs/dbraw/zinc/74/62/91/507746291.db2.gz UTBZCARESWPQSX-UHFFFAOYSA-N 0 3 367.405 3.137 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1)N(C)C ZINC000519613485 562137073 /nfs/dbraw/zinc/13/70/73/562137073.db2.gz NTFQYDZRRGHLIG-FZKQIMNGSA-N 0 3 354.414 3.049 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254711 607089212 /nfs/dbraw/zinc/08/92/12/607089212.db2.gz VJGSTQWSSOOMAJ-ZIAGYGMSSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254711 607089214 /nfs/dbraw/zinc/08/92/14/607089214.db2.gz VJGSTQWSSOOMAJ-ZIAGYGMSSA-N 0 3 366.425 3.447 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2cccc(Br)c2)cc1 ZINC000037894572 695755318 /nfs/dbraw/zinc/75/53/18/695755318.db2.gz BLCUHIOBCJVXBM-HNNXBMFYSA-N 0 3 351.200 3.181 20 5 FGBDHN CC(C)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000077356726 700250054 /nfs/dbraw/zinc/25/00/54/700250054.db2.gz ZFLBEVPBIVHXOB-UHFFFAOYSA-N 0 3 355.822 3.076 20 5 FGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000779152808 724395742 /nfs/dbraw/zinc/39/57/42/724395742.db2.gz GNOPTGUDWJMHGC-WFASDCNBSA-N 0 3 357.248 3.340 20 5 FGBDHN CC[S@@](=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000733899946 722502080 /nfs/dbraw/zinc/50/20/80/722502080.db2.gz GPQHLBLDSQBJIW-RUZDIDTESA-N 0 3 361.467 3.221 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000791407063 723240079 /nfs/dbraw/zinc/24/00/79/723240079.db2.gz DSHVNCAEROXSCA-MRXNPFEDSA-N 0 3 361.829 3.079 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCCN2C2CC2)cc1Cl ZINC000764941835 723462140 /nfs/dbraw/zinc/46/21/40/723462140.db2.gz OWAXYLWQUGMFLB-GFCCVEGCSA-N 0 3 367.833 3.464 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)C(C)(C)C ZINC000772979065 723773757 /nfs/dbraw/zinc/77/37/57/723773757.db2.gz KKKWFJWMRMIIER-ZDUSSCGKSA-N 0 3 374.528 3.268 20 5 FGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271926 724127077 /nfs/dbraw/zinc/12/70/77/724127077.db2.gz OVNFKHUYOHHRDB-MRXNPFEDSA-N 0 3 352.337 3.362 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000784487342 724857846 /nfs/dbraw/zinc/85/78/46/724857846.db2.gz RBHHUHYJGXZKHD-CYBMUJFWSA-N 0 3 354.332 3.300 20 5 FGBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809697484 725260020 /nfs/dbraw/zinc/26/00/20/725260020.db2.gz HSEHVLKUXWAGSP-AWEZNQCLSA-N 0 3 366.849 3.018 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000809952045 725278136 /nfs/dbraw/zinc/27/81/36/725278136.db2.gz NSBJFDLTSICEKU-LBPRGKRZSA-N 0 3 374.268 3.056 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000811812433 725381188 /nfs/dbraw/zinc/38/11/88/725381188.db2.gz RLESRJAMJHHMJG-UWVGGRQHSA-N 0 3 353.806 3.072 20 5 FGBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000813114526 726840274 /nfs/dbraw/zinc/84/02/74/726840274.db2.gz SJLASAWTZHWQMZ-NSHDSACASA-N 0 3 351.790 3.471 20 5 FGBDHN CCN(CC)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112973 726840487 /nfs/dbraw/zinc/84/04/87/726840487.db2.gz MVNMRJGQZZTDBZ-BXUZGUMPSA-N 0 3 362.348 3.297 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCCC1 ZINC000815074195 727032383 /nfs/dbraw/zinc/03/23/83/727032383.db2.gz LKAWNWLMIZAPMK-NSHDSACASA-N 0 3 359.348 3.218 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000820309376 728983453 /nfs/dbraw/zinc/98/34/53/728983453.db2.gz SVOQETDVVBIHQL-ZDUSSCGKSA-N 0 3 363.483 3.263 20 5 FGBDHN Cc1c(Cl)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845882569 730906071 /nfs/dbraw/zinc/90/60/71/730906071.db2.gz VZFMRQYVMRTQMY-OTYXRUKQSA-N 0 3 355.753 3.084 20 5 FGBDHN COc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1Cl ZINC000845882662 730906090 /nfs/dbraw/zinc/90/60/90/730906090.db2.gz PKKMMUQFIMIEAQ-OTYXRUKQSA-N 0 3 368.748 3.446 20 5 FGBDHN COc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1Cl ZINC000845882665 730906110 /nfs/dbraw/zinc/90/61/10/730906110.db2.gz PKKMMUQFIMIEAQ-YMTOWFKASA-N 0 3 368.748 3.446 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c(C(F)F)c1 ZINC000865435561 733200337 /nfs/dbraw/zinc/20/03/37/733200337.db2.gz KGBGAEKKHAZUMO-CQSZACIVSA-N 0 3 355.385 3.224 20 5 FGBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827054 735935315 /nfs/dbraw/zinc/93/53/15/735935315.db2.gz BPCKWHJIXZBXCZ-CHWSQXEVSA-N 0 3 358.225 3.210 20 5 FGBDHN O=[N+]([O-])c1c(F)nccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000882287186 737440310 /nfs/dbraw/zinc/44/03/10/737440310.db2.gz XCALHYNFAGSKSV-UHFFFAOYSA-N 0 3 362.327 3.346 20 5 FGBDHN Cc1csc(C[C@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000886691838 739285347 /nfs/dbraw/zinc/28/53/47/739285347.db2.gz NRPWXPYWEVQAGW-RHSMWYFYSA-N 0 3 361.467 3.348 20 5 FGBDHN COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CCCOC1 ZINC000886791205 739300498 /nfs/dbraw/zinc/30/04/98/739300498.db2.gz ZRYNZUSJQAQQLC-WWGRRREGSA-N 0 3 354.472 3.409 20 5 FGBDHN CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000893402954 742149849 /nfs/dbraw/zinc/14/98/49/742149849.db2.gz WIFZEKXUWCTSGH-GDBMZVCRSA-N 0 3 352.431 3.382 20 5 FGBDHN COc1ccc([C@@H](CO)CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000894860393 742344106 /nfs/dbraw/zinc/34/41/06/742344106.db2.gz CDTZCJDEMRIBJF-CQSZACIVSA-N 0 3 350.802 3.123 20 5 FGBDHN C[C@H]1CC2(CC(NCc3cc(Br)c([N+](=O)[O-])s3)C2)CO1 ZINC000897776699 742712591 /nfs/dbraw/zinc/71/25/91/742712591.db2.gz VAHHPDVXPFMBPP-BVDKZHGWSA-N 0 3 361.261 3.466 20 5 FGBDHN C[C@@H](Cc1cccnc1)NCc1cccc([N+](=O)[O-])c1Br ZINC000934229634 761565657 /nfs/dbraw/zinc/56/56/57/761565657.db2.gz JUZPPPQYVMCZEO-NSHDSACASA-N 0 3 350.216 3.473 20 5 FGBDHN COC(=O)COc1ccc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000573588963 505572736 /nfs/dbraw/zinc/57/27/36/505572736.db2.gz SOAYOGUASWCRJP-GJZGRUSLSA-N 0 3 362.426 3.157 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000068386062 493808896 /nfs/dbraw/zinc/80/88/96/493808896.db2.gz PVROLZJHZWQSKP-HNNXBMFYSA-N 0 3 371.437 3.219 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000029166761 493822365 /nfs/dbraw/zinc/82/23/65/493822365.db2.gz NBGMYYOXOHOQBL-SFHVURJKSA-N 0 3 371.437 3.416 20 5 FGBDHN COc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029177494 493822925 /nfs/dbraw/zinc/82/29/25/493822925.db2.gz NNIGXXGEZWUCHH-KRWDZBQOSA-N 0 3 369.421 3.170 20 5 FGBDHN CC(C)N1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799407 493876251 /nfs/dbraw/zinc/87/62/51/493876251.db2.gz PHUDEFQKQYMUBY-CQSZACIVSA-N 0 3 351.472 3.018 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Nc2ccccc2)C1 ZINC000060369960 493927952 /nfs/dbraw/zinc/92/79/52/493927952.db2.gz HAJTXUKHENUREP-KRWDZBQOSA-N 0 3 368.437 3.418 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000031519773 493946005 /nfs/dbraw/zinc/94/60/05/493946005.db2.gz LXJNNBTYDUHAQD-GOSISDBHSA-N 0 3 371.437 3.091 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000032246221 493978213 /nfs/dbraw/zinc/97/82/13/493978213.db2.gz AZPGQMULRDUTAL-IBGZPJMESA-N 0 3 355.438 3.498 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006992916 493993043 /nfs/dbraw/zinc/99/30/43/493993043.db2.gz FMADIHOGORIDPC-UHFFFAOYSA-N 0 3 368.437 3.161 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000032735420 494010132 /nfs/dbraw/zinc/01/01/32/494010132.db2.gz BNOURASBXWRYSL-IBGZPJMESA-N 0 3 355.438 3.119 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000064521803 494131318 /nfs/dbraw/zinc/13/13/18/494131318.db2.gz UNACNBVWDZXTNL-CQSZACIVSA-N 0 3 359.451 3.298 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000042671953 494235946 /nfs/dbraw/zinc/23/59/46/494235946.db2.gz VVNBGHCGVHPFEU-HNNXBMFYSA-N 0 3 361.829 3.151 20 5 FGBDHN COCCOC[C@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000072796722 494252088 /nfs/dbraw/zinc/25/20/88/494252088.db2.gz ISYBIHZXJKNFJZ-INIZCTEOSA-N 0 3 367.445 3.431 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000043149318 494271056 /nfs/dbraw/zinc/27/10/56/494271056.db2.gz AQWKOPBDLVJQEM-UHFFFAOYSA-N 0 3 368.437 3.473 20 5 FGBDHN Cc1c(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000043348014 494290412 /nfs/dbraw/zinc/29/04/12/494290412.db2.gz GTYLNTZRJSEALB-MRXNPFEDSA-N 0 3 356.426 3.198 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000055404545 494338652 /nfs/dbraw/zinc/33/86/52/494338652.db2.gz UGJSZQHOJWLAPO-QWHCGFSZSA-N 0 3 351.472 3.167 20 5 FGBDHN COC(=O)COc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000089730429 494350331 /nfs/dbraw/zinc/35/03/31/494350331.db2.gz NWLTVMCEACGNJP-AWEZNQCLSA-N 0 3 358.394 3.306 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000066663293 494377978 /nfs/dbraw/zinc/37/79/78/494377978.db2.gz RYQLYMCMXGTTGH-UHFFFAOYSA-N 0 3 363.443 3.070 20 5 FGBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-] ZINC000090217413 494455567 /nfs/dbraw/zinc/45/55/67/494455567.db2.gz JUGCHCJEUGYMSF-KGLIPLIRSA-N 0 3 352.398 3.291 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000056168299 494464687 /nfs/dbraw/zinc/46/46/87/494464687.db2.gz ZOVUBXVYRDMGOF-YJBOKZPZSA-N 0 3 353.422 3.089 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000090552875 494481026 /nfs/dbraw/zinc/48/10/26/494481026.db2.gz UUVQXVKEDLWGJG-FQEVSTJZSA-N 0 3 363.417 3.330 20 5 FGBDHN Cn1cc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(F)(F)F)n1 ZINC000090666239 494491796 /nfs/dbraw/zinc/49/17/96/494491796.db2.gz SBUZPTFYJMJLKO-CQSZACIVSA-N 0 3 368.359 3.458 20 5 FGBDHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000079842702 494534740 /nfs/dbraw/zinc/53/47/40/494534740.db2.gz OOIUHGCMZREYTQ-RDTXWAMCSA-N 0 3 356.426 3.258 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccccn1 ZINC000091701731 494651706 /nfs/dbraw/zinc/65/17/06/494651706.db2.gz FPSFAPADQCSCRU-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000121287952 494684264 /nfs/dbraw/zinc/68/42/64/494684264.db2.gz NWSWRAKFQQGNQV-UHFFFAOYSA-N 0 3 371.437 3.380 20 5 FGBDHN C[C@H](NC(=O)c1ccccc1OCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000080360751 494684838 /nfs/dbraw/zinc/68/48/38/494684838.db2.gz UIKPJWFNUOWXID-AWEZNQCLSA-N 0 3 357.410 3.026 20 5 FGBDHN CCN1CCC(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)CC1 ZINC000057370735 494724107 /nfs/dbraw/zinc/72/41/07/494724107.db2.gz HHRPXNNYBLQTCF-UHFFFAOYSA-N 0 3 351.834 3.337 20 5 FGBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000126393129 494735737 /nfs/dbraw/zinc/73/57/37/494735737.db2.gz ZWNKYGWRKKKSKO-UHFFFAOYSA-N 0 3 364.405 3.005 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](c1cccs1)N1CCOCC1 ZINC000571460920 505738822 /nfs/dbraw/zinc/73/88/22/505738822.db2.gz DBOLPNKKGQVIDG-FUHWJXTLSA-N 0 3 373.478 3.307 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000580366720 505741701 /nfs/dbraw/zinc/74/17/01/505741701.db2.gz LZRSWAPYRBLXMV-ZYHUDNBSSA-N 0 3 351.428 3.417 20 5 FGBDHN Cc1sc(C(=O)NCC(C)(C)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000108818479 494790802 /nfs/dbraw/zinc/79/08/02/494790802.db2.gz TYRHINPFVWCTAT-TXEJJXNPSA-N 0 3 353.488 3.451 20 5 FGBDHN Cn1cc(CN2CCC[C@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092967023 494797806 /nfs/dbraw/zinc/79/78/06/494797806.db2.gz FWWWCRZPCCCQNP-SFHVURJKSA-N 0 3 366.425 3.029 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026221456 494811370 /nfs/dbraw/zinc/81/13/70/494811370.db2.gz OMOJYEOXYAQZNX-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN CN(Cc1cccc(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712434 494834608 /nfs/dbraw/zinc/83/46/08/494834608.db2.gz IIDSVOGKKNWMCL-INIZCTEOSA-N 0 3 350.802 3.120 20 5 FGBDHN CN(C)CCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCO1 ZINC000574320087 505745955 /nfs/dbraw/zinc/74/59/55/505745955.db2.gz PIRSMCYQZCQWSH-GOSISDBHSA-N 0 3 373.453 3.397 20 5 FGBDHN C[S@](=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000116919726 494871000 /nfs/dbraw/zinc/87/10/00/494871000.db2.gz FPBVILJYIZFRNP-HSZRJFAPSA-N 0 3 356.831 3.366 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccsc2C1 ZINC000132470078 494879525 /nfs/dbraw/zinc/87/95/25/494879525.db2.gz WQZWDUCUZGZZEK-UHFFFAOYSA-N 0 3 361.423 3.052 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC[C@@H](C)C1 ZINC000132780285 494923950 /nfs/dbraw/zinc/92/39/50/494923950.db2.gz AOPLFGFTBMVDFA-CVEARBPZSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117765158 494953797 /nfs/dbraw/zinc/95/37/97/494953797.db2.gz ILXXQJXNPFMNRI-QWHCGFSZSA-N 0 3 353.850 3.027 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCOc3ccc(F)cc3)C2)nc1 ZINC000118866587 495050085 /nfs/dbraw/zinc/05/00/85/495050085.db2.gz GXKRJNUSFXJEPR-OAHLLOKOSA-N 0 3 360.389 3.084 20 5 FGBDHN C[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119438525 495167175 /nfs/dbraw/zinc/16/71/75/495167175.db2.gz LJRMKRAEBUHZJG-APWZRJJASA-N 0 3 367.449 3.479 20 5 FGBDHN C[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119438253 495167402 /nfs/dbraw/zinc/16/74/02/495167402.db2.gz LJRMKRAEBUHZJG-VQIMIIECSA-N 0 3 367.449 3.479 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C4CCOCC4)CC3)o2)cc1 ZINC000129747212 495289194 /nfs/dbraw/zinc/28/91/94/495289194.db2.gz OGXBUZCHAGWLLV-UHFFFAOYSA-N 0 3 371.437 3.151 20 5 FGBDHN CCOC(=O)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661386 495295256 /nfs/dbraw/zinc/29/52/56/495295256.db2.gz ISVMILVYGPYOMM-UHFFFAOYSA-N 0 3 373.409 3.067 20 5 FGBDHN CCOC(=O)CC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124751556 495337301 /nfs/dbraw/zinc/33/73/01/495337301.db2.gz QFLTVRMEAFLKAK-UHFFFAOYSA-N 0 3 350.415 3.029 20 5 FGBDHN CN1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000130108948 495342911 /nfs/dbraw/zinc/34/29/11/495342911.db2.gz HWWXVSIMPCNHKK-DNVCBOLYSA-N 0 3 373.478 3.398 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120315608 495350247 /nfs/dbraw/zinc/35/02/47/495350247.db2.gz FYHFXCWWELEGEO-UHFFFAOYSA-N 0 3 352.394 3.068 20 5 FGBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000138715648 495467305 /nfs/dbraw/zinc/46/73/05/495467305.db2.gz YQZUXQVFFPUXPT-UHFFFAOYSA-N 0 3 371.462 3.438 20 5 FGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120954197 495491644 /nfs/dbraw/zinc/49/16/44/495491644.db2.gz XBZHOYBWXWJXRN-LRDDRELGSA-N 0 3 374.466 3.131 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888098 495506942 /nfs/dbraw/zinc/50/69/42/495506942.db2.gz BKCZOSNPWFOLJS-UHFFFAOYSA-N 0 3 369.421 3.380 20 5 FGBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115565861 495518275 /nfs/dbraw/zinc/51/82/75/495518275.db2.gz UVJAUCBLISEEFP-UPTPFMHGSA-N 0 3 374.485 3.118 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCS(=O)(=O)c1ccccc1 ZINC000158662512 495560806 /nfs/dbraw/zinc/56/08/06/495560806.db2.gz FFJVTWGDWPJEBB-HNNXBMFYSA-N 0 3 362.451 3.418 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000179422464 495585073 /nfs/dbraw/zinc/58/50/73/495585073.db2.gz RBPPRRFIYYGYAI-ACJLOTCBSA-N 0 3 360.410 3.386 20 5 FGBDHN CC[C@H](NCc1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000179511632 495622737 /nfs/dbraw/zinc/62/27/37/495622737.db2.gz LFPNBJNGCRBTSU-SFHVURJKSA-N 0 3 358.442 3.171 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000577793753 505793704 /nfs/dbraw/zinc/79/37/04/505793704.db2.gz WEOYPWRZKRQRAN-OAHLLOKOSA-N 0 3 357.458 3.220 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000182648034 495648835 /nfs/dbraw/zinc/64/88/35/495648835.db2.gz TYWYFIOGCHSSIV-UKRRQHHQSA-N 0 3 356.378 3.432 20 5 FGBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnn(C)c1 ZINC000170914583 495650500 /nfs/dbraw/zinc/65/05/00/495650500.db2.gz PUJIRFIDLNULRJ-UHFFFAOYSA-N 0 3 355.398 3.048 20 5 FGBDHN COc1cc(C)c([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000179627086 495667066 /nfs/dbraw/zinc/66/70/66/495667066.db2.gz AMFZKFPSBBAGGJ-CXAGYDPISA-N 0 3 360.410 3.305 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(OCCN(C)C)c1 ZINC000151305948 495800143 /nfs/dbraw/zinc/80/01/43/495800143.db2.gz VHBLFBHLMROZEO-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN O=C(CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1cccnc1 ZINC000574566895 505804407 /nfs/dbraw/zinc/80/44/07/505804407.db2.gz WFNMFZGFMTUFGE-UHFFFAOYSA-N 0 3 368.315 3.127 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151341800 495809586 /nfs/dbraw/zinc/80/95/86/495809586.db2.gz KTRMQZCFPUQFFF-RHSMWYFYSA-N 0 3 352.456 3.138 20 5 FGBDHN CC(C)(NCCOc1ccccc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000155268826 495897899 /nfs/dbraw/zinc/89/78/99/495897899.db2.gz PWDZRIVOXNXAOV-UHFFFAOYSA-N 0 3 363.458 3.038 20 5 FGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cn1C ZINC000151634399 495901068 /nfs/dbraw/zinc/90/10/68/495901068.db2.gz LFIDHISGOLJGSG-UHFFFAOYSA-N 0 3 352.232 3.370 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177144665 495947346 /nfs/dbraw/zinc/94/73/46/495947346.db2.gz ANDMWCBKLMTJOT-AAEUAGOBSA-N 0 3 372.450 3.073 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186386331 495978026 /nfs/dbraw/zinc/97/80/26/495978026.db2.gz FKBWARLOMWELMW-ZBFHGGJFSA-N 0 3 369.849 3.370 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(Cn2ccccc2=O)cc1 ZINC000183452642 495990222 /nfs/dbraw/zinc/99/02/22/495990222.db2.gz YHZGDRBYOYPQNJ-UHFFFAOYSA-N 0 3 363.417 3.403 20 5 FGBDHN COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000174538159 495999803 /nfs/dbraw/zinc/99/98/03/495999803.db2.gz PEGSGODURKGTTK-UHFFFAOYSA-N 0 3 373.409 3.078 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000177479220 496077754 /nfs/dbraw/zinc/07/77/54/496077754.db2.gz GDPCKNRPFQPOLV-HUUCEWRRSA-N 0 3 367.515 3.368 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@]2(CCO)CCOC2)c2ccccc2)c1 ZINC000180776321 496142499 /nfs/dbraw/zinc/14/24/99/496142499.db2.gz PXBBVJALCSUAMF-WOJBJXKFSA-N 0 3 356.422 3.063 20 5 FGBDHN COc1ccc(COC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000177788513 496196995 /nfs/dbraw/zinc/19/69/95/496196995.db2.gz NIUVLPXCQUYCST-YJBOKZPZSA-N 0 3 374.437 3.140 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC[C@H](F)C2)c1 ZINC000574680060 505830068 /nfs/dbraw/zinc/83/00/68/505830068.db2.gz PQOKTIFSKPMRQR-GXSJLCMTSA-N 0 3 364.158 3.180 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000152940854 496302560 /nfs/dbraw/zinc/30/25/60/496302560.db2.gz ISBJCVQTLGAHGG-UHFFFAOYSA-N 0 3 370.409 3.024 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187264760 496367788 /nfs/dbraw/zinc/36/77/88/496367788.db2.gz DPARVGJBVJSGDL-SCLBCKFNSA-N 0 3 357.410 3.025 20 5 FGBDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000184621899 496468141 /nfs/dbraw/zinc/46/81/41/496468141.db2.gz FDJVABQPPKARFT-UHFFFAOYSA-N 0 3 360.336 3.172 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC000184665625 496485778 /nfs/dbraw/zinc/48/57/78/496485778.db2.gz CQQPVWOWNRCFFQ-UHFFFAOYSA-N 0 3 360.845 3.397 20 5 FGBDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181662778 496492181 /nfs/dbraw/zinc/49/21/81/496492181.db2.gz AURYKRIPDFJJAZ-QGZVFWFLSA-N 0 3 359.401 3.190 20 5 FGBDHN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000178539820 496492554 /nfs/dbraw/zinc/49/25/54/496492554.db2.gz BRCALWKWODZVKF-KXBFYZLASA-N 0 3 355.438 3.370 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000163509334 496525382 /nfs/dbraw/zinc/52/53/82/496525382.db2.gz UTRPBBMLAMCVHG-OAHLLOKOSA-N 0 3 360.458 3.001 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153646796 496530748 /nfs/dbraw/zinc/53/07/48/496530748.db2.gz SAMORHAARYWMRO-UHFFFAOYSA-N 0 3 350.806 3.196 20 5 FGBDHN CC[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC)cc1 ZINC000181831626 496564162 /nfs/dbraw/zinc/56/41/62/496564162.db2.gz YBIDTDYMSBCTLF-RBUKOAKNSA-N 0 3 369.421 3.450 20 5 FGBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000153795106 496581826 /nfs/dbraw/zinc/58/18/26/496581826.db2.gz SWKZYRHDNSSXGZ-AWEZNQCLSA-N 0 3 361.833 3.139 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000173255763 496614344 /nfs/dbraw/zinc/61/43/44/496614344.db2.gz BELRLFFUDYLXIX-OAHLLOKOSA-N 0 3 363.483 3.068 20 5 FGBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000188111492 496687661 /nfs/dbraw/zinc/68/76/61/496687661.db2.gz QTNGMRMPZSASMV-DYVFJYSZSA-N 0 3 358.394 3.486 20 5 FGBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182305946 496728761 /nfs/dbraw/zinc/72/87/61/496728761.db2.gz FESFKEUUDWJJHL-LBPRGKRZSA-N 0 3 357.366 3.003 20 5 FGBDHN CCNC(=O)COc1cccc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000268772055 496779809 /nfs/dbraw/zinc/77/98/09/496779809.db2.gz FMMPMVVVDFNTJV-IBGZPJMESA-N 0 3 371.437 3.351 20 5 FGBDHN Cc1ccc([C@@H](C)NCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000268785852 496785594 /nfs/dbraw/zinc/78/55/94/496785594.db2.gz VOMRQAYJEHCTFR-OAHLLOKOSA-N 0 3 351.410 3.394 20 5 FGBDHN CCNC(=O)COc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000268822875 496795307 /nfs/dbraw/zinc/79/53/07/496795307.db2.gz YCBRVJIAUZYDET-HNNXBMFYSA-N 0 3 371.437 3.269 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247529180 496880692 /nfs/dbraw/zinc/88/06/92/496880692.db2.gz XBZHOYBWXWJXRN-MLGOLLRUSA-N 0 3 374.466 3.131 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000269418083 496943008 /nfs/dbraw/zinc/94/30/08/496943008.db2.gz WVCGWRXAJYCKMG-HNNXBMFYSA-N 0 3 371.441 3.008 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000195625172 496956205 /nfs/dbraw/zinc/95/62/05/496956205.db2.gz UONNIHBFQXIERW-ZNMIVQPWSA-N 0 3 365.499 3.170 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000248453761 497017066 /nfs/dbraw/zinc/01/70/66/497017066.db2.gz KBMGTXYLVKIGHP-FUHWJXTLSA-N 0 3 374.412 3.038 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000248617023 497059248 /nfs/dbraw/zinc/05/92/48/497059248.db2.gz ZFKDMKGALWVMJL-MGPQQGTHSA-N 0 3 351.422 3.074 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000192500977 497133417 /nfs/dbraw/zinc/13/34/17/497133417.db2.gz FDARHFHFJBMSMB-IBGZPJMESA-N 0 3 355.394 3.283 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](N4CCCCC4)C3)co2)cc1 ZINC000270586284 497153995 /nfs/dbraw/zinc/15/39/95/497153995.db2.gz JJVVSFWDISRDSP-SFHVURJKSA-N 0 3 356.426 3.310 20 5 FGBDHN COc1ccc(C[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000278593264 497160163 /nfs/dbraw/zinc/16/01/63/497160163.db2.gz FDNCYHVUFACSIG-GFCCVEGCSA-N 0 3 370.409 3.209 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000265724931 497169323 /nfs/dbraw/zinc/16/93/23/497169323.db2.gz NXYVWWYSCGEEIE-HOCLYGCPSA-N 0 3 356.426 3.048 20 5 FGBDHN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1=CCN(C)CC1 ZINC000278869105 497248200 /nfs/dbraw/zinc/24/82/00/497248200.db2.gz XUEPIYMIKCGWFO-AWEZNQCLSA-N 0 3 361.445 3.474 20 5 FGBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000275260411 497267885 /nfs/dbraw/zinc/26/78/85/497267885.db2.gz HXPUTZMHGFYPMT-IESGORFISA-N 0 3 356.426 3.078 20 5 FGBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCC(F)(F)F ZINC000237874747 497306206 /nfs/dbraw/zinc/30/62/06/497306206.db2.gz VEIJMSREONYVFJ-UHFFFAOYSA-N 0 3 373.356 3.091 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(O)CCOCC3)o2)c(Cl)c1 ZINC000238143849 497343358 /nfs/dbraw/zinc/34/33/58/497343358.db2.gz XRZMHMXSRHIOQA-UHFFFAOYSA-N 0 3 366.801 3.139 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C1)CCOCC2 ZINC000266610021 497381166 /nfs/dbraw/zinc/38/11/66/497381166.db2.gz HPVDXVGVYSVRLQ-CYBMUJFWSA-N 0 3 358.398 3.208 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275755591 497423473 /nfs/dbraw/zinc/42/34/73/497423473.db2.gz YVFDXKOUCYOZPQ-NSHDSACASA-N 0 3 371.387 3.053 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245531577 497442228 /nfs/dbraw/zinc/44/22/28/497442228.db2.gz TXQIZGBLHIKDMT-RYUDHWBXSA-N 0 3 371.384 3.046 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000193772827 497476670 /nfs/dbraw/zinc/47/66/70/497476670.db2.gz QJSZUPYGRMGLCK-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193793092 497484521 /nfs/dbraw/zinc/48/45/21/497484521.db2.gz SOVWQZBEMUEWRY-KRWDZBQOSA-N 0 3 353.422 3.155 20 5 FGBDHN COc1cc(CN[C@@H]2CCCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272360486 497607407 /nfs/dbraw/zinc/60/74/07/497607407.db2.gz FJCCGTGXUIHWBO-LLVKDONJSA-N 0 3 362.398 3.233 20 5 FGBDHN Cc1noc(C[C@H](NCCOc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277199961 497773324 /nfs/dbraw/zinc/77/33/24/497773324.db2.gz MNTHAJIJSGOJJT-SFHVURJKSA-N 0 3 368.393 3.239 20 5 FGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280503237 497774913 /nfs/dbraw/zinc/77/49/13/497774913.db2.gz NDVIBMROXLAKQE-LLVKDONJSA-N 0 3 366.215 3.482 20 5 FGBDHN CN(c1ccc(F)cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000301120780 497961003 /nfs/dbraw/zinc/96/10/03/497961003.db2.gz MFTCSKQBYIISFH-UHFFFAOYSA-N 0 3 358.417 3.272 20 5 FGBDHN Cc1ccccc1C(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000578555715 505967071 /nfs/dbraw/zinc/96/70/71/505967071.db2.gz QKKRDUDKKYIRAY-UHFFFAOYSA-N 0 3 353.422 3.317 20 5 FGBDHN COc1ccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(OC)n1 ZINC000578561685 505968043 /nfs/dbraw/zinc/96/80/43/505968043.db2.gz QVCNGFVQPKCXKH-INIZCTEOSA-N 0 3 357.410 3.118 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301329074 498058477 /nfs/dbraw/zinc/05/84/77/498058477.db2.gz CTZZFJCEWYZZCA-AWEZNQCLSA-N 0 3 371.466 3.405 20 5 FGBDHN Cc1sc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000364656619 498072272 /nfs/dbraw/zinc/07/22/72/498072272.db2.gz AVVPPTFKKLMCKQ-YOEHRIQHSA-N 0 3 374.466 3.125 20 5 FGBDHN Cc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835548 498286209 /nfs/dbraw/zinc/28/62/09/498286209.db2.gz ULBFCYQPSKETHD-DZGCQCFKSA-N 0 3 353.426 3.397 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)C2C[C@@H](c3ccccc3)OC2=O)cc1[N+](=O)[O-] ZINC000289824849 498311380 /nfs/dbraw/zinc/31/13/80/498311380.db2.gz UCBCVTXPTVIABE-OWQGQXMQSA-N 0 3 368.389 3.385 20 5 FGBDHN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CCC2)C1 ZINC000293628588 498433410 /nfs/dbraw/zinc/43/34/10/498433410.db2.gz GHEDSCQBWGEEDG-CYBMUJFWSA-N 0 3 356.426 3.023 20 5 FGBDHN CNC(=O)c1cccc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000302201201 498440704 /nfs/dbraw/zinc/44/07/04/498440704.db2.gz VETBWTGXWXZYLD-UHFFFAOYSA-N 0 3 364.405 3.466 20 5 FGBDHN O=C(NC1CC1)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000362099825 498464752 /nfs/dbraw/zinc/46/47/52/498464752.db2.gz SXORWSICAGSQTC-UHFFFAOYSA-N 0 3 369.421 3.345 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000365490135 498494351 /nfs/dbraw/zinc/49/43/51/498494351.db2.gz HBGCXBGHCCLFIO-JZLODUJNSA-N 0 3 353.378 3.053 20 5 FGBDHN Cc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000362362461 498503882 /nfs/dbraw/zinc/50/38/82/498503882.db2.gz MTNRQZFJJIOBOH-RDTXWAMCSA-N 0 3 359.451 3.416 20 5 FGBDHN CCc1ccc(C(=O)N(C)C2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000365761995 498628632 /nfs/dbraw/zinc/62/86/32/498628632.db2.gz ASMZEJDKSFAUFV-UHFFFAOYSA-N 0 3 368.437 3.293 20 5 FGBDHN CNC(=O)[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000578987632 506068356 /nfs/dbraw/zinc/06/83/56/506068356.db2.gz AAZCMHVOOAETBX-RHSMWYFYSA-N 0 3 373.428 3.298 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294527647 498719293 /nfs/dbraw/zinc/71/92/93/498719293.db2.gz IPRCRWOKGTZAJT-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287345638 498724428 /nfs/dbraw/zinc/72/44/28/498724428.db2.gz PPPOLABCJPCZPU-UHFFFAOYSA-N 0 3 370.453 3.405 20 5 FGBDHN COc1ccc(CN[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000311600233 498752476 /nfs/dbraw/zinc/75/24/76/498752476.db2.gz GPCLIDPGYVBQDM-MAUKXSAKSA-N 0 3 355.438 3.356 20 5 FGBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1F ZINC000311401895 498752618 /nfs/dbraw/zinc/75/26/18/498752618.db2.gz ACCDTCSGTFTQBB-UHFFFAOYSA-N 0 3 357.385 3.128 20 5 FGBDHN Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000312041896 498756813 /nfs/dbraw/zinc/75/68/13/498756813.db2.gz WRSUYWDPMSJULH-ZWKOTPCHSA-N 0 3 352.438 3.257 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCCn2cc(Br)cn2)c(Cl)c1 ZINC000314728247 498779212 /nfs/dbraw/zinc/77/92/12/498779212.db2.gz GDVIIYMSAXZXJU-UHFFFAOYSA-N 0 3 373.638 3.387 20 5 FGBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294836442 498821160 /nfs/dbraw/zinc/82/11/60/498821160.db2.gz DPWJLAATORLJSQ-SFHVURJKSA-N 0 3 361.486 3.193 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000369945754 499155328 /nfs/dbraw/zinc/15/53/28/499155328.db2.gz MHYFDXUIKMNLSG-HNNXBMFYSA-N 0 3 351.410 3.092 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000369945755 499155540 /nfs/dbraw/zinc/15/55/40/499155540.db2.gz MHYFDXUIKMNLSG-OAHLLOKOSA-N 0 3 351.410 3.092 20 5 FGBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)C1CCN(c2ccncc2)CC1 ZINC000367276123 499172175 /nfs/dbraw/zinc/17/21/75/499172175.db2.gz AKBPIKFWWDEMIO-UHFFFAOYSA-N 0 3 370.438 3.100 20 5 FGBDHN Cc1ccc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217327 /nfs/dbraw/zinc/21/73/27/499217327.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 0 3 354.454 3.423 20 5 FGBDHN C[C@H](NCCC(=O)N1CCOc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370542697 499230274 /nfs/dbraw/zinc/23/02/74/499230274.db2.gz SQNHMNHYLCINJU-HNNXBMFYSA-N 0 3 369.421 3.057 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C2CCOCC2)C1 ZINC000371066484 499285357 /nfs/dbraw/zinc/28/53/57/499285357.db2.gz SCSCJCMDBVUXES-BBRMVZONSA-N 0 3 372.425 3.454 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369569386 499419727 /nfs/dbraw/zinc/41/97/27/499419727.db2.gz NRXGVFLFUSPCGX-HZMBPMFUSA-N 0 3 351.453 3.141 20 5 FGBDHN Cc1cc(-n2ccnc2)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282857 499461486 /nfs/dbraw/zinc/46/14/86/499461486.db2.gz DUCFSMFVVDHDOZ-UHFFFAOYSA-N 0 3 366.425 3.123 20 5 FGBDHN C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1Cc1ccccc1 ZINC000379678047 499542505 /nfs/dbraw/zinc/54/25/05/499542505.db2.gz DYDWPIBCDNHOJM-ZBFHGGJFSA-N 0 3 365.437 3.358 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000375728846 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371.865 3.065 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000456310978 501494764 /nfs/dbraw/zinc/49/47/64/501494764.db2.gz RFSDUYNTSVFMTH-INIZCTEOSA-N 0 3 353.422 3.189 20 5 FGBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)c(OC)c1 ZINC000582499467 506258846 /nfs/dbraw/zinc/25/88/46/506258846.db2.gz BXSWINLHHVQJMM-AWEZNQCLSA-N 0 3 374.441 3.109 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCN(CC(F)F)C1 ZINC000602696375 506264254 /nfs/dbraw/zinc/26/42/54/506264254.db2.gz QOGRJGWVALQWRU-LLVKDONJSA-N 0 3 353.291 3.043 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CN1CCCC1 ZINC000457023288 501636988 /nfs/dbraw/zinc/63/69/88/501636988.db2.gz GRIMJRKFFBVLBA-ZDUSSCGKSA-N 0 3 351.472 3.066 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710065 506267622 /nfs/dbraw/zinc/26/76/22/506267622.db2.gz XSCCGHXYUFWBAK-UHFFFAOYSA-N 0 3 369.400 3.245 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000477621167 501740799 /nfs/dbraw/zinc/74/07/99/501740799.db2.gz HKARJQPZDPFBRW-YJBOKZPZSA-N 0 3 368.437 3.057 20 5 FGBDHN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000467441265 501795606 /nfs/dbraw/zinc/79/56/06/501795606.db2.gz DFGABOVACLXTGU-KHYOSLBOSA-N 0 3 353.422 3.435 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3nc(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC000481690544 501850699 /nfs/dbraw/zinc/85/06/99/501850699.db2.gz CCQYWAYAYSROAY-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000468172056 501978992 /nfs/dbraw/zinc/97/89/92/501978992.db2.gz ZSDQMGPDXNGFTK-YWZLYKJASA-N 0 3 355.438 3.253 20 5 FGBDHN COC(=O)C[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000464489475 502004025 /nfs/dbraw/zinc/00/40/25/502004025.db2.gz VTFCZQZMGJTBCJ-OAHLLOKOSA-N 0 3 368.405 3.344 20 5 FGBDHN CCC[C@@H]1CCCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475100061 502058524 /nfs/dbraw/zinc/05/85/24/502058524.db2.gz GVQLAJAZOWMCSB-OAHLLOKOSA-N 0 3 350.415 3.301 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000468487355 502077292 /nfs/dbraw/zinc/07/72/92/502077292.db2.gz HWPZFGMTEZTKNJ-MRXNPFEDSA-N 0 3 365.449 3.248 20 5 FGBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596195844 506303357 /nfs/dbraw/zinc/30/33/57/506303357.db2.gz IROURLGRBYDYRK-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599064475 506304107 /nfs/dbraw/zinc/30/41/07/506304107.db2.gz AZWNDBPCZWQCHI-GXTWGEPZSA-N 0 3 357.401 3.374 20 5 FGBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1 ZINC000472452631 502355359 /nfs/dbraw/zinc/35/53/59/502355359.db2.gz YROORNQVAUUOHM-UHFFFAOYSA-N 0 3 353.220 3.076 20 5 FGBDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409407 502379587 /nfs/dbraw/zinc/37/95/87/502379587.db2.gz QMBIIDDAZRKVRY-AZUAARDMSA-N 0 3 374.412 3.137 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075048 506311252 /nfs/dbraw/zinc/31/12/52/506311252.db2.gz RHTPJJHNMUKZOE-SCLBCKFNSA-N 0 3 369.421 3.471 20 5 FGBDHN CN(CCN(C)C1CC1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000472684601 502417464 /nfs/dbraw/zinc/41/74/64/502417464.db2.gz QLNJFFHVFJIHAF-UHFFFAOYSA-N 0 3 353.422 3.356 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469455040 502423845 /nfs/dbraw/zinc/42/38/45/502423845.db2.gz QKQVMPKMMVVFNO-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462487906 502460185 /nfs/dbraw/zinc/46/01/85/502460185.db2.gz LDUQMAPUVAQDKE-UHFFFAOYSA-N 0 3 370.453 3.489 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000487590640 502485736 /nfs/dbraw/zinc/48/57/36/502485736.db2.gz NEWJGCBKRDHCBZ-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN CS[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000487723312 502513886 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FGBDHN C[C@H]1CC(C)(C)CC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481097535 502753956 /nfs/dbraw/zinc/75/39/56/502753956.db2.gz YVNOBYOCROGYJF-NWDGAFQWSA-N 0 3 363.414 3.066 20 5 FGBDHN COc1ccc(-c2ccc(CNCCOC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000473988123 502773100 /nfs/dbraw/zinc/77/31/00/502773100.db2.gz KABLDDMXMQFDFJ-UHFFFAOYSA-N 0 3 360.288 3.489 20 5 FGBDHN COC(=O)COc1ccc(CNC2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000474004502 502777467 /nfs/dbraw/zinc/77/74/67/502777467.db2.gz HCSSNWLILDQROY-UHFFFAOYSA-N 0 3 370.405 3.012 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000513106668 502853025 /nfs/dbraw/zinc/85/30/25/502853025.db2.gz PMLRFZRWPOKKSP-UHFFFAOYSA-N 0 3 353.422 3.331 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000513436164 502938280 /nfs/dbraw/zinc/93/82/80/502938280.db2.gz BPEQALXSUBVBCW-INIZCTEOSA-N 0 3 353.378 3.374 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509574464 502938700 /nfs/dbraw/zinc/93/87/00/502938700.db2.gz RVXMHHNYTTUVNK-ZBFHGGJFSA-N 0 3 374.441 3.459 20 5 FGBDHN COc1c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505596011 502944295 /nfs/dbraw/zinc/94/42/95/502944295.db2.gz IVSWYLHFJNACCK-DYVFJYSZSA-N 0 3 357.410 3.025 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CC ZINC000505736055 502975736 /nfs/dbraw/zinc/97/57/36/502975736.db2.gz LJWUXTJSMNXDSF-CQSZACIVSA-N 0 3 351.472 3.311 20 5 FGBDHN COc1ccc(CN[C@@H](C)c2ccccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000513659819 502993639 /nfs/dbraw/zinc/99/36/39/502993639.db2.gz DKASPIULUAGZDN-ZDUSSCGKSA-N 0 3 353.382 3.035 20 5 FGBDHN COc1ccc(CNCc2ccccc2-c2ccnn2C)cc1[N+](=O)[O-] ZINC000510285135 503085138 /nfs/dbraw/zinc/08/51/38/503085138.db2.gz AXXFHCJONWZLMW-UHFFFAOYSA-N 0 3 352.394 3.294 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C)N(C)C ZINC000510524443 503133203 /nfs/dbraw/zinc/13/32/03/503133203.db2.gz LFOVLSJGKYXKHY-RDTXWAMCSA-N 0 3 356.426 3.028 20 5 FGBDHN COc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)cc1[N+](=O)[O-] ZINC000510525719 503134256 /nfs/dbraw/zinc/13/42/56/503134256.db2.gz NTQREGHSJIRKQL-IFXJQAMLSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)cc1[N+](=O)[O-] ZINC000510525720 503134272 /nfs/dbraw/zinc/13/42/72/503134272.db2.gz NTQREGHSJIRKQL-KUHUBIRLSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000510542195 503139162 /nfs/dbraw/zinc/13/91/62/503139162.db2.gz XVXIERMDVAQYFV-SCLBCKFNSA-N 0 3 359.401 3.464 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000498404410 503179914 /nfs/dbraw/zinc/17/99/14/503179914.db2.gz ORLBGNNEHBAQHA-GOEBONIOSA-N 0 3 374.441 3.159 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510970711 503227491 /nfs/dbraw/zinc/22/74/91/503227491.db2.gz SVFITDQWAZRKBO-CHWSQXEVSA-N 0 3 373.375 3.436 20 5 FGBDHN CC(C)CN(C(=O)CSc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000511045488 503241245 /nfs/dbraw/zinc/24/12/45/503241245.db2.gz KGNAWVOABRZHNE-UHFFFAOYSA-N 0 3 365.499 3.266 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000499143048 503343159 /nfs/dbraw/zinc/34/31/59/503343159.db2.gz VYYCURJWPYVOPV-ZDUSSCGKSA-N 0 3 351.472 3.167 20 5 FGBDHN O=C(CCN1CCC(Cc2nccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602956416 506365827 /nfs/dbraw/zinc/36/58/27/506365827.db2.gz POECMJNEBKCCBG-UHFFFAOYSA-N 0 3 374.466 3.335 20 5 FGBDHN CCOc1cc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582555 503375596 /nfs/dbraw/zinc/37/55/96/503375596.db2.gz LUVLQAWDUKHVPX-JKSUJKDBSA-N 0 3 366.483 3.480 20 5 FGBDHN C[C@@H]1CN(CC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000507916959 503395045 /nfs/dbraw/zinc/39/50/45/503395045.db2.gz FZYOTLXIXDETGF-GASCZTMLSA-N 0 3 365.449 3.055 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000494058346 503480860 /nfs/dbraw/zinc/48/08/60/503480860.db2.gz FQOGUBBMGWJRFP-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000516332008 503496043 /nfs/dbraw/zinc/49/60/43/503496043.db2.gz LAOWKNPGRVKFKH-IBGZPJMESA-N 0 3 370.453 3.206 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCn4ccnc4C3)cs2)c1 ZINC000494407081 503537336 /nfs/dbraw/zinc/53/73/36/503537336.db2.gz RZTBPBKBFYRMSU-CYBMUJFWSA-N 0 3 355.423 3.019 20 5 FGBDHN C[C@@H](NCCCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000509005638 503617329 /nfs/dbraw/zinc/61/73/29/503617329.db2.gz DTLDJXJLLVAWQA-GOSISDBHSA-N 0 3 368.481 3.458 20 5 FGBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H](c3ccco3)N3CCCCC3)c21 ZINC000509051602 503630171 /nfs/dbraw/zinc/63/01/71/503630171.db2.gz HIZVSPVLVVNIBP-INIZCTEOSA-N 0 3 367.409 3.192 20 5 FGBDHN CC(C)C1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543593468 503823808 /nfs/dbraw/zinc/82/38/08/503823808.db2.gz HLALITKVKIIPJB-UHFFFAOYSA-N 0 3 354.472 3.173 20 5 FGBDHN CC(C)CC(CC(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599342 503825063 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3.309 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000539807212 504695486 /nfs/dbraw/zinc/69/54/86/504695486.db2.gz FSSCTTXJIPAVLK-HXUWFJFHSA-N 0 3 369.421 3.383 20 5 FGBDHN CC(=O)N1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000539813741 504697736 /nfs/dbraw/zinc/69/77/36/504697736.db2.gz ATTZLBCKIHPMAX-HXUWFJFHSA-N 0 3 369.421 3.057 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)Cc2ccccc2)c1 ZINC000549212548 504725863 /nfs/dbraw/zinc/72/58/63/504725863.db2.gz AFYJWWBFVFEGNH-UHFFFAOYSA-N 0 3 371.437 3.245 20 5 FGBDHN COc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000536430489 504732026 /nfs/dbraw/zinc/73/20/26/504732026.db2.gz WKJYXINAKVIWJT-BETUJISGSA-N 0 3 355.410 3.044 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC000553001810 504802560 /nfs/dbraw/zinc/80/25/60/504802560.db2.gz SLCGLOPLEJSRJI-HIFRSBDPSA-N 0 3 370.409 3.024 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000553787093 505011658 /nfs/dbraw/zinc/01/16/58/505011658.db2.gz TUSWPBSHJZSKEY-GOSISDBHSA-N 0 3 363.483 3.263 20 5 FGBDHN CCO[C@@H]1C[C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000550327636 505022897 /nfs/dbraw/zinc/02/28/97/505022897.db2.gz ZKNLGNVNUCAPJZ-QXAKKESOSA-N 0 3 358.442 3.423 20 5 FGBDHN CCN(CCN1CCCCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000553921862 505043738 /nfs/dbraw/zinc/04/37/38/505043738.db2.gz ICGOAEKDELMLDU-UHFFFAOYSA-N 0 3 362.474 3.040 20 5 FGBDHN CC[C@H]1CCCCN1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524945 505114314 /nfs/dbraw/zinc/11/43/14/505114314.db2.gz RXOOLLQYPUBSRT-HKUYNNGSSA-N 0 3 371.485 3.272 20 5 FGBDHN Cc1ccc2oc(CNC[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000563432111 505140576 /nfs/dbraw/zinc/14/05/76/505140576.db2.gz KQJFGKRYVQYXQN-MRXNPFEDSA-N 0 3 356.378 3.179 20 5 FGBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000566589553 505214029 /nfs/dbraw/zinc/21/40/29/505214029.db2.gz CZTUAHNMZMELSY-MRXNPFEDSA-N 0 3 372.400 3.472 20 5 FGBDHN CN(C)C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1 ZINC000554640205 505229859 /nfs/dbraw/zinc/22/98/59/505229859.db2.gz WLRSFPPCHNPWGB-MRXNPFEDSA-N 0 3 370.384 3.248 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccco1 ZINC000557909810 505260245 /nfs/dbraw/zinc/26/02/45/505260245.db2.gz OJXXPMPXOFOSAC-OCCSQVGLSA-N 0 3 361.398 3.056 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000554881977 505288643 /nfs/dbraw/zinc/28/86/43/505288643.db2.gz OMUJOJTVVWVPJI-UHFFFAOYSA-N 0 3 371.437 3.198 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2c(F)cccc2Cl)cs1 ZINC000561525984 505368723 /nfs/dbraw/zinc/36/87/23/505368723.db2.gz KNTUXRHMRGEGLV-SNVBAGLBSA-N 0 3 358.822 3.390 20 5 FGBDHN CC(C)(CO)[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000564293686 505374911 /nfs/dbraw/zinc/37/49/11/505374911.db2.gz CUITVQBQBHOYRI-MRXNPFEDSA-N 0 3 350.440 3.385 20 5 FGBDHN CCCCN1CCCC[C@@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000564302160 505377636 /nfs/dbraw/zinc/37/76/36/505377636.db2.gz NSASGKKBFPWBER-CQSZACIVSA-N 0 3 364.446 3.233 20 5 FGBDHN Cc1c([C@H](C)NCCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000552096530 505398021 /nfs/dbraw/zinc/39/80/21/505398021.db2.gz DEDZHCVXOGJDKA-NSHDSACASA-N 0 3 353.220 3.213 20 5 FGBDHN CSc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561759939 505428816 /nfs/dbraw/zinc/42/88/16/505428816.db2.gz FKNMLMHIIKKCOU-VNHYZAJKSA-N 0 3 363.483 3.119 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000567327556 505430274 /nfs/dbraw/zinc/43/02/74/505430274.db2.gz IRTWIOQNUKYHKI-INIZCTEOSA-N 0 3 355.438 3.289 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000561918470 505467532 /nfs/dbraw/zinc/46/75/32/505467532.db2.gz LCBMTYHGGVRCOP-KRWDZBQOSA-N 0 3 350.802 3.340 20 5 FGBDHN Cc1ccc(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000561982368 505483914 /nfs/dbraw/zinc/48/39/14/505483914.db2.gz NIHIPBLJJFHKMW-UTKZUKDTSA-N 0 3 370.449 3.445 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000558802274 505497065 /nfs/dbraw/zinc/49/70/65/505497065.db2.gz FWYRANUTSZMJIF-LIRRHRJNSA-N 0 3 371.437 3.415 20 5 FGBDHN COc1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986266 505565470 /nfs/dbraw/zinc/56/54/70/505565470.db2.gz PPTCLGJXWUYPJB-HIFRSBDPSA-N 0 3 350.415 3.003 20 5 FGBDHN CCOc1cccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596424597 506398019 /nfs/dbraw/zinc/39/80/19/506398019.db2.gz TVWGQBLPTRPNJO-KRWDZBQOSA-N 0 3 371.437 3.172 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000593136154 506416459 /nfs/dbraw/zinc/41/64/59/506416459.db2.gz LQCGITFVTUODNJ-VLIAUNLRSA-N 0 3 373.428 3.392 20 5 FGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000589178182 506471093 /nfs/dbraw/zinc/47/10/93/506471093.db2.gz DLEXPPRBDZIWHB-DNXIFWLFSA-N 0 3 353.426 3.080 20 5 FGBDHN COc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000599626551 506536765 /nfs/dbraw/zinc/53/67/65/506536765.db2.gz RJWCWQJDHFFKME-HTQGBYLWSA-N 0 3 360.357 3.106 20 5 FGBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(CC)C1 ZINC000596696239 506543333 /nfs/dbraw/zinc/54/33/33/506543333.db2.gz ZDGIRCLSYRRWLW-GFCCVEGCSA-N 0 3 372.372 3.144 20 5 FGBDHN O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2nnc[n-]2)c2ccccc2)cc1 ZINC000583149763 506617033 /nfs/dbraw/zinc/61/70/33/506617033.db2.gz DTYSRUQTYBXWDO-GOSISDBHSA-N 0 3 351.410 3.415 20 5 FGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H](C)C1 ZINC000599830482 506664183 /nfs/dbraw/zinc/66/41/83/506664183.db2.gz JENACXIVRIUSLI-ZIAGYGMSSA-N 0 3 371.441 3.385 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950163 506685391 /nfs/dbraw/zinc/68/53/91/506685391.db2.gz WBQDECYNRSWHMY-JVLSTEMRSA-N 0 3 362.348 3.490 20 5 FGBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000604403222 506820692 /nfs/dbraw/zinc/82/06/92/506820692.db2.gz WMEQFPRPNSFIRJ-HUUCEWRRSA-N 0 3 353.422 3.093 20 5 FGBDHN COc1cc(CNC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000597207095 506836395 /nfs/dbraw/zinc/83/63/95/506836395.db2.gz BLRYMGQQBLCGTJ-CQSZACIVSA-N 0 3 366.311 3.382 20 5 FGBDHN COc1cc(CNCCc2ccoc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597208734 506837804 /nfs/dbraw/zinc/83/78/04/506837804.db2.gz GRIFDBXUEFMIII-UHFFFAOYSA-N 0 3 356.325 3.173 20 5 FGBDHN CCC1(N2CCOCC2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000600209652 506847634 /nfs/dbraw/zinc/84/76/34/506847634.db2.gz XVTJIHBCJHCYFZ-FNORWQNLSA-N 0 3 359.470 3.185 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000597227280 506847922 /nfs/dbraw/zinc/84/79/22/506847922.db2.gz CGZMYDCOUZFJJL-INIZCTEOSA-N 0 3 362.426 3.159 20 5 FGBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCC1 ZINC000600228506 506860302 /nfs/dbraw/zinc/86/03/02/506860302.db2.gz CIJSWZCUGVEFAJ-GOSISDBHSA-N 0 3 373.453 3.081 20 5 FGBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCN(CC2CCCCC2)CC1 ZINC000609442453 506881796 /nfs/dbraw/zinc/88/17/96/506881796.db2.gz UPGOCIYSPYYCNL-UHFFFAOYSA-N 0 3 363.433 3.462 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045743 506903790 /nfs/dbraw/zinc/90/37/90/506903790.db2.gz ZKOWCHUSJONYIC-IUODEOHRSA-N 0 3 355.822 3.124 20 5 FGBDHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600469830 506962107 /nfs/dbraw/zinc/96/21/07/506962107.db2.gz LBHAACQJOUDHIY-INIZCTEOSA-N 0 3 361.442 3.129 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195711 507000245 /nfs/dbraw/zinc/00/02/45/507000245.db2.gz HQUFSSOVHRMTRI-CABCVRRESA-N 0 3 371.359 3.360 20 5 FGBDHN COC[C@@H](CCO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000610090245 507095027 /nfs/dbraw/zinc/09/50/27/507095027.db2.gz YSCLQYCSLNZTIB-OAHLLOKOSA-N 0 3 364.373 3.013 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597858147 507136590 /nfs/dbraw/zinc/13/65/90/507136590.db2.gz KKBQOKVMFYQTNC-NSHDSACASA-N 0 3 359.348 3.216 20 5 FGBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCNC2(CCCCC2)C1 ZINC000594629053 507216966 /nfs/dbraw/zinc/21/69/66/507216966.db2.gz ZOGKJKCETUIFOU-UHFFFAOYSA-N 0 3 371.359 3.362 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(CC)C1 ZINC000598042256 507230716 /nfs/dbraw/zinc/23/07/16/507230716.db2.gz WQIBWBPCVGBWRH-CYBMUJFWSA-N 0 3 359.348 3.170 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598195898 507308119 /nfs/dbraw/zinc/30/81/19/507308119.db2.gz WAKPXUVHJIIQKI-LJQANCHMSA-N 0 3 367.449 3.292 20 5 FGBDHN Cn1nc(C(F)(F)F)cc1CNCCCCc1ccc([N+](=O)[O-])cc1 ZINC000594930618 507319278 /nfs/dbraw/zinc/31/92/78/507319278.db2.gz XRWQWLPITPDCKD-UHFFFAOYSA-N 0 3 356.348 3.460 20 5 FGBDHN CCC(O)(CC)C(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594963237 507333233 /nfs/dbraw/zinc/33/32/33/507333233.db2.gz HYLCPYLLZQYVQO-UHFFFAOYSA-N 0 3 352.431 3.033 20 5 FGBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000594968950 507337002 /nfs/dbraw/zinc/33/70/02/507337002.db2.gz XXGUHJFBCAPKGN-NUJGCVRESA-N 0 3 350.459 3.374 20 5 FGBDHN NC(=O)CC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000595001438 507348244 /nfs/dbraw/zinc/34/82/44/507348244.db2.gz UKRBBVWFDYHRSF-UHFFFAOYSA-N 0 3 371.384 3.112 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000610712173 507359467 /nfs/dbraw/zinc/35/94/67/507359467.db2.gz QRQVVEOHDVFMHH-MRXNPFEDSA-N 0 3 357.385 3.080 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H](COC)C2CCOCC2)cc1[N+](=O)[O-] ZINC000595067309 507375999 /nfs/dbraw/zinc/37/59/99/507375999.db2.gz LPTRDHZQRVKNBX-CJNGLKHVSA-N 0 3 352.431 3.086 20 5 FGBDHN COc1cccc(OC)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595074402 507379720 /nfs/dbraw/zinc/37/97/20/507379720.db2.gz RJFZIZMZWFCDGX-HUUCEWRRSA-N 0 3 360.414 3.082 20 5 FGBDHN Cc1nc(NC(=O)C2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000610774698 507385515 /nfs/dbraw/zinc/38/55/15/507385515.db2.gz CTELUHIZCQDAPU-UHFFFAOYSA-N 0 3 354.410 3.149 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610964442 507458027 /nfs/dbraw/zinc/45/80/27/507458027.db2.gz ZLZLKUMSWLMHDN-CYBMUJFWSA-N 0 3 359.348 3.218 20 5 FGBDHN Cc1ccc(CN2CC[C@H](CN(C)Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595478826 507521172 /nfs/dbraw/zinc/52/11/72/507521172.db2.gz XAYSNUSBZURLIX-CQSZACIVSA-N 0 3 364.471 3.215 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592193291 507534150 /nfs/dbraw/zinc/53/41/50/507534150.db2.gz LRWMRFGQWHIRTJ-CQSZACIVSA-N 0 3 361.442 3.265 20 5 FGBDHN CSC1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN(C)CC1 ZINC000584872880 507551564 /nfs/dbraw/zinc/55/15/64/507551564.db2.gz ZQDXAAFVJDDCAZ-UHFFFAOYSA-N 0 3 364.393 3.248 20 5 FGBDHN CC(C)(C)[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611199008 507558374 /nfs/dbraw/zinc/55/83/74/507558374.db2.gz ILBVAQWCKFYWQK-CXAGYDPISA-N 0 3 350.415 3.049 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702383 507637204 /nfs/dbraw/zinc/63/72/04/507637204.db2.gz JAUHJQKNHOAPSR-IAGOWNOFSA-N 0 3 374.485 3.357 20 5 FGBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000595774463 507679545 /nfs/dbraw/zinc/67/95/45/507679545.db2.gz ZSWRPQWQGZVUOP-PXAZEXFGSA-N 0 3 350.369 3.108 20 5 FGBDHN CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611518079 507717276 /nfs/dbraw/zinc/71/72/76/507717276.db2.gz NLPFZWFEBSQTNH-LBPRGKRZSA-N 0 3 374.384 3.106 20 5 FGBDHN Cc1nccn1C[C@H](C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512292 507733700 /nfs/dbraw/zinc/73/37/00/507733700.db2.gz XJQMWWPMBULERO-SECBINFHSA-N 0 3 373.276 3.350 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCOC[C@@H]1CCOC1 ZINC000602560796 507749217 /nfs/dbraw/zinc/74/92/17/507749217.db2.gz UMHSUQKHOZESJF-LBPRGKRZSA-N 0 3 362.348 3.146 20 5 FGBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592693964 507766725 /nfs/dbraw/zinc/76/67/25/507766725.db2.gz FORGTHAZQCSALF-KRWDZBQOSA-N 0 3 370.453 3.058 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000619785237 714870607 /nfs/dbraw/zinc/87/06/07/714870607.db2.gz PKBCCNCRRCZVKA-KRWDZBQOSA-N 0 3 364.829 3.162 20 5 FGBDHN COCCN1CCC[C@@H]1CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804426497 724516186 /nfs/dbraw/zinc/51/61/86/724516186.db2.gz ARTARUJIDJOHJL-GFCCVEGCSA-N 0 3 372.263 3.188 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000783918293 724803361 /nfs/dbraw/zinc/80/33/61/724803361.db2.gz IEBIOVAODFPZFN-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000731490038 722475887 /nfs/dbraw/zinc/47/58/87/722475887.db2.gz JBNFMZZIKOOPME-INIZCTEOSA-N 0 3 356.451 3.285 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](N2CCCC2)C1 ZINC000757700822 722978575 /nfs/dbraw/zinc/97/85/75/722978575.db2.gz DFKSJPDPRCMPFX-LBPRGKRZSA-N 0 3 367.833 3.099 20 5 FGBDHN O=C(C1CC1)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811453612 725366072 /nfs/dbraw/zinc/36/60/72/725366072.db2.gz ZVTRMPDWKCVUJM-UHFFFAOYSA-N 0 3 372.252 3.392 20 5 FGBDHN CC(COC(=O)c1cc(Br)sc1Br)[N+](=O)[O-] ZINC000813103860 726839380 /nfs/dbraw/zinc/83/93/80/726839380.db2.gz HHIVPGVXSLMESZ-SCSAIBSYSA-N 0 3 373.022 3.095 20 5 FGBDHN CC(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)[N+](=O)[O-] ZINC000813104912 726839439 /nfs/dbraw/zinc/83/94/39/726839439.db2.gz SUXUWVSUTQCUPM-GFCCVEGCSA-N 0 3 357.391 3.423 20 5 FGBDHN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110091 726840016 /nfs/dbraw/zinc/84/00/16/726840016.db2.gz SBUOCAPZTCALOX-SNVBAGLBSA-N 0 3 350.396 3.406 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813411021 726871929 /nfs/dbraw/zinc/87/19/29/726871929.db2.gz WOYRJEYBPSEORH-SNVBAGLBSA-N 0 3 360.241 3.363 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1F ZINC000822059966 729143580 /nfs/dbraw/zinc/14/35/80/729143580.db2.gz XQHBJICCIPZDND-JQWIXIFHSA-N 0 3 355.385 3.032 20 5 FGBDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000824489752 729342775 /nfs/dbraw/zinc/34/27/75/729342775.db2.gz RTHLMHGMFAHHFX-NHAGDIPZSA-N 0 3 367.833 3.203 20 5 FGBDHN Cc1ccc(CNC[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000825339053 729379414 /nfs/dbraw/zinc/37/94/14/729379414.db2.gz ZHBFANCTTNONCS-MRXNPFEDSA-N 0 3 365.227 3.489 20 5 FGBDHN CC([C@H](OC(=O)CSCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845873978 730904991 /nfs/dbraw/zinc/90/49/91/730904991.db2.gz FSFJMMULRIOPRQ-PELKAZGASA-N 0 3 355.309 3.371 20 5 FGBDHN CC(=O)[C@@H]1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1(C)C ZINC000845877490 730905481 /nfs/dbraw/zinc/90/54/81/730905481.db2.gz PXSRNNGVBNWGBI-FDKDBAQKSA-N 0 3 351.374 3.327 20 5 FGBDHN Cc1noc(C)c1[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879410 730905761 /nfs/dbraw/zinc/90/57/61/730905761.db2.gz XDQISCGYVJCUQQ-ZXLZKYRFSA-N 0 3 350.346 3.484 20 5 FGBDHN CO[C@H](CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])C(F)(F)F ZINC000845882580 730906069 /nfs/dbraw/zinc/90/60/69/730906069.db2.gz WETNWYUPMBLUQZ-KDDOJWQBSA-N 0 3 353.268 3.043 20 5 FGBDHN CC([C@@H](OC(=O)c1scc2c1OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737674 731085997 /nfs/dbraw/zinc/08/59/97/731085997.db2.gz VZPVLFPKJXEICB-NOZJJQNGSA-N 0 3 367.354 3.222 20 5 FGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000888286977 739496757 /nfs/dbraw/zinc/49/67/57/739496757.db2.gz RRRKKBLZCLHABB-GFCCVEGCSA-N 0 3 350.806 3.035 20 5 FGBDHN COc1c(O)ccc(CNCCc2csc(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000893256114 742130723 /nfs/dbraw/zinc/13/07/23/742130723.db2.gz QOGADNUMKANMSY-UHFFFAOYSA-N 0 3 365.455 3.395 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896519671 742561608 /nfs/dbraw/zinc/56/16/08/742561608.db2.gz XBPXIIGAXDVLGL-ZDUSSCGKSA-N 0 3 370.247 3.023 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000932181437 761073664 /nfs/dbraw/zinc/07/36/64/761073664.db2.gz SHXBZTZESXWIIY-CYBMUJFWSA-N 0 3 359.451 3.282 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000060500209 212021382 /nfs/dbraw/zinc/02/13/82/212021382.db2.gz DFCYFSJDPQEQDW-QGZVFWFLSA-N 0 3 357.410 3.026 20 5 FGBDHN CC(C)N(C)C[C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000573737930 505608275 /nfs/dbraw/zinc/60/82/75/505608275.db2.gz VBOWJWKCFWCEHF-AWEZNQCLSA-N 0 3 351.450 3.140 20 5 FGBDHN CCN(C[C@H]1CCCN1CC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000576971220 505636393 /nfs/dbraw/zinc/63/63/93/505636393.db2.gz GQLVSCCKHIYRBV-OAHLLOKOSA-N 0 3 365.449 3.344 20 5 FGBDHN CCOc1cc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000579969602 505654453 /nfs/dbraw/zinc/65/44/53/505654453.db2.gz JYSPIRRSBBFNGH-MRXNPFEDSA-N 0 3 358.442 3.353 20 5 FGBDHN CC(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000029174215 493823409 /nfs/dbraw/zinc/82/34/09/493823409.db2.gz QRMDUPUBEMPIJX-FQEVSTJZSA-N 0 3 367.449 3.408 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000058491730 493858923 /nfs/dbraw/zinc/85/89/23/493858923.db2.gz HJUGJBYULOZJKI-UHFFFAOYSA-N 0 3 368.393 3.269 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000032734227 494010355 /nfs/dbraw/zinc/01/03/55/494010355.db2.gz GAWHPNTUDHFRPU-STQMWFEESA-N 0 3 351.472 3.309 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042127169 494203980 /nfs/dbraw/zinc/20/39/80/494203980.db2.gz PKSSWXUVIFYZOC-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000054226021 494208618 /nfs/dbraw/zinc/20/86/18/494208618.db2.gz LRKWHLLQZDSVGQ-DOTOQJQBSA-N 0 3 353.422 3.469 20 5 FGBDHN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072761180 494245307 /nfs/dbraw/zinc/24/53/07/494245307.db2.gz OFABTKKVCPOWDS-SFHVURJKSA-N 0 3 355.438 3.455 20 5 FGBDHN CN(CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000089619816 494332311 /nfs/dbraw/zinc/33/23/11/494332311.db2.gz DHEHLNJDCWDEFZ-UHFFFAOYSA-N 0 3 369.487 3.065 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000066662930 494377722 /nfs/dbraw/zinc/37/77/22/494377722.db2.gz YIWWINMWTCYCIT-UHFFFAOYSA-N 0 3 357.414 3.009 20 5 FGBDHN CCOc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000045861889 494470213 /nfs/dbraw/zinc/47/02/13/494470213.db2.gz NZQOCVOYCICACR-UHFFFAOYSA-N 0 3 371.437 3.245 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801762 494497810 /nfs/dbraw/zinc/49/78/10/494497810.db2.gz KMCAOBQYBSQYID-HOCLYGCPSA-N 0 3 356.426 3.318 20 5 FGBDHN CC(C)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000023678102 494574956 /nfs/dbraw/zinc/57/49/56/494574956.db2.gz KVWRABSEDGZOBL-MJGOQNOKSA-N 0 3 362.401 3.461 20 5 FGBDHN CCN1CCC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000024030434 494597353 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371.437 3.437 20 5 FGBDHN COc1ccc(-c2ccc(CN(C)C[C@@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000091899410 494719344 /nfs/dbraw/zinc/71/93/44/494719344.db2.gz AWBXXASLYFUDBF-UGSOOPFHSA-N 0 3 360.410 3.456 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000126387237 494733128 /nfs/dbraw/zinc/73/31/28/494733128.db2.gz AGZCUNHLQWRXGX-RHSMWYFYSA-N 0 3 360.410 3.084 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000580366718 505741634 /nfs/dbraw/zinc/74/16/34/505741634.db2.gz LZRSWAPYRBLXMV-PWSUYJOCSA-N 0 3 351.428 3.417 20 5 FGBDHN COc1cccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000026221992 494811515 /nfs/dbraw/zinc/81/15/15/494811515.db2.gz VAAXNEMRWWJSIV-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN Cc1ccc(OCCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026336943 494819404 /nfs/dbraw/zinc/81/94/04/494819404.db2.gz HWXGGBRVLOBTAN-UHFFFAOYSA-N 0 3 357.410 3.243 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CCO)C3)o2)c([N+](=O)[O-])c1 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O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COCC3CC3)s2)cc1 ZINC000102425891 495136359 /nfs/dbraw/zinc/13/63/59/495136359.db2.gz GEQZXMMBRPTAMJ-MRXNPFEDSA-N 0 3 362.451 3.200 20 5 FGBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000103113564 495194352 /nfs/dbraw/zinc/19/43/52/495194352.db2.gz SAJBBZKCWKZOLS-UHFFFAOYSA-N 0 3 361.467 3.477 20 5 FGBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571586595 505766968 /nfs/dbraw/zinc/76/69/68/505766968.db2.gz RKMOYYCATUSQOI-KBXCAEBGSA-N 0 3 362.426 3.102 20 5 FGBDHN Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119620346 495203037 /nfs/dbraw/zinc/20/30/37/495203037.db2.gz FPZXNTKMMGBOAL-KSSFIOAISA-N 0 3 353.422 3.154 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000103252125 495210093 /nfs/dbraw/zinc/21/00/93/495210093.db2.gz PIBVITBFJXZJKH-UHFFFAOYSA-N 0 3 372.400 3.492 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000124600980 495314568 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3.111 20 5 FGBDHN O=C1CCCN1C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179562792 495641206 /nfs/dbraw/zinc/64/12/06/495641206.db2.gz NHZZMTIQIHZIQH-LJQANCHMSA-N 0 3 353.422 3.091 20 5 FGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(OCc2ccccn2)c1 ZINC000179685737 495690979 /nfs/dbraw/zinc/69/09/79/495690979.db2.gz FBJMEKBVCPNICV-OAHLLOKOSA-N 0 3 367.409 3.116 20 5 FGBDHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000159237699 495691119 /nfs/dbraw/zinc/69/11/19/495691119.db2.gz HNQAPEVEZHWKTL-SFHVURJKSA-N 0 3 369.421 3.170 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000154827550 495740001 /nfs/dbraw/zinc/74/00/01/495740001.db2.gz LGEUUTWGTCPARM-QGZVFWFLSA-N 0 3 359.470 3.456 20 5 FGBDHN C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154963350 495786612 /nfs/dbraw/zinc/78/66/12/495786612.db2.gz YVBHEXRWDLPDSI-MGPUTAFESA-N 0 3 373.428 3.458 20 5 FGBDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179932140 495788916 /nfs/dbraw/zinc/78/89/16/495788916.db2.gz KCRFYPDSRVPXAF-GFCCVEGCSA-N 0 3 361.373 3.422 20 5 FGBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCC(C)C ZINC000180086290 495851636 /nfs/dbraw/zinc/85/16/36/495851636.db2.gz ZRDVYJDBWDKCNJ-CQSZACIVSA-N 0 3 362.430 3.186 20 5 FGBDHN O=C1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1c1c(F)cccc1F ZINC000180217654 495911649 /nfs/dbraw/zinc/91/16/49/495911649.db2.gz GPCKIDHJCSDOSR-YVARQFDVSA-N 0 3 373.359 3.281 20 5 FGBDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000151693877 495921586 /nfs/dbraw/zinc/92/15/86/495921586.db2.gz YGKPFSNCUBNZES-UONOGXRCSA-N 0 3 360.410 3.386 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN[C@H](COc2ccccc2F)c2ccccc2)n1 ZINC000180306180 495943971 /nfs/dbraw/zinc/94/39/71/495943971.db2.gz WIVHFSNYUAIWME-QGZVFWFLSA-N 0 3 370.384 3.340 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186386365 495977809 /nfs/dbraw/zinc/97/78/09/495977809.db2.gz FKBWARLOMWELMW-HOCLYGCPSA-N 0 3 369.849 3.370 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000180455949 496003955 /nfs/dbraw/zinc/00/39/55/496003955.db2.gz KMMWZOGRLKYYMQ-CJNGLKHVSA-N 0 3 355.394 3.167 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000183499074 496010473 /nfs/dbraw/zinc/01/04/73/496010473.db2.gz VOPLGXGOHSATHI-ZYHUDNBSSA-N 0 3 369.874 3.082 20 5 FGBDHN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1ccccc1)N(C)C ZINC000186482548 496014530 /nfs/dbraw/zinc/01/45/30/496014530.db2.gz REOBUUYCMJGUKA-YJYMSZOUSA-N 0 3 366.421 3.497 20 5 FGBDHN C[C@@](CO)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000174793087 496109735 /nfs/dbraw/zinc/10/97/35/496109735.db2.gz RXZUDUBAOLVSDH-KRWDZBQOSA-N 0 3 369.849 3.108 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2cc(F)ccc2C1 ZINC000580726045 505823878 /nfs/dbraw/zinc/82/38/78/505823878.db2.gz IJPBEORGMVQLGX-MLGOLLRUSA-N 0 3 373.384 3.044 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC[C@@H](F)C2)c1 ZINC000574680062 505829804 /nfs/dbraw/zinc/82/98/04/505829804.db2.gz PQOKTIFSKPMRQR-MWLCHTKSSA-N 0 3 364.158 3.180 20 5 FGBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181421411 496388315 /nfs/dbraw/zinc/38/83/15/496388315.db2.gz UWTCHQAXRPHZBC-AUUYWEPGSA-N 0 3 369.421 3.106 20 5 FGBDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000163012001 496449275 /nfs/dbraw/zinc/44/92/75/496449275.db2.gz YXOACBPADXULRN-DCGLDWPTSA-N 0 3 355.394 3.076 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000153418113 496449390 /nfs/dbraw/zinc/44/93/90/496449390.db2.gz NWTUGYGGVXEDDZ-OAHLLOKOSA-N 0 3 363.458 3.437 20 5 FGBDHN COCCC1(CN[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000184732956 496511089 /nfs/dbraw/zinc/51/10/89/496511089.db2.gz DTLSTCJXSOQEQA-OAHLLOKOSA-N 0 3 363.458 3.498 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000181789883 496545140 /nfs/dbraw/zinc/54/51/40/496545140.db2.gz ABWDZAIAXRQAHQ-GFCCVEGCSA-N 0 3 372.347 3.316 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178728171 496551978 /nfs/dbraw/zinc/55/19/78/496551978.db2.gz HNYNJQKKJCBSJM-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000181980896 496623627 /nfs/dbraw/zinc/62/36/27/496623627.db2.gz SMGKUOKDHRHBFS-UHFFFAOYSA-N 0 3 369.874 3.083 20 5 FGBDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268874202 496811304 /nfs/dbraw/zinc/81/13/04/496811304.db2.gz IIFVVVNRQSLUOJ-WBMJQRKESA-N 0 3 372.450 3.441 20 5 FGBDHN CC(C)C[C@]1(CO)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191656118 496847931 /nfs/dbraw/zinc/84/79/31/496847931.db2.gz XGBQGACJXJPQPL-SFHVURJKSA-N 0 3 360.414 3.018 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247517352 496879043 /nfs/dbraw/zinc/87/90/43/496879043.db2.gz WEIWKOAFSASIJE-DYVFJYSZSA-N 0 3 359.451 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CC(C)(CN1CCCC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411085301 499696822 /nfs/dbraw/zinc/69/68/22/499696822.db2.gz LCHKSUADEVBMQS-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccnc1)C(C)C ZINC000411410175 499736341 /nfs/dbraw/zinc/73/63/41/499736341.db2.gz RPBSONZYZGYGTO-UHFFFAOYSA-N 0 3 372.425 3.238 20 5 FGBDHN O=C(CCN[C@H](CCCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411469992 499744576 /nfs/dbraw/zinc/74/45/76/499744576.db2.gz HUTXKZHYHAEYDZ-GOSISDBHSA-N 0 3 357.410 3.027 20 5 FGBDHN COc1cccc(NC(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000411761017 499787451 /nfs/dbraw/zinc/78/74/51/499787451.db2.gz UKILKOHLXOMDNC-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN COc1cc(CNc2ccc(CN(C)C)cc2F)c([N+](=O)[O-])cc1OC ZINC000414484406 499797974 /nfs/dbraw/zinc/79/79/74/499797974.db2.gz HBTMSJDTNNKSOL-UHFFFAOYSA-N 0 3 363.389 3.425 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412339519 499846250 /nfs/dbraw/zinc/84/62/50/499846250.db2.gz PRROQUHULFXRSW-UHFFFAOYSA-N 0 3 363.458 3.330 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415487662 499896136 /nfs/dbraw/zinc/89/61/36/499896136.db2.gz UFEJBCAIOGBTEJ-QGZVFWFLSA-N 0 3 354.410 3.220 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425014642 499993631 /nfs/dbraw/zinc/99/36/31/499993631.db2.gz UCPRTUXUVVPIRT-PKOBYXMFSA-N 0 3 365.433 3.250 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425271306 500061907 /nfs/dbraw/zinc/06/19/07/500061907.db2.gz CGNMJTKXKYSCON-WMLDXEAASA-N 0 3 358.829 3.354 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413898455 500089509 /nfs/dbraw/zinc/08/95/09/500089509.db2.gz GQWYOADWTIKNBC-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@@H](CO)N(Cc1ccc(Br)cc1[N+](=O)[O-])CC1CCC1 ZINC000425484605 500119837 /nfs/dbraw/zinc/11/98/37/500119837.db2.gz SMMNSGRIFPENGX-NSHDSACASA-N 0 3 357.248 3.340 20 5 FGBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000425622784 500162376 /nfs/dbraw/zinc/16/23/76/500162376.db2.gz KHGZYOHLTDCLFH-SFHVURJKSA-N 0 3 353.422 3.047 20 5 FGBDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430236470 500213282 /nfs/dbraw/zinc/21/32/82/500213282.db2.gz BBSKLNSQFLLRKZ-SFHVURJKSA-N 0 3 350.415 3.015 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c2ccccc21 ZINC000579486569 506186807 /nfs/dbraw/zinc/18/68/07/506186807.db2.gz JUUUUMUBZNAGSC-ZDUSSCGKSA-N 0 3 355.369 3.400 20 5 FGBDHN CC(C)(NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000418643383 500299669 /nfs/dbraw/zinc/29/96/69/500299669.db2.gz UJYZPNRUQWJFFQ-QGZVFWFLSA-N 0 3 368.437 3.016 20 5 FGBDHN COC(=O)c1cccc(OCCN(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000419108452 500340434 /nfs/dbraw/zinc/34/04/34/500340434.db2.gz GIXCUKABMPIAQY-UHFFFAOYSA-N 0 3 362.357 3.031 20 5 FGBDHN CCc1ccc([C@H](N[C@@H]2CNCCC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423469057 500376634 /nfs/dbraw/zinc/37/66/34/500376634.db2.gz CELIEEXRKJLZFJ-IAGOWNOFSA-N 0 3 365.380 3.426 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431686713 500408759 /nfs/dbraw/zinc/40/87/59/500408759.db2.gz SHHVMRUCNPSUNO-LDHYMBSASA-N 0 3 370.409 3.378 20 5 FGBDHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424343623 500489441 /nfs/dbraw/zinc/48/94/41/500489441.db2.gz GZYQIJCIKACXAT-WCQYABFASA-N 0 3 373.434 3.121 20 5 FGBDHN CCC[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CCN1CCOC ZINC000432326145 500499504 /nfs/dbraw/zinc/49/95/04/500499504.db2.gz ACBXZZIWTYIOHL-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN C[C@]1(Cc2ccc(F)cc2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420921329 500530854 /nfs/dbraw/zinc/53/08/54/500530854.db2.gz CRXDAJVNKAGSDU-HXUWFJFHSA-N 0 3 371.412 3.430 20 5 FGBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447514892 500615238 /nfs/dbraw/zinc/61/52/38/500615238.db2.gz AAQJSIOKXFSEIS-GJZGRUSLSA-N 0 3 360.414 3.082 20 5 FGBDHN COCCOc1ccccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540633 500620580 /nfs/dbraw/zinc/62/05/80/500620580.db2.gz DIMAMSJQEIYMOS-DLBZAZTESA-N 0 3 374.441 3.090 20 5 FGBDHN COc1ccc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781206 /nfs/dbraw/zinc/78/12/06/500781206.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 0 3 370.453 3.123 20 5 FGBDHN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)(C)CN(C)C ZINC000444084347 500800832 /nfs/dbraw/zinc/80/08/32/500800832.db2.gz FKAKPODBKWKEJY-AWEZNQCLSA-N 0 3 365.477 3.387 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3COc4c3cccc4Cl)CC2)cn1 ZINC000602569797 506220327 /nfs/dbraw/zinc/22/03/27/506220327.db2.gz SKDAEOWIHYSIQW-MRXNPFEDSA-N 0 3 374.828 3.335 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000444781664 500899549 /nfs/dbraw/zinc/89/95/49/500899549.db2.gz HRDRKRFLPFOBHA-UHFFFAOYSA-N 0 3 370.449 3.291 20 5 FGBDHN C[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093033 500923445 /nfs/dbraw/zinc/92/34/45/500923445.db2.gz UVVYKNNQDVXBTD-UONOGXRCSA-N 0 3 362.451 3.453 20 5 FGBDHN C[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449210132 500948597 /nfs/dbraw/zinc/94/85/97/500948597.db2.gz VWZHRAFOJPMEAR-UONOGXRCSA-N 0 3 362.451 3.453 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000449239781 500955169 /nfs/dbraw/zinc/95/51/69/500955169.db2.gz WRQBJXXAEYQQJN-JKIFEVAISA-N 0 3 354.472 3.173 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(COc2ccccc2)n[nH]1 ZINC000449250208 500957189 /nfs/dbraw/zinc/95/71/89/500957189.db2.gz OKCADLUDFXDHKT-CQSZACIVSA-N 0 3 367.409 3.013 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000449336504 500981608 /nfs/dbraw/zinc/98/16/08/500981608.db2.gz NSULHOARQYMLEP-BEFAXECRSA-N 0 3 355.438 3.205 20 5 FGBDHN Cc1cc(C)c(C(=O)NC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000598927435 506230560 /nfs/dbraw/zinc/23/05/60/506230560.db2.gz JFTYYYYCDVAERV-UHFFFAOYSA-N 0 3 371.437 3.242 20 5 FGBDHN O=C(NCCCN1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435831921 501034983 /nfs/dbraw/zinc/03/49/83/501034983.db2.gz WTLGZKVIEOAPBR-UHFFFAOYSA-N 0 3 367.424 3.036 20 5 FGBDHN CC(C)[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441396824 501133547 /nfs/dbraw/zinc/13/35/47/501133547.db2.gz DIKVAYHIEHFEHE-PBHICJAKSA-N 0 3 366.849 3.135 20 5 FGBDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000441438258 501139277 /nfs/dbraw/zinc/13/92/77/501139277.db2.gz JAFIMRCUWCGBFL-DLBZAZTESA-N 0 3 352.431 3.118 20 5 FGBDHN COC(=O)c1c(Cl)c(NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596065354 506238675 /nfs/dbraw/zinc/23/86/75/506238675.db2.gz FKNMKTFZMXRJGM-UHFFFAOYSA-N 0 3 353.806 3.074 20 5 FGBDHN Cc1cccc2c1CCC[C@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067809 506238810 /nfs/dbraw/zinc/23/88/10/506238810.db2.gz BBUROJCNVGCFDA-MAUKXSAKSA-N 0 3 356.422 3.310 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(n1)CCCC2 ZINC000446903372 501179919 /nfs/dbraw/zinc/17/99/19/501179919.db2.gz YOBBQGHVTGQJEM-AWEZNQCLSA-N 0 3 368.437 3.376 20 5 FGBDHN Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000436726358 501197937 /nfs/dbraw/zinc/19/79/37/501197937.db2.gz VQKNMHXLNABMMI-QGZVFWFLSA-N 0 3 353.422 3.426 20 5 FGBDHN CC(C)c1ccc(CN[C@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000447083626 501203079 /nfs/dbraw/zinc/20/30/79/501203079.db2.gz CCQGSCNZMMPHIK-INIZCTEOSA-N 0 3 357.458 3.210 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)cc1 ZINC000451335323 501268526 /nfs/dbraw/zinc/26/85/26/501268526.db2.gz CYYRNOALZVXKJF-ZACQAIPSSA-N 0 3 372.425 3.160 20 5 FGBDHN Cc1c([C@@H](C)NC[C@H]2CS(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000453229134 501294859 /nfs/dbraw/zinc/29/48/59/501294859.db2.gz GEAZTILAHFGLMA-KGLIPLIRSA-N 0 3 360.435 3.125 20 5 FGBDHN CC(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451508354 501309255 /nfs/dbraw/zinc/30/92/55/501309255.db2.gz WJBUFXVZQAYNEI-LSDHHAIUSA-N 0 3 369.849 3.368 20 5 FGBDHN O=C(CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1cccnc1 ZINC000451547697 501320033 /nfs/dbraw/zinc/32/00/33/501320033.db2.gz LTECPLCJUDRPLS-INIZCTEOSA-N 0 3 354.410 3.198 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1cccnc1 ZINC000451547698 501320184 /nfs/dbraw/zinc/32/01/84/501320184.db2.gz LTECPLCJUDRPLS-MRXNPFEDSA-N 0 3 354.410 3.198 20 5 FGBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458203778 501392387 /nfs/dbraw/zinc/39/23/87/501392387.db2.gz PLIKZTPJKLSFBN-UHFFFAOYSA-N 0 3 353.469 3.230 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000452055481 501425884 /nfs/dbraw/zinc/42/58/84/501425884.db2.gz CCRHXPJDJIVLEK-QLFBSQMISA-N 0 3 354.472 3.173 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458408173 501438424 /nfs/dbraw/zinc/43/84/24/501438424.db2.gz BADOTSDTDIIMOZ-SFHVURJKSA-N 0 3 362.474 3.042 20 5 FGBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N2CCCC2)cc1 ZINC000596096137 506255709 /nfs/dbraw/zinc/25/57/09/506255709.db2.gz BXUJOPWYVHATMI-LJQANCHMSA-N 0 3 368.437 3.251 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(N3CCCN(Cc4ccccc4)CC3)c2c1 ZINC000611700936 506262137 /nfs/dbraw/zinc/26/21/37/506262137.db2.gz ZDTGEZIQSDXXEN-UHFFFAOYSA-N 0 3 363.421 3.250 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000598990239 506265216 /nfs/dbraw/zinc/26/52/16/506265216.db2.gz AJTLUQMQWXIPBM-GOSISDBHSA-N 0 3 361.829 3.243 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457056396 501642196 /nfs/dbraw/zinc/64/21/96/501642196.db2.gz NTMMXYYICJFRDQ-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000481385130 501758190 /nfs/dbraw/zinc/75/81/90/501758190.db2.gz WGGYWKGEZGZZTP-UGSOOPFHSA-N 0 3 372.425 3.416 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000474352906 501802970 /nfs/dbraw/zinc/80/29/70/501802970.db2.gz JCELTAGHISPTAJ-CQSZACIVSA-N 0 3 358.394 3.306 20 5 FGBDHN CCO[C@@H]1C[C@@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843362 501805434 /nfs/dbraw/zinc/80/54/34/501805434.db2.gz CATXSTAHEPTOMR-QZTJIDSGSA-N 0 3 364.442 3.262 20 5 FGBDHN COc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000474440034 501837440 /nfs/dbraw/zinc/83/74/40/501837440.db2.gz PWXCKNFLDSIUEX-FZKQIMNGSA-N 0 3 372.425 3.416 20 5 FGBDHN COc1cccc([C@H](CNc2cc(OC)c(F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000467719225 501854598 /nfs/dbraw/zinc/85/45/98/501854598.db2.gz YREUGRQDHYVWQU-KRWDZBQOSA-N 0 3 363.389 3.466 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485604508 501874619 /nfs/dbraw/zinc/87/46/19/501874619.db2.gz XMAPXULFNPWREF-TXEJJXNPSA-N 0 3 371.384 3.189 20 5 FGBDHN Nc1c(C(=O)NCc2ccccc2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000485633910 501882798 /nfs/dbraw/zinc/88/27/98/501882798.db2.gz MPMBQSUGIWSYHZ-UHFFFAOYSA-N 0 3 368.437 3.093 20 5 FGBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000478412385 501973150 /nfs/dbraw/zinc/97/31/50/501973150.db2.gz GGFVBUYFZDKACU-UHFFFAOYSA-N 0 3 353.220 3.079 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000478475173 501994765 /nfs/dbraw/zinc/99/47/65/501994765.db2.gz KETHVTOQLZPHLY-QWHCGFSZSA-N 0 3 351.472 3.167 20 5 FGBDHN Cc1c(CN[C@@H](C)Cn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000478484902 501997892 /nfs/dbraw/zinc/99/78/92/501997892.db2.gz CVTPPEAJFMKQLW-JTQLQIEISA-N 0 3 353.220 3.041 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2c[nH]c3ccccc23)CC1 ZINC000602758185 506287679 /nfs/dbraw/zinc/28/76/79/506287679.db2.gz FEMLJULUHJERFQ-UHFFFAOYSA-N 0 3 353.426 3.461 20 5 FGBDHN COc1cc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464675503 502060842 /nfs/dbraw/zinc/06/08/42/502060842.db2.gz ANQRRWFRNRCNOK-QGZVFWFLSA-N 0 3 373.428 3.449 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000478700499 502062156 /nfs/dbraw/zinc/06/21/56/502062156.db2.gz JRUQYGBHYMNLSK-CHWSQXEVSA-N 0 3 351.472 3.309 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468482223 502075201 /nfs/dbraw/zinc/07/52/01/502075201.db2.gz AHABQYRYKBBBLB-OAHLLOKOSA-N 0 3 353.850 3.027 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]4COCC[C@H]43)o2)c1 ZINC000464854044 502123400 /nfs/dbraw/zinc/12/34/00/502123400.db2.gz PPGOTLRCQWZCOE-DOTOQJQBSA-N 0 3 357.410 3.293 20 5 FGBDHN COc1cc(CN2CCC[C@]2(CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000475655617 502243626 /nfs/dbraw/zinc/24/36/26/502243626.db2.gz ZBCPGXPGIGPOFJ-HXUWFJFHSA-N 0 3 356.422 3.173 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236643 502362713 /nfs/dbraw/zinc/36/27/13/502362713.db2.gz IDXKJQRNHNRSBT-KBXCAEBGSA-N 0 3 354.410 3.237 20 5 FGBDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000487136376 502369976 /nfs/dbraw/zinc/36/99/76/502369976.db2.gz JXAFGAQJNOERIU-SFHVURJKSA-N 0 3 370.453 3.345 20 5 FGBDHN CC[C@@H]1CN(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000487156220 502375664 /nfs/dbraw/zinc/37/56/64/502375664.db2.gz JPLVSCWJEZPMQC-QGZVFWFLSA-N 0 3 359.426 3.055 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000487553019 502478408 /nfs/dbraw/zinc/47/84/08/502478408.db2.gz AAQWAYQNAUGUTL-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN COc1cccc([C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])N(C)C)c1 ZINC000487897282 502560136 /nfs/dbraw/zinc/56/01/36/502560136.db2.gz PURBQICHXJWBDQ-GOSISDBHSA-N 0 3 366.421 3.288 20 5 FGBDHN Cc1ccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000480459610 502574785 /nfs/dbraw/zinc/57/47/85/502574785.db2.gz IMRIUEYINIMZAI-OAHLLOKOSA-N 0 3 350.365 3.122 20 5 FGBDHN C[C@H](CCCC(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000480656727 502635185 /nfs/dbraw/zinc/63/51/85/502635185.db2.gz CIJOOPOOPGKPPO-LLVKDONJSA-N 0 3 368.377 3.079 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000462991339 502652543 /nfs/dbraw/zinc/65/25/43/502652543.db2.gz CHUGKDOGWPMZGQ-PKOBYXMFSA-N 0 3 359.470 3.250 20 5 FGBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151316 502681691 /nfs/dbraw/zinc/68/16/91/502681691.db2.gz HDYGYAHLDGLXNH-OAHLLOKOSA-N 0 3 372.400 3.378 20 5 FGBDHN O=[N+]([O-])c1cc(CNC2CCN(CC(F)F)CC2)cc(C(F)(F)F)c1 ZINC000463241629 502733417 /nfs/dbraw/zinc/73/34/17/502733417.db2.gz CTILFVCUHLMJRG-UHFFFAOYSA-N 0 3 367.318 3.433 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514972 502739288 /nfs/dbraw/zinc/73/92/88/502739288.db2.gz KLTOYOGWKQAGRA-BEFAXECRSA-N 0 3 353.422 3.235 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000477350145 502750673 /nfs/dbraw/zinc/75/06/73/502750673.db2.gz BOGSQELQVZCINU-CQSZACIVSA-N 0 3 351.834 3.257 20 5 FGBDHN C[C@H]1CC(C)(C)CC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481097536 502753636 /nfs/dbraw/zinc/75/36/36/502753636.db2.gz YVNOBYOCROGYJF-RYUDHWBXSA-N 0 3 363.414 3.066 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047574 502770540 /nfs/dbraw/zinc/77/05/40/502770540.db2.gz RTWHHNKFJKNVBP-YJBOKZPZSA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000463408192 502787259 /nfs/dbraw/zinc/78/72/59/502787259.db2.gz COJGTFQLKDSJMH-JQFCIGGWSA-N 0 3 363.458 3.412 20 5 FGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504913216 502822891 /nfs/dbraw/zinc/82/28/91/502822891.db2.gz CVNFEQSNGCEKFC-KRWDZBQOSA-N 0 3 354.410 3.381 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505605453 502948559 /nfs/dbraw/zinc/94/85/59/502948559.db2.gz QPQGFGCLDOYCOD-SCLBCKFNSA-N 0 3 357.410 3.025 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000593024911 506344278 /nfs/dbraw/zinc/34/42/78/506344278.db2.gz KLGMAYHSSYFJMQ-NVXWUHKLSA-N 0 3 350.415 3.065 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000505735724 502975987 /nfs/dbraw/zinc/97/59/87/502975987.db2.gz HRALWZHBVGVWMS-UHFFFAOYSA-N 0 3 363.483 3.454 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@H]2COCCO2)ccc1Oc1ccc(F)cc1 ZINC000513613463 502980777 /nfs/dbraw/zinc/98/07/77/502980777.db2.gz PSAQIKIPWGVHCN-INIZCTEOSA-N 0 3 362.357 3.031 20 5 FGBDHN COc1ccc(OCCN2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000505901353 503009864 /nfs/dbraw/zinc/00/98/64/503009864.db2.gz PVCBADHFLLGYHO-MRXNPFEDSA-N 0 3 372.421 3.383 20 5 FGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000501536721 503031837 /nfs/dbraw/zinc/03/18/37/503031837.db2.gz QKLOFKHTUSBZMO-VXGBXAGGSA-N 0 3 354.838 3.490 20 5 FGBDHN C[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000498159896 503121504 /nfs/dbraw/zinc/12/15/04/503121504.db2.gz WQSFZONMDDCZDH-KBXCAEBGSA-N 0 3 363.483 3.433 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC000510508669 503129015 /nfs/dbraw/zinc/12/90/15/503129015.db2.gz BWYGGJARWLRMRJ-MGPUTAFESA-N 0 3 371.437 3.090 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510554407 503143155 /nfs/dbraw/zinc/14/31/55/503143155.db2.gz STVWMDVEYWEXIW-XOBRGWDASA-N 0 3 373.428 3.392 20 5 FGBDHN CCN(CC)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccco1 ZINC000514853041 503209920 /nfs/dbraw/zinc/20/99/20/503209920.db2.gz ZCFNXUXLCOAINB-OAHLLOKOSA-N 0 3 355.398 3.048 20 5 FGBDHN CCN(CC)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccco1 ZINC000514853037 503210115 /nfs/dbraw/zinc/21/01/15/503210115.db2.gz ZCFNXUXLCOAINB-HNNXBMFYSA-N 0 3 355.398 3.048 20 5 FGBDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000502577342 503230529 /nfs/dbraw/zinc/23/05/29/503230529.db2.gz BSEGNZIPXDIJTQ-ZKYQVNSYSA-N 0 3 357.357 3.062 20 5 FGBDHN Cc1cccc(C)c1OC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511135161 503266233 /nfs/dbraw/zinc/26/62/33/503266233.db2.gz FEDVFXWGWGNNJA-SFHVURJKSA-N 0 3 358.438 3.126 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000511676977 503367527 /nfs/dbraw/zinc/36/75/27/503367527.db2.gz DECOREOILLWZHW-RDJZCZTQSA-N 0 3 353.422 3.469 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000494026660 503476441 /nfs/dbraw/zinc/47/64/41/503476441.db2.gz JIDJNISLGDWXOU-ACJLOTCBSA-N 0 3 357.385 3.127 20 5 FGBDHN NC(=O)C1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494038324 503478307 /nfs/dbraw/zinc/47/83/07/503478307.db2.gz KVDONRNYEMXMOC-KVWWFHCMSA-N 0 3 353.422 3.318 20 5 FGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(CO)Cc2ccccc2C1 ZINC000512294475 503512396 /nfs/dbraw/zinc/51/23/96/503512396.db2.gz IUBZVLLSMNZHIR-UHFFFAOYSA-N 0 3 356.422 3.002 20 5 FGBDHN COc1cccc([N+](=O)[O-])c1NCC1(N2CCC(OC)CC2)CCCC1 ZINC000516877503 503606919 /nfs/dbraw/zinc/60/69/19/503606919.db2.gz GUIGCCGZCXWPIC-UHFFFAOYSA-N 0 3 363.458 3.439 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000516886575 503608659 /nfs/dbraw/zinc/60/86/59/503608659.db2.gz OLBISWYRNKRGJO-KDOFPFPSSA-N 0 3 354.410 3.379 20 5 FGBDHN CCC[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000540176774 503698663 /nfs/dbraw/zinc/69/86/63/503698663.db2.gz GDFPJCPSWUCJEY-UAGQMJEPSA-N 0 3 354.472 3.381 20 5 FGBDHN COc1ccc(-c2ccccc2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000533188215 503753691 /nfs/dbraw/zinc/75/36/91/503753691.db2.gz CAHWOBPXTGCXLR-UHFFFAOYSA-N 0 3 352.394 3.257 20 5 FGBDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000537023428 503779587 /nfs/dbraw/zinc/77/95/87/503779587.db2.gz ZGFGGQLFKSBIMR-DOTOQJQBSA-N 0 3 374.437 3.473 20 5 FGBDHN COc1ccc(CNC(C)(C)[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537318642 503878478 /nfs/dbraw/zinc/87/84/78/503878478.db2.gz NVUZXOLHONOAMM-CQSZACIVSA-N 0 3 374.437 3.431 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCn1cc(Br)cn1 ZINC000518231217 503932474 /nfs/dbraw/zinc/93/24/74/503932474.db2.gz XTFPVWAXBIRNGX-LLVKDONJSA-N 0 3 353.220 3.213 20 5 FGBDHN COc1ccccc1[C@@]1(C)C[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518361951 503962704 /nfs/dbraw/zinc/96/27/04/503962704.db2.gz INGDUKUPRDWYTD-UYAOXDASSA-N 0 3 369.421 3.252 20 5 FGBDHN Cc1cc(NCCCN(C)CC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000541172597 504031484 /nfs/dbraw/zinc/03/14/84/504031484.db2.gz FYVWMKPPLQEBQN-UHFFFAOYSA-N 0 3 356.348 3.169 20 5 FGBDHN COC1CCN(C(C)(C)CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000544353887 504100259 /nfs/dbraw/zinc/10/02/59/504100259.db2.gz PGRNWLDAEYGYTC-UHFFFAOYSA-N 0 3 355.866 3.227 20 5 FGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCc2cccnc2)cc1 ZINC000538124391 504137889 /nfs/dbraw/zinc/13/78/89/504137889.db2.gz FKNLCYDAKBCHTG-OAHLLOKOSA-N 0 3 367.409 3.116 20 5 FGBDHN C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000544464787 504143622 /nfs/dbraw/zinc/14/36/22/504143622.db2.gz WTRZALSFUUUBQP-RHSMWYFYSA-N 0 3 373.428 3.127 20 5 FGBDHN CN(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(Cl)cc1 ZINC000541576661 504183922 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0 3 369.421 3.465 20 5 FGBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000545120153 504365033 /nfs/dbraw/zinc/36/50/33/504365033.db2.gz QJETVZSSGIRWNL-UONOGXRCSA-N 0 3 365.449 3.391 20 5 FGBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1CC1 ZINC000520034507 504401057 /nfs/dbraw/zinc/40/10/57/504401057.db2.gz FJKJKCJILFRTTL-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccnc1)C1CC1 ZINC000539050431 504458114 /nfs/dbraw/zinc/45/81/14/504458114.db2.gz LCOZFUVSRSAPRI-DJJJIMSYSA-N 0 3 354.410 3.448 20 5 FGBDHN CCNC(=O)COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539118841 504480605 /nfs/dbraw/zinc/48/06/05/504480605.db2.gz GVXRZOTZAGTGSJ-HNNXBMFYSA-N 0 3 371.437 3.269 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000520497902 504513431 /nfs/dbraw/zinc/51/34/31/504513431.db2.gz KHVHBRVFGHANMV-OAHLLOKOSA-N 0 3 371.437 3.219 20 5 FGBDHN C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532187562 504566542 /nfs/dbraw/zinc/56/65/42/504566542.db2.gz OXDVDKFYKCOHOH-QAPCUYQASA-N 0 3 374.510 3.296 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H]3CN(C4CC4)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321893 504610664 /nfs/dbraw/zinc/61/06/64/504610664.db2.gz VARRLEXYQOWKDY-ACJLOTCBSA-N 0 3 371.437 3.436 20 5 FGBDHN CN(C)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000549099495 504685249 /nfs/dbraw/zinc/68/52/49/504685249.db2.gz DKRHHRITCMBZJW-LJQANCHMSA-N 0 3 370.453 3.082 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(NCCc2ccc(OCCN(C)C)cc2)c1 ZINC000549121619 504693787 /nfs/dbraw/zinc/69/37/87/504693787.db2.gz KZCQNIOZTSZKLV-UHFFFAOYSA-N 0 3 359.426 3.198 20 5 FGBDHN C[C@@H](CCc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000543058267 504707737 /nfs/dbraw/zinc/70/77/37/504707737.db2.gz KJRRWWDMNZRTNN-HNNXBMFYSA-N 0 3 358.417 3.272 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556920142 505017815 /nfs/dbraw/zinc/01/78/15/505017815.db2.gz FAWLWTAROAZYTD-CHWSQXEVSA-N 0 3 372.512 3.021 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccccc1)CCCC2 ZINC000557149904 505079277 /nfs/dbraw/zinc/07/92/77/505079277.db2.gz MLLUNGZPHRMYLV-YLJYHZDGSA-N 0 3 356.422 3.392 20 5 FGBDHN C[C@H]1CN(CC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000557568848 505169415 /nfs/dbraw/zinc/16/94/15/505169415.db2.gz LGLGVONGHPEIRY-KBPBESRZSA-N 0 3 351.422 3.060 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000557599768 505179188 /nfs/dbraw/zinc/17/91/88/505179188.db2.gz KGGUPQUQGZTMNY-VXGBXAGGSA-N 0 3 371.359 3.312 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000566604394 505220092 /nfs/dbraw/zinc/22/00/92/505220092.db2.gz CKQMDVPTKMSJRC-KRWDZBQOSA-N 0 3 353.422 3.250 20 5 FGBDHN Cc1ccnc([C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000563726466 505222428 /nfs/dbraw/zinc/22/24/28/505222428.db2.gz OJLSKHYMEZYDOY-MRXNPFEDSA-N 0 3 368.437 3.425 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558025896 505289942 /nfs/dbraw/zinc/28/99/42/505289942.db2.gz PSDNPDHTXBFDLK-JSFADZTLSA-N 0 3 373.497 3.352 20 5 FGBDHN CN1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000561258989 505295658 /nfs/dbraw/zinc/29/56/58/505295658.db2.gz LBAQXTSWJRJCNW-HIFRSBDPSA-N 0 3 355.423 3.457 20 5 FGBDHN COC[C@@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000555003034 505325983 /nfs/dbraw/zinc/32/59/83/505325983.db2.gz QYNIKJCVKSVXAV-FOIQADDNSA-N 0 3 356.422 3.360 20 5 FGBDHN CC(C)(CO)[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000564293685 505374603 /nfs/dbraw/zinc/37/46/03/505374603.db2.gz CUITVQBQBHOYRI-INIZCTEOSA-N 0 3 350.440 3.385 20 5 FGBDHN CN(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000552028282 505375164 /nfs/dbraw/zinc/37/51/64/505375164.db2.gz SPHLNSDSHIHOCA-GFCCVEGCSA-N 0 3 367.858 3.385 20 5 FGBDHN Cc1cc(C)cc(OCCNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000564443935 505421423 /nfs/dbraw/zinc/42/14/23/505421423.db2.gz LVWOJCWTLGYSJT-UHFFFAOYSA-N 0 3 357.410 3.209 20 5 FGBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000552225748 505433437 /nfs/dbraw/zinc/43/34/37/505433437.db2.gz LRKNJVVZVKNKSW-MDZRGWNJSA-N 0 3 371.485 3.270 20 5 FGBDHN Cc1c(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])oc2ccccc12 ZINC000564561363 505453922 /nfs/dbraw/zinc/45/39/22/505453922.db2.gz AEXHCCFFJJXPQF-CQSZACIVSA-N 0 3 356.378 3.179 20 5 FGBDHN COc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000567501098 505482102 /nfs/dbraw/zinc/48/21/02/505482102.db2.gz BFMYNZWWAIGBEW-PBHICJAKSA-N 0 3 372.421 3.449 20 5 FGBDHN C[C@H](C(=O)N1CCN(C2CCC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000564676123 505489047 /nfs/dbraw/zinc/48/90/47/505489047.db2.gz IDXHOMWCCPEHBC-KBPBESRZSA-N 0 3 363.433 3.170 20 5 FGBDHN C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593116930 506403319 /nfs/dbraw/zinc/40/33/19/506403319.db2.gz MSIKTVJSGTUOEX-YOEHRIQHSA-N 0 3 374.412 3.135 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)cnc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596440387 506405736 /nfs/dbraw/zinc/40/57/36/506405736.db2.gz JGBOMCGYKVJTKE-UHFFFAOYSA-N 0 3 361.833 3.362 20 5 FGBDHN O=c1[n-]ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000596527009 506447644 /nfs/dbraw/zinc/44/76/44/506447644.db2.gz SNIGAJPWPJXPOG-MRXNPFEDSA-N 0 3 368.437 3.410 20 5 FGBDHN O=c1[n-]ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000596527009 506447651 /nfs/dbraw/zinc/44/76/51/506447651.db2.gz SNIGAJPWPJXPOG-MRXNPFEDSA-N 0 3 368.437 3.410 20 5 FGBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1(F)F ZINC000599512141 506480657 /nfs/dbraw/zinc/48/06/57/506480657.db2.gz DCKPWOOXCYIVGU-VXGBXAGGSA-N 0 3 369.368 3.116 20 5 FGBDHN COCC1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000582908583 506483573 /nfs/dbraw/zinc/48/35/73/506483573.db2.gz XEOOKEPFJIUIEV-UHFFFAOYSA-N 0 3 352.431 3.299 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599553034 506497410 /nfs/dbraw/zinc/49/74/10/506497410.db2.gz RFHSWXHNTLHQBM-UHFFFAOYSA-N 0 3 357.357 3.053 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCCNC3)cc1[N+](=O)[O-] ZINC000599625641 506537046 /nfs/dbraw/zinc/53/70/46/506537046.db2.gz QEWCTFVENZFXAU-CYBMUJFWSA-N 0 3 370.409 3.268 20 5 FGBDHN COC1CCC(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000612593534 506642409 /nfs/dbraw/zinc/64/24/09/506642409.db2.gz VOEJDSGXHJMTGJ-UHFFFAOYSA-N 0 3 350.415 3.051 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593495327 506652451 /nfs/dbraw/zinc/65/24/51/506652451.db2.gz XLXFQPYIRKYHAO-SFHVURJKSA-N 0 3 371.412 3.009 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836767 506668034 /nfs/dbraw/zinc/66/80/34/506668034.db2.gz XYVOWEPBYGYAQH-KBPBESRZSA-N 0 3 369.425 3.234 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836266 506668219 /nfs/dbraw/zinc/66/82/19/506668219.db2.gz RTARZVFTQFUKJZ-UHFFFAOYSA-N 0 3 371.441 3.483 20 5 FGBDHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000583240162 506668955 /nfs/dbraw/zinc/66/89/55/506668955.db2.gz UJEDAVPVDYWZQF-MRXNPFEDSA-N 0 3 367.449 3.479 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589938989 506683116 /nfs/dbraw/zinc/68/31/16/506683116.db2.gz KYBFIVAFYKYBHX-RNCFNFMXSA-N 0 3 370.274 3.132 20 5 FGBDHN C[C@H](O)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000608869047 506730933 /nfs/dbraw/zinc/73/09/33/506730933.db2.gz MJBLDCNXLVERNL-ZDUSSCGKSA-N 0 3 360.414 3.160 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590175822 506758675 /nfs/dbraw/zinc/75/86/75/506758675.db2.gz UYMMVOQCXRDTFY-NWDGAFQWSA-N 0 3 373.375 3.464 20 5 FGBDHN COc1ccc(CN[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000583504714 506815870 /nfs/dbraw/zinc/81/58/70/506815870.db2.gz BMXBYYXXXKDSHE-KRWDZBQOSA-N 0 3 372.421 3.451 20 5 FGBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]2N1 ZINC000597205351 506834250 /nfs/dbraw/zinc/83/42/50/506834250.db2.gz JFQRYXONWNOOOK-YOEHRIQHSA-N 0 3 371.462 3.424 20 5 FGBDHN O=C1CCCN1C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597228939 506848333 /nfs/dbraw/zinc/84/83/33/506848333.db2.gz QOEGODQMRYHFRR-HNNXBMFYSA-N 0 3 369.421 3.299 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594040682 506901418 /nfs/dbraw/zinc/90/14/18/506901418.db2.gz AGVBNIYCRSGAMA-HIFRSBDPSA-N 0 3 355.822 3.124 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000594044379 506902168 /nfs/dbraw/zinc/90/21/68/506902168.db2.gz PGZRYZVPBVYURB-LLVKDONJSA-N 0 3 371.384 3.346 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2ccco2)C1 ZINC000609540178 506915117 /nfs/dbraw/zinc/91/51/17/506915117.db2.gz SCFXXKZEAJJFPL-CYBMUJFWSA-N 0 3 359.382 3.015 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590931318 507034979 /nfs/dbraw/zinc/03/49/79/507034979.db2.gz GTMCALLJIIIMJQ-QZTJIDSGSA-N 0 3 374.485 3.358 20 5 FGBDHN Cc1ccc(NCCCNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610091188 507096435 /nfs/dbraw/zinc/09/64/35/507096435.db2.gz RRKLQHGWQVZGED-JYJNAYRXSA-N 0 3 362.474 3.083 20 5 FGBDHN CCC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000594389137 507107219 /nfs/dbraw/zinc/10/72/19/507107219.db2.gz FTKJTWDTRQYOFG-UHFFFAOYSA-N 0 3 356.426 3.089 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597925471 507177977 /nfs/dbraw/zinc/17/79/77/507177977.db2.gz PXRJYXXYIGDVFK-STQMWFEESA-N 0 3 351.472 3.064 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC2(CCCCC2)C1 ZINC000594628946 507216987 /nfs/dbraw/zinc/21/69/87/507216987.db2.gz QVASSWBAMWLFCC-AWEZNQCLSA-N 0 3 363.483 3.210 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610433447 507237106 /nfs/dbraw/zinc/23/71/06/507237106.db2.gz LPMNKVNQEBYQPF-SFHVURJKSA-N 0 3 355.438 3.180 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610433446 507237869 /nfs/dbraw/zinc/23/78/69/507237869.db2.gz LPMNKVNQEBYQPF-GOSISDBHSA-N 0 3 355.438 3.180 20 5 FGBDHN Nc1c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610521058 507276472 /nfs/dbraw/zinc/27/64/72/507276472.db2.gz AZSSHEVNCIKHOO-KRWDZBQOSA-N 0 3 368.437 3.134 20 5 FGBDHN COc1cc(CNC[C@H](OC)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000594998634 507348218 /nfs/dbraw/zinc/34/82/18/507348218.db2.gz XWDHHEBENKDYBJ-SFHVURJKSA-N 0 3 352.431 3.297 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000598261944 507349142 /nfs/dbraw/zinc/34/91/42/507349142.db2.gz JFMUZZZOXCUNIE-HUUCEWRRSA-N 0 3 365.499 3.312 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C(=O)c2ccco2)CC1 ZINC000595004442 507350969 /nfs/dbraw/zinc/35/09/69/507350969.db2.gz RYFWJQWVZUFFQY-CYBMUJFWSA-N 0 3 373.409 3.152 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(CO)CCc2ccccc21 ZINC000595046359 507366645 /nfs/dbraw/zinc/36/66/45/507366645.db2.gz PXDHYTFCIUVMCN-JLTOFOAXSA-N 0 3 356.422 3.131 20 5 FGBDHN COCc1csc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000595076114 507381233 /nfs/dbraw/zinc/38/12/33/507381233.db2.gz FBYUNUZIXQDEDK-LBPRGKRZSA-N 0 3 363.439 3.310 20 5 FGBDHN CCC[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595104445 507394553 /nfs/dbraw/zinc/39/45/53/507394553.db2.gz QKVFJJFHGGTNOZ-QZTJIDSGSA-N 0 3 360.458 3.316 20 5 FGBDHN COC(=O)c1ccnc(SCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598621536 507521704 /nfs/dbraw/zinc/52/17/04/507521704.db2.gz HYNFSXJLGLPZFD-UHFFFAOYSA-N 0 3 361.423 3.001 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192203 507531773 /nfs/dbraw/zinc/53/17/73/507531773.db2.gz GRONUZMGKRVBSA-OAHLLOKOSA-N 0 3 361.442 3.265 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702385 507638598 /nfs/dbraw/zinc/63/85/98/507638598.db2.gz JAUHJQKNHOAPSR-IRXDYDNUSA-N 0 3 374.485 3.357 20 5 FGBDHN COc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000611410987 507669794 /nfs/dbraw/zinc/66/97/94/507669794.db2.gz GNDQQEYHPFYOAN-CYBMUJFWSA-N 0 3 351.428 3.388 20 5 FGBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000595774465 507678860 /nfs/dbraw/zinc/67/88/60/507678860.db2.gz ZSWRPQWQGZVUOP-SJKOYZFVSA-N 0 3 350.369 3.108 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCCC2)OC[C@H]1C ZINC000595816453 507699100 /nfs/dbraw/zinc/69/91/00/507699100.db2.gz XFOAYDAYPQQGCG-OAHLLOKOSA-N 0 3 361.442 3.265 20 5 FGBDHN O=C(Nc1ccc2c(c1)CNCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602433549 507711248 /nfs/dbraw/zinc/71/12/48/507711248.db2.gz LYXIADYXUIUWSM-UHFFFAOYSA-N 0 3 351.406 3.301 20 5 FGBDHN COc1cccc(C2(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000595857698 507718197 /nfs/dbraw/zinc/71/81/97/507718197.db2.gz QQRZTCIPMGUXKL-QGZVFWFLSA-N 0 3 372.421 3.012 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(CCC1CC1)CC1CC1 ZINC000595872392 507720675 /nfs/dbraw/zinc/72/06/75/507720675.db2.gz XPOKYGJZYKKZQT-CYBMUJFWSA-N 0 3 361.442 3.443 20 5 FGBDHN COc1ccc(NC(=O)[C@H](C)N(CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595872346 507720792 /nfs/dbraw/zinc/72/07/92/507720792.db2.gz WBOUWHKRVWLURL-ZDUSSCGKSA-N 0 3 361.442 3.443 20 5 FGBDHN COc1ccc(C)cc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505449 507730476 /nfs/dbraw/zinc/73/04/76/507730476.db2.gz DFVHEVMMFSORJD-UHFFFAOYSA-N 0 3 356.426 3.065 20 5 FGBDHN C[C@H]1C[C@@H]1c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602517907 507734240 /nfs/dbraw/zinc/73/42/40/507734240.db2.gz KUTAMUFFFKBBFX-GUYCJALGSA-N 0 3 356.426 3.465 20 5 FGBDHN CN(C)C(=O)[C@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602545567 507744120 /nfs/dbraw/zinc/74/41/20/507744120.db2.gz FWKOZFCKBAJKMD-FZMZJTMJSA-N 0 3 373.375 3.350 20 5 FGBDHN O=[N+]([O-])c1ccsc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000588070552 507751713 /nfs/dbraw/zinc/75/17/13/507751713.db2.gz ZNOZLOSRJUMMJK-QGZVFWFLSA-N 0 3 372.494 3.053 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])o1 ZINC000151076522 704911296 /nfs/dbraw/zinc/91/12/96/704911296.db2.gz KSYCGNNBKUAMPH-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000457104799 714064512 /nfs/dbraw/zinc/06/45/12/714064512.db2.gz BVVFXHGDRFVQLC-GFCCVEGCSA-N 0 3 359.348 3.168 20 5 FGBDHN COC[C@H](C)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000783557241 724765151 /nfs/dbraw/zinc/76/51/51/724765151.db2.gz WIKNZZKLIUFTNA-GFCCVEGCSA-N 0 3 361.364 3.018 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2csc(Br)c2)c1 ZINC000749671391 722736407 /nfs/dbraw/zinc/73/64/07/722736407.db2.gz NYOVXUPOGWLVCV-GFCCVEGCSA-N 0 3 357.229 3.242 20 5 FGBDHN CN1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000758271731 722987421 /nfs/dbraw/zinc/98/74/21/722987421.db2.gz HHMSQGUWMGYBDY-IAGOWNOFSA-N 0 3 356.451 3.327 20 5 FGBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000792880908 723376671 /nfs/dbraw/zinc/37/66/71/723376671.db2.gz JJSCQHRGWQKGKF-LYRGGWFBSA-N 0 3 351.403 3.432 20 5 FGBDHN COc1cc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000766925308 723598735 /nfs/dbraw/zinc/59/87/35/723598735.db2.gz IQSMMBGWWBAZPY-ZDUSSCGKSA-N 0 3 351.428 3.388 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000784484375 724857467 /nfs/dbraw/zinc/85/74/67/724857467.db2.gz YTZICJJHRDAPDB-CYBMUJFWSA-N 0 3 354.332 3.300 20 5 FGBDHN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112221 726840397 /nfs/dbraw/zinc/84/03/97/726840397.db2.gz ODJRQHGFBIIWNY-JTQLQIEISA-N 0 3 351.790 3.024 20 5 FGBDHN Cc1ccc(OC(F)F)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819148925 727352803 /nfs/dbraw/zinc/35/28/03/727352803.db2.gz FKPOTMMTHAONER-OAHLLOKOSA-N 0 3 352.337 3.328 20 5 FGBDHN CCCCN(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCc2ncsc2C1 ZINC000842646035 730524289 /nfs/dbraw/zinc/52/42/89/730524289.db2.gz FARJJDKASFWSFY-CQSZACIVSA-N 0 3 363.487 3.482 20 5 FGBDHN Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879401 730905817 /nfs/dbraw/zinc/90/58/17/730905817.db2.gz XDQISCGYVJCUQQ-KJRLAJNESA-N 0 3 350.346 3.484 20 5 FGBDHN Cc1c(Cl)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845882571 730906123 /nfs/dbraw/zinc/90/61/23/730906123.db2.gz VZFMRQYVMRTQMY-YMTOWFKASA-N 0 3 355.753 3.084 20 5 FGBDHN CC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000847081422 731017840 /nfs/dbraw/zinc/01/78/40/731017840.db2.gz UQHOXIJYCKUKTL-ZFWWWQNUSA-N 0 3 355.822 3.124 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254749 731040820 /nfs/dbraw/zinc/04/08/20/731040820.db2.gz HIKZCEBSWWBJMY-GJZGRUSLSA-N 0 3 351.834 3.303 20 5 FGBDHN Cc1cc(Cc2noc(-c3cc4c(s3)CCNC4)n2)ccc1[N+](=O)[O-] ZINC000854142514 731797608 /nfs/dbraw/zinc/79/76/08/731797608.db2.gz PWEGXZUOVICDFX-UHFFFAOYSA-N 0 3 356.407 3.251 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c(C(F)F)c1 ZINC000865546365 733224866 /nfs/dbraw/zinc/22/48/66/733224866.db2.gz SDRUXRAAYODGQS-UHFFFAOYSA-N 0 3 355.385 3.081 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874831834 735936533 /nfs/dbraw/zinc/93/65/33/735936533.db2.gz BBOIVNIHHNJZFN-HOTGVXAUSA-N 0 3 363.483 3.406 20 5 FGBDHN Cc1csc(C[C@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000886692360 739285156 /nfs/dbraw/zinc/28/51/56/739285156.db2.gz XCWVRKJFQWKQPL-RHSMWYFYSA-N 0 3 361.467 3.348 20 5 FGBDHN COC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886915491 739314835 /nfs/dbraw/zinc/31/48/35/739314835.db2.gz FJOMRYKZYBYYIY-IINYFYTJSA-N 0 3 363.241 3.433 20 5 FGBDHN O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896521181 742561477 /nfs/dbraw/zinc/56/14/77/742561477.db2.gz HSVWVYAONRGYMH-ZDUSSCGKSA-N 0 3 370.247 3.023 20 5 FGBDHN CO[C@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCSC1 ZINC000896575543 742566692 /nfs/dbraw/zinc/56/66/92/742566692.db2.gz SPBRCRALDCZYBM-NSHDSACASA-N 0 3 367.290 3.031 20 5 FGBDHN C[C@@H](CNCc1csc(-c2ccn(C)n2)n1)c1ccccc1[N+](=O)[O-] ZINC000897458541 742680597 /nfs/dbraw/zinc/68/05/97/742680597.db2.gz AMRRAQCMYGIALR-LBPRGKRZSA-N 0 3 357.439 3.345 20 5 FGBDHN COc1cc(CNCC[C@@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1OC ZINC000922967127 759041758 /nfs/dbraw/zinc/04/17/58/759041758.db2.gz DNTHRMMQLDLHMK-AWEZNQCLSA-N 0 3 350.415 3.193 20 5 FGBDHN CCOC(=O)C1([C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000933876458 761488736 /nfs/dbraw/zinc/48/87/36/761488736.db2.gz KDOHZYJRRVEQRE-LBPRGKRZSA-N 0 3 370.833 3.086 20 5 FGBDHN CCN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000069178884 136137923 /nfs/dbraw/zinc/13/79/23/136137923.db2.gz DTYYPQDRJOJDLT-UHFFFAOYSA-N 0 3 368.437 3.297 20 5 FGBDHN COc1cc(CN[C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000573871610 505640295 /nfs/dbraw/zinc/64/02/95/505640295.db2.gz FBWQLWJOGDQTMG-UONOGXRCSA-N 0 3 360.357 3.108 20 5 FGBDHN COC[C@]1(CNCc2ccc(C)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000568333248 505667990 /nfs/dbraw/zinc/66/79/90/505667990.db2.gz QBFZQMSORMGASJ-FQEVSTJZSA-N 0 3 356.422 3.107 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000080902464 493788453 /nfs/dbraw/zinc/78/84/53/493788453.db2.gz UIZJVYJSLBYZAC-BFUOFWGJSA-N 0 3 363.458 3.009 20 5 FGBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000081293584 493862489 /nfs/dbraw/zinc/86/24/89/493862489.db2.gz GRINBVFOWYRTGP-AWEZNQCLSA-N 0 3 351.834 3.243 20 5 FGBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386861 493881397 /nfs/dbraw/zinc/88/13/97/493881397.db2.gz LCLJPPFUJLHXHH-WMLDXEAASA-N 0 3 353.422 3.380 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(CN(C)C)c1 ZINC000033084327 494043132 /nfs/dbraw/zinc/04/31/32/494043132.db2.gz PFAJWPYVYBXCMR-AWEZNQCLSA-N 0 3 373.478 3.453 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000063727226 494080710 /nfs/dbraw/zinc/08/07/10/494080710.db2.gz LOFYEOPUZFVUEP-UHFFFAOYSA-N 0 3 360.458 3.116 20 5 FGBDHN Cc1c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000054226023 494208437 /nfs/dbraw/zinc/20/84/37/494208437.db2.gz LRKWHLLQZDSVGQ-RDJZCZTQSA-N 0 3 353.422 3.469 20 5 FGBDHN Cc1cccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000054227570 494210345 /nfs/dbraw/zinc/21/03/45/494210345.db2.gz PBZAJWRVGIDWEX-DOTOQJQBSA-N 0 3 353.422 3.469 20 5 FGBDHN CC(C)C(=O)NCCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078421130 494294470 /nfs/dbraw/zinc/29/44/70/494294470.db2.gz ITSVZWBHXBDGQS-UHFFFAOYSA-N 0 3 370.453 3.225 20 5 FGBDHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000577410144 505722034 /nfs/dbraw/zinc/72/20/34/505722034.db2.gz DNYVJMSDDHDKIB-FZKQIMNGSA-N 0 3 359.401 3.257 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000045776278 494459471 /nfs/dbraw/zinc/45/94/71/494459471.db2.gz SOABFXXSHKKXCN-GOSISDBHSA-N 0 3 369.421 3.170 20 5 FGBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090939003 494506191 /nfs/dbraw/zinc/50/61/91/494506191.db2.gz XRBJNGSKVIMPGT-KGLIPLIRSA-N 0 3 352.394 3.044 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000079686298 494507441 /nfs/dbraw/zinc/50/74/41/494507441.db2.gz SJQNNZPAUUQPBI-QAPCUYQASA-N 0 3 353.422 3.378 20 5 FGBDHN C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000080231144 494644763 /nfs/dbraw/zinc/64/47/63/494644763.db2.gz RBEPGALKTVKBDK-PBHICJAKSA-N 0 3 368.437 3.159 20 5 FGBDHN Cc1ccc(CN2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587172 494677963 /nfs/dbraw/zinc/67/79/63/494677963.db2.gz RKNQFMIMNIIWAM-IAGOWNOFSA-N 0 3 361.486 3.224 20 5 FGBDHN CN(CCCN(C)Cc1c(F)cc([N+](=O)[O-])cc1F)Cc1ccco1 ZINC000577525546 505744780 /nfs/dbraw/zinc/74/47/80/505744780.db2.gz FBPSUSQAVVJPLJ-UHFFFAOYSA-N 0 3 353.369 3.420 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000026713002 494835039 /nfs/dbraw/zinc/83/50/39/494835039.db2.gz PXVCSVPMXZEDPV-WBMJQRKESA-N 0 3 350.802 3.339 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000027582774 494875768 /nfs/dbraw/zinc/87/57/68/494875768.db2.gz FKHSWKLUXIQMFQ-HNNXBMFYSA-N 0 3 361.829 3.151 20 5 FGBDHN COc1cc(CN(C)CC(C)(C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093414739 494889121 /nfs/dbraw/zinc/88/91/21/494889121.db2.gz AMXOSKKPLFSGGM-UHFFFAOYSA-N 0 3 374.437 3.385 20 5 FGBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000109627292 494898202 /nfs/dbraw/zinc/89/82/02/494898202.db2.gz CSANLHADZWCQEW-ZDUSSCGKSA-N 0 3 373.457 3.130 20 5 FGBDHN CC1(C)C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)O1 ZINC000132659565 494905896 /nfs/dbraw/zinc/90/58/96/494905896.db2.gz HJHKBPXEBPDVOT-ZDUSSCGKSA-N 0 3 355.822 3.122 20 5 FGBDHN CC(C)CCSc1ccc(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000110651593 494998536 /nfs/dbraw/zinc/99/85/36/494998536.db2.gz GHIHIGZSOXGCGW-AWEZNQCLSA-N 0 3 365.499 3.415 20 5 FGBDHN NC(=O)CC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000122699084 495018432 /nfs/dbraw/zinc/01/84/32/495018432.db2.gz GQLBNSHMQXMAQN-CQSZACIVSA-N 0 3 357.410 3.332 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110966937 495026342 /nfs/dbraw/zinc/02/63/42/495026342.db2.gz AETPXKBYHMNHFC-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000122808806 495034313 /nfs/dbraw/zinc/03/43/13/495034313.db2.gz AFWIHMHMGMYJCN-INIZCTEOSA-N 0 3 358.398 3.028 20 5 FGBDHN COc1ccc(CNCCOc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000122880185 495045486 /nfs/dbraw/zinc/04/54/86/495045486.db2.gz MVTFJMBLAOKARW-UHFFFAOYSA-N 0 3 371.315 3.186 20 5 FGBDHN C[C@@H](Cn1cncn1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101595812 495082747 /nfs/dbraw/zinc/08/27/47/495082747.db2.gz KBRFINUKJIFGBZ-ZDUSSCGKSA-N 0 3 371.372 3.296 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119557135 495190229 /nfs/dbraw/zinc/19/02/29/495190229.db2.gz HPNNPBBCLXFYRR-HNAYVOBHSA-N 0 3 353.422 3.154 20 5 FGBDHN COc1cc(CNCC2(C)COC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000112711690 495227905 /nfs/dbraw/zinc/22/79/05/495227905.db2.gz NUWVUMJRHVCGOD-UHFFFAOYSA-N 0 3 372.421 3.309 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119732671 495228953 /nfs/dbraw/zinc/22/89/53/495228953.db2.gz JFHKITPBCGUCKR-CJNGLKHVSA-N 0 3 373.840 3.499 20 5 FGBDHN Cc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000119771170 495237386 /nfs/dbraw/zinc/23/73/86/495237386.db2.gz FZLUPFCQJXQPEI-YJBOKZPZSA-N 0 3 353.422 3.154 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129697593 495282689 /nfs/dbraw/zinc/28/26/89/495282689.db2.gz WEIWKOAFSASIJE-CXAGYDPISA-N 0 3 359.451 3.469 20 5 FGBDHN CCCN(CCc1cccc(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000113266694 495291698 /nfs/dbraw/zinc/29/16/98/495291698.db2.gz HHCXITOTEYJJAD-UHFFFAOYSA-N 0 3 359.401 3.288 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccccc1 ZINC000120128537 495312644 /nfs/dbraw/zinc/31/26/44/495312644.db2.gz VWWWQQNGQAXOEU-GOSISDBHSA-N 0 3 364.405 3.176 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000140198511 495491088 /nfs/dbraw/zinc/49/10/88/495491088.db2.gz FOWXBNYOPKORDV-MRXNPFEDSA-N 0 3 373.478 3.227 20 5 FGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000106878962 495504801 /nfs/dbraw/zinc/50/48/01/495504801.db2.gz AVADKVRZHKKTTO-DOMZBBRYSA-N 0 3 365.455 3.101 20 5 FGBDHN CC[C@@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182376610 495537952 /nfs/dbraw/zinc/53/79/52/495537952.db2.gz JXOFWMZRPRASML-YPMHNXCESA-N 0 3 360.357 3.252 20 5 FGBDHN CCOc1cccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182405585 495551745 /nfs/dbraw/zinc/55/17/45/495551745.db2.gz XTASRUWPOHRTKS-GOEBONIOSA-N 0 3 360.410 3.084 20 5 FGBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182428414 495560173 /nfs/dbraw/zinc/56/01/73/495560173.db2.gz ZUCSLOMPYGDDIA-XJKSGUPXSA-N 0 3 366.364 3.354 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000158695079 495570028 /nfs/dbraw/zinc/57/00/28/495570028.db2.gz CHROECXACIPAQY-YLJYHZDGSA-N 0 3 369.465 3.455 20 5 FGBDHN C[C@H](CN1CCCCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000185440536 495577305 /nfs/dbraw/zinc/57/73/05/495577305.db2.gz OIJUVIHARLJWCK-CQSZACIVSA-N 0 3 351.472 3.068 20 5 FGBDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000179672672 495685421 /nfs/dbraw/zinc/68/54/21/495685421.db2.gz CDWUMNBAWCFKJQ-QAPCUYQASA-N 0 3 374.437 3.473 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(F)c2)CC1 ZINC000179705449 495698464 /nfs/dbraw/zinc/69/84/64/495698464.db2.gz ZIENFSPPPVJTJW-UHFFFAOYSA-N 0 3 373.384 3.350 20 5 FGBDHN COc1cc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)c([N+](=O)[O-])cc1[O-] ZINC000185749113 495708756 /nfs/dbraw/zinc/70/87/56/495708756.db2.gz MGRDUUAGNBKGOV-UHFFFAOYSA-N 0 3 373.384 3.272 20 5 FGBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000151078161 495731168 /nfs/dbraw/zinc/73/11/68/495731168.db2.gz LGZNZHSZHUTFAJ-UHFFFAOYSA-N 0 3 374.441 3.132 20 5 FGBDHN Cc1cc(C)cc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000182908645 495753059 /nfs/dbraw/zinc/75/30/59/495753059.db2.gz SRQDFBKROGWVHJ-HNNXBMFYSA-N 0 3 353.422 3.452 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000182957938 495774909 /nfs/dbraw/zinc/77/49/09/495774909.db2.gz ZDRACOMRPNQFRN-KRWDZBQOSA-N 0 3 361.486 3.480 20 5 FGBDHN Cc1c2ccccc2oc1[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183276895 495911254 /nfs/dbraw/zinc/91/12/54/495911254.db2.gz MHDPTNUAUPQSHZ-MAUKXSAKSA-N 0 3 372.425 3.194 20 5 FGBDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183334072 495935447 /nfs/dbraw/zinc/93/54/47/495935447.db2.gz NREVBUKQFNCMCK-STQMWFEESA-N 0 3 371.393 3.044 20 5 FGBDHN Cc1ccc([C@H](C)NCCNc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000151763409 495939101 /nfs/dbraw/zinc/93/91/01/495939101.db2.gz MGXPPSWLKJSNEA-NSHDSACASA-N 0 3 369.347 3.475 20 5 FGBDHN CC[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792265 495949197 /nfs/dbraw/zinc/94/91/97/495949197.db2.gz LAGRPFCNAWRBHM-NHCUHLMSSA-N 0 3 369.465 3.055 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000183396821 495963284 /nfs/dbraw/zinc/96/32/84/495963284.db2.gz HMGDJTDVHXOWBU-LJQANCHMSA-N 0 3 353.422 3.453 20 5 FGBDHN CC(C)(CCc1ccccc1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000151946534 496000934 /nfs/dbraw/zinc/00/09/34/496000934.db2.gz JOSAPSPVNADMSQ-UHFFFAOYSA-N 0 3 367.449 3.485 20 5 FGBDHN CC[C@@H](CO)NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000186528182 496032592 /nfs/dbraw/zinc/03/25/92/496032592.db2.gz NMWSTKZTMTVPQT-INIZCTEOSA-N 0 3 360.410 3.043 20 5 FGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180670908 496097536 /nfs/dbraw/zinc/09/75/36/496097536.db2.gz LXNVFODBDBWYLO-AWEZNQCLSA-N 0 3 365.393 3.070 20 5 FGBDHN Cc1c(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000174936907 496171729 /nfs/dbraw/zinc/17/17/29/496171729.db2.gz GIFGOTOJGKIUSV-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1ccnc1 ZINC000172116633 496172496 /nfs/dbraw/zinc/17/24/96/496172496.db2.gz YYDPKFLFZSVXJX-CYBMUJFWSA-N 0 3 357.439 3.341 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000580743656 505827785 /nfs/dbraw/zinc/82/77/85/505827785.db2.gz HRUURLKTFJIVET-KRWDZBQOSA-N 0 3 355.438 3.471 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccsc2)CC1 ZINC000186915822 496208227 /nfs/dbraw/zinc/20/82/27/496208227.db2.gz HHLHMZWLBNXQBW-MRXNPFEDSA-N 0 3 362.451 3.276 20 5 FGBDHN CCOC(=O)CC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000161921193 496263269 /nfs/dbraw/zinc/26/32/69/496263269.db2.gz NUUHOJPUPFSCOA-HNNXBMFYSA-N 0 3 350.415 3.029 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000181120418 496277828 /nfs/dbraw/zinc/27/78/28/496277828.db2.gz YRTLGZDQJOJKOX-SJKOYZFVSA-N 0 3 374.466 3.051 20 5 FGBDHN COc1cc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000153120307 496359867 /nfs/dbraw/zinc/35/98/67/496359867.db2.gz WUIZDOJTCQTJKD-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN COc1ccccc1C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000178207139 496370558 /nfs/dbraw/zinc/37/05/58/496370558.db2.gz YSZGEQBNNFXLIP-KRWDZBQOSA-N 0 3 371.437 3.399 20 5 FGBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000175700738 496505848 /nfs/dbraw/zinc/50/58/48/496505848.db2.gz PUGSRJGXIJVEBR-UHFFFAOYSA-N 0 3 359.451 3.393 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000187605876 496507915 /nfs/dbraw/zinc/50/79/15/496507915.db2.gz ASMCDTLRUAQBRP-LJQANCHMSA-N 0 3 353.422 3.235 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000178869287 496600088 /nfs/dbraw/zinc/60/00/88/496600088.db2.gz HEXZVKPWDXXLGP-SFHVURJKSA-N 0 3 360.385 3.063 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCN(Cc2cccs2)CC1 ZINC000173333582 496646471 /nfs/dbraw/zinc/64/64/71/496646471.db2.gz FWIVZFSZDCLFEY-UHFFFAOYSA-N 0 3 373.478 3.227 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000182175055 496698208 /nfs/dbraw/zinc/69/82/08/496698208.db2.gz OCAUBQKJORMFMO-OLZOCXBDSA-N 0 3 350.802 3.339 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179262050 496722851 /nfs/dbraw/zinc/72/28/51/496722851.db2.gz LDFZMTGBLPITTH-HKUYNNGSSA-N 0 3 368.437 3.182 20 5 FGBDHN Cc1noc(C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000277316135 496733901 /nfs/dbraw/zinc/73/39/01/496733901.db2.gz UXNSORORBHJNDA-GOSISDBHSA-N 0 3 352.394 3.402 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263905761 496760097 /nfs/dbraw/zinc/76/00/97/496760097.db2.gz KLIUZRNDSSXQLS-UHFFFAOYSA-N 0 3 368.437 3.282 20 5 FGBDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191488674 496780777 /nfs/dbraw/zinc/78/07/77/496780777.db2.gz RELLMFGFHMAZIO-UHFFFAOYSA-N 0 3 373.457 3.013 20 5 FGBDHN CCOC(=O)c1csc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000191555590 496809639 /nfs/dbraw/zinc/80/96/39/496809639.db2.gz UMCYSSJPNXNLSR-LBPRGKRZSA-N 0 3 363.439 3.430 20 5 FGBDHN O=C(CCN1CCC(c2ccncc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000191612620 496831362 /nfs/dbraw/zinc/83/13/62/496831362.db2.gz NCNOJNGNUPSPBJ-UHFFFAOYSA-N 0 3 372.400 3.337 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247339816 496839109 /nfs/dbraw/zinc/83/91/09/496839109.db2.gz JDCFKJTWJHPTHX-PBHICJAKSA-N 0 3 359.451 3.469 20 5 FGBDHN CN(C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000273976977 496980395 /nfs/dbraw/zinc/98/03/95/496980395.db2.gz VUMYLTASBIPYFG-UHFFFAOYSA-N 0 3 360.395 3.314 20 5 FGBDHN COc1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625135 497063378 /nfs/dbraw/zinc/06/33/78/497063378.db2.gz NODIEYMCLHIFSU-GUYCJALGSA-N 0 3 363.433 3.191 20 5 FGBDHN CCOc1ccc([C@H](C)NCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274342701 497075186 /nfs/dbraw/zinc/07/51/86/497075186.db2.gz DMDMYUCYBPBKJV-LBPRGKRZSA-N 0 3 362.455 3.189 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189483826 497132549 /nfs/dbraw/zinc/13/25/49/497132549.db2.gz PEPOUBOVRWHIJJ-HOTGVXAUSA-N 0 3 372.512 3.022 20 5 FGBDHN CCN1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278496585 497134493 /nfs/dbraw/zinc/13/44/93/497134493.db2.gz QBTDKONENJTOQA-UHFFFAOYSA-N 0 3 368.306 3.176 20 5 FGBDHN COc1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189599898 497177988 /nfs/dbraw/zinc/17/79/88/497177988.db2.gz XJNXPLLSHFFXIO-DOMZBBRYSA-N 0 3 362.348 3.177 20 5 FGBDHN COCc1ccccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237176258 497200495 /nfs/dbraw/zinc/20/04/95/497200495.db2.gz BUIITRUIFXRBSJ-UHFFFAOYSA-N 0 3 366.421 3.432 20 5 FGBDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192932440 497250338 /nfs/dbraw/zinc/25/03/38/497250338.db2.gz VPZXLUIDPODGCT-IBGZPJMESA-N 0 3 374.462 3.307 20 5 FGBDHN COc1cccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000271679857 497416252 /nfs/dbraw/zinc/41/62/52/497416252.db2.gz OTNKIBGKXITEKN-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN COc1ccc(CN2CCNC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261695854 497434385 /nfs/dbraw/zinc/43/43/85/497434385.db2.gz LBNVXYYODJZEHW-KRWDZBQOSA-N 0 3 361.829 3.403 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245531573 497441987 /nfs/dbraw/zinc/44/19/87/497441987.db2.gz TXQIZGBLHIKDMT-NEPJUHHUSA-N 0 3 371.384 3.046 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279468830 497447399 /nfs/dbraw/zinc/44/73/99/497447399.db2.gz PQPSLASTLPLIBX-UHFFFAOYSA-N 0 3 374.416 3.422 20 5 FGBDHN Cc1cccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193799136 497485287 /nfs/dbraw/zinc/48/52/87/497485287.db2.gz PURFRLFLEVWEJS-KRWDZBQOSA-N 0 3 353.422 3.155 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000272185279 497558755 /nfs/dbraw/zinc/55/87/55/497558755.db2.gz MGUPNHKSSYIPML-NSHDSACASA-N 0 3 373.375 3.416 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262483062 497564204 /nfs/dbraw/zinc/56/42/04/497564204.db2.gz ZRDVBTCUYFLEDS-ACJLOTCBSA-N 0 3 371.462 3.079 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506668 497569946 /nfs/dbraw/zinc/56/99/46/497569946.db2.gz YQCWGJBVYYYVQP-KBXCAEBGSA-N 0 3 371.412 3.374 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000246121638 497628715 /nfs/dbraw/zinc/62/87/15/497628715.db2.gz AUMUKCYEEHJTOW-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN CC(C)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272558262 497663261 /nfs/dbraw/zinc/66/32/61/497663261.db2.gz SNYPXRRRHNKUGQ-RBUKOAKNSA-N 0 3 371.485 3.128 20 5 FGBDHN CCC(=O)c1ccc(NCC2(N3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000280165652 497668759 /nfs/dbraw/zinc/66/87/59/497668759.db2.gz CGYYESBHSGITBV-UHFFFAOYSA-N 0 3 361.442 3.244 20 5 FGBDHN COc1cc(CNC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272672335 497697665 /nfs/dbraw/zinc/69/76/65/497697665.db2.gz UBUDIEZSRYAEBD-NWDGAFQWSA-N 0 3 374.384 3.152 20 5 FGBDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000364419337 497947893 /nfs/dbraw/zinc/94/78/93/497947893.db2.gz JBPQSEYGRVMPNM-OAHLLOKOSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]n1 ZINC000364419337 497947900 /nfs/dbraw/zinc/94/79/00/497947900.db2.gz JBPQSEYGRVMPNM-OAHLLOKOSA-N 0 3 371.441 3.143 20 5 FGBDHN CN(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301113663 497957317 /nfs/dbraw/zinc/95/73/17/497957317.db2.gz WLSXYEFNOQXINJ-QGZVFWFLSA-N 0 3 371.372 3.098 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000581329707 505962386 /nfs/dbraw/zinc/96/23/86/505962386.db2.gz BSUOQEMMOFFIFY-SWLSCSKDSA-N 0 3 361.398 3.056 20 5 FGBDHN CCc1cc(N(C)C[C@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301308722 498049897 /nfs/dbraw/zinc/04/98/97/498049897.db2.gz WVTOAWHZNVSTRC-HNNXBMFYSA-N 0 3 369.469 3.392 20 5 FGBDHN C[C@@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000301623928 498192251 /nfs/dbraw/zinc/19/22/51/498192251.db2.gz OWZSXWXIGCTGCQ-TZMCWYRMSA-N 0 3 357.439 3.379 20 5 FGBDHN COC(=O)c1cc(N2CCN(C3CCCCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301703551 498231838 /nfs/dbraw/zinc/23/18/38/498231838.db2.gz HIJAJNPACPBJNW-UHFFFAOYSA-N 0 3 361.442 3.145 20 5 FGBDHN CC1(C)c2ccccc2CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569763851 506010350 /nfs/dbraw/zinc/01/03/50/506010350.db2.gz LKCJDPGHSKBYNV-MRXNPFEDSA-N 0 3 356.422 3.128 20 5 FGBDHN CC1(C)CC[C@@H]1NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000575812004 506010651 /nfs/dbraw/zinc/01/06/51/506010651.db2.gz GFCYVZPUOOJKKI-AWEZNQCLSA-N 0 3 360.439 3.435 20 5 FGBDHN CN1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000301893499 498315212 /nfs/dbraw/zinc/31/52/12/498315212.db2.gz APJLBQXIGKUCKD-PXAZEXFGSA-N 0 3 372.454 3.194 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293564999 498413350 /nfs/dbraw/zinc/41/33/50/498413350.db2.gz SHDQEODXJFGLMZ-NSHDSACASA-N 0 3 359.348 3.218 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302175913 498429489 /nfs/dbraw/zinc/42/94/89/498429489.db2.gz OJZRCDCXSCSFAJ-NVXWUHKLSA-N 0 3 370.453 3.345 20 5 FGBDHN CN1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000361828857 498436795 /nfs/dbraw/zinc/43/67/95/498436795.db2.gz IVNVQTHFEUWHNQ-SUMWQHHRSA-N 0 3 374.466 3.250 20 5 FGBDHN O=C(CCN[C@@H](c1ccccc1)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000572713982 506034028 /nfs/dbraw/zinc/03/40/28/506034028.db2.gz QWFULBQHNRUJLP-ICSRJNTNSA-N 0 3 369.421 3.433 20 5 FGBDHN Cc1cc(NCCNC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302204989 498442005 /nfs/dbraw/zinc/44/20/05/498442005.db2.gz WNKZLETVPITHKZ-UHFFFAOYSA-N 0 3 350.378 3.293 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000297449342 498453074 /nfs/dbraw/zinc/45/30/74/498453074.db2.gz MAIKXZKUMISXPX-INIZCTEOSA-N 0 3 352.822 3.198 20 5 FGBDHN C[S@@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000282487504 498530775 /nfs/dbraw/zinc/53/07/75/498530775.db2.gz VUWLHADBNPMHRA-HSZRJFAPSA-N 0 3 350.465 3.324 20 5 FGBDHN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000302798818 498580146 /nfs/dbraw/zinc/58/01/46/498580146.db2.gz RQKRBDURXGPYSD-MRXNPFEDSA-N 0 3 359.401 3.437 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)c([N+](=O)[O-])cc1F ZINC000297900826 498603137 /nfs/dbraw/zinc/60/31/37/498603137.db2.gz YGQOAGLSLTYORL-UHFFFAOYSA-N 0 3 361.373 3.365 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365747168 498623017 /nfs/dbraw/zinc/62/30/17/498623017.db2.gz OWZMWYFMYFYLLJ-MOPGFXCFSA-N 0 3 365.433 3.189 20 5 FGBDHN Cc1nccn1CCCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290639619 498630235 /nfs/dbraw/zinc/63/02/35/498630235.db2.gz YJZUJSURBRBEDT-UHFFFAOYSA-N 0 3 354.357 3.223 20 5 FGBDHN C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C1 ZINC000302938902 498630813 /nfs/dbraw/zinc/63/08/13/498630813.db2.gz HHKJXSVAXPQNNC-ZDUSSCGKSA-N 0 3 370.409 3.180 20 5 FGBDHN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C1 ZINC000302938902 498630821 /nfs/dbraw/zinc/63/08/21/498630821.db2.gz HHKJXSVAXPQNNC-ZDUSSCGKSA-N 0 3 370.409 3.180 20 5 FGBDHN Cc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000294297596 498648167 /nfs/dbraw/zinc/64/81/67/498648167.db2.gz NBCGMWXEGVVIAA-AWEZNQCLSA-N 0 3 355.442 3.331 20 5 FGBDHN Cc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000294297606 498648206 /nfs/dbraw/zinc/64/82/06/498648206.db2.gz NBCGMWXEGVVIAA-CQSZACIVSA-N 0 3 355.442 3.331 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000287325270 498717149 /nfs/dbraw/zinc/71/71/49/498717149.db2.gz WQRNJDNTTULLKF-DZGCQCFKSA-N 0 3 362.430 3.084 20 5 FGBDHN CCN(CC)C(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000303850385 498721952 /nfs/dbraw/zinc/72/19/52/498721952.db2.gz DMEOWRQBSRGXBV-UHFFFAOYSA-N 0 3 363.458 3.135 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311826403 498753693 /nfs/dbraw/zinc/75/36/93/498753693.db2.gz RHKYNAQZRWHHSO-DYVFJYSZSA-N 0 3 357.385 3.127 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000312641977 498761740 /nfs/dbraw/zinc/76/17/40/498761740.db2.gz JRQZSZZCDLVMOA-MRXNPFEDSA-N 0 3 371.412 3.376 20 5 FGBDHN Cc1ccc(CN2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000294685566 498773708 /nfs/dbraw/zinc/77/37/08/498773708.db2.gz AECGZAHCISOJRB-SFHVURJKSA-N 0 3 370.453 3.033 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(CCC(F)(F)F)CC1 ZINC000291159870 498822244 /nfs/dbraw/zinc/82/22/44/498822244.db2.gz LXOHWAAJTGMDAN-UHFFFAOYSA-N 0 3 361.364 3.110 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000324427406 498826825 /nfs/dbraw/zinc/82/68/25/498826825.db2.gz AUNOGGAKOAGDJO-AWEZNQCLSA-N 0 3 371.220 3.431 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266656 498869669 /nfs/dbraw/zinc/86/96/69/498869669.db2.gz DNGBTEYGMGMYLU-HZMBPMFUSA-N 0 3 372.252 3.458 20 5 FGBDHN CC(=O)c1ccc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000363589796 498892088 /nfs/dbraw/zinc/89/20/88/498892088.db2.gz VNEPQNKKTXZEKU-XOKHGSTOSA-N 0 3 361.442 3.099 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295419710 499012115 /nfs/dbraw/zinc/01/21/15/499012115.db2.gz WVVJWPPTZSRWMV-CHWSQXEVSA-N 0 3 351.834 3.255 20 5 FGBDHN CCOc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291706463 499042452 /nfs/dbraw/zinc/04/24/52/499042452.db2.gz IGWSCKLULBYFKA-HXUWFJFHSA-N 0 3 356.422 3.130 20 5 FGBDHN CC(C)c1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370706725 499246252 /nfs/dbraw/zinc/24/62/52/499246252.db2.gz CJCVAYLPENQUDD-FXAWDEMLSA-N 0 3 374.529 3.176 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H](CN3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000368592286 499311061 /nfs/dbraw/zinc/31/10/61/499311061.db2.gz KRRCSZDOWMXRDX-IBGZPJMESA-N 0 3 374.529 3.178 20 5 FGBDHN Cc1cccc(C(=O)NC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000368801751 499334253 /nfs/dbraw/zinc/33/42/53/499334253.db2.gz FZZZSIAOOHQNBL-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN Cn1ccnc1[C@H](N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666764 499352915 /nfs/dbraw/zinc/35/29/15/499352915.db2.gz WTESDMUCRRWHGI-VQIMIIECSA-N 0 3 369.469 3.024 20 5 FGBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000373420660 499468844 /nfs/dbraw/zinc/46/88/44/499468844.db2.gz YXHYSELMTVBXCX-UHFFFAOYSA-N 0 3 371.359 3.130 20 5 FGBDHN CN(CCNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000386693167 499549352 /nfs/dbraw/zinc/54/93/52/499549352.db2.gz KWWZOAQNHKISDW-UHFFFAOYSA-N 0 3 365.231 3.296 20 5 FGBDHN COC[C@H]1CCCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000376370974 499603835 /nfs/dbraw/zinc/60/38/35/499603835.db2.gz SGIXINPTKWULFY-KBPBESRZSA-N 0 3 360.414 3.454 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000411416918 499737770 /nfs/dbraw/zinc/73/77/70/499737770.db2.gz LUFHHZCFCJEJSM-QGZVFWFLSA-N 0 3 370.409 3.164 20 5 FGBDHN NC(=O)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000377848734 499741875 /nfs/dbraw/zinc/74/18/75/499741875.db2.gz ZQLOVIPPFUCSJC-LLVKDONJSA-N 0 3 363.801 3.206 20 5 FGBDHN CSc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000411462853 499743817 /nfs/dbraw/zinc/74/38/17/499743817.db2.gz VKCMZLILLXMBMG-BBRMVZONSA-N 0 3 362.451 3.407 20 5 FGBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000414490386 499798817 /nfs/dbraw/zinc/79/88/17/499798817.db2.gz BDTXSZKFVMXSKB-INIZCTEOSA-N 0 3 358.394 3.388 20 5 FGBDHN COc1cc(CN[C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411940979 499805138 /nfs/dbraw/zinc/80/51/38/499805138.db2.gz GSQLCUDSYGULGI-BMLIUANNSA-N 0 3 374.384 3.498 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414555969 499808004 /nfs/dbraw/zinc/80/80/04/499808004.db2.gz UZRPYFGAJFSHQP-BBLCHGJFSA-N 0 3 357.454 3.475 20 5 FGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1occc1C ZINC000412029336 499814742 /nfs/dbraw/zinc/81/47/42/499814742.db2.gz UAGVGJQKJUSACJ-UHFFFAOYSA-N 0 3 361.398 3.356 20 5 FGBDHN Cc1nnc([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000412033327 499815159 /nfs/dbraw/zinc/81/51/59/499815159.db2.gz CTSLSJFIQUTLLJ-SNVBAGLBSA-N 0 3 355.320 3.030 20 5 FGBDHN C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])N(C)C ZINC000412396394 499851463 /nfs/dbraw/zinc/85/14/63/499851463.db2.gz VQNSUQXRMINYTB-ZDUSSCGKSA-N 0 3 359.451 3.426 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])c3ncccc23)ccn1 ZINC000413216672 499928109 /nfs/dbraw/zinc/92/81/09/499928109.db2.gz UOCSUJRLSAMMHA-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CCC[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCN1CCOC ZINC000413224572 499929305 /nfs/dbraw/zinc/92/93/05/499929305.db2.gz YSOVCIXFHXWVGF-KRWDZBQOSA-N 0 3 358.442 3.080 20 5 FGBDHN CC(C)(NC(=O)CCN1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000416237935 499991191 /nfs/dbraw/zinc/99/11/91/499991191.db2.gz GCWHVRZIOBNCHK-UHFFFAOYSA-N 0 3 367.449 3.395 20 5 FGBDHN CCC1(CC)[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000429286139 500042397 /nfs/dbraw/zinc/04/23/97/500042397.db2.gz PWFROUFXHXIKNR-GJZGRUSLSA-N 0 3 369.849 3.370 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000429296530 500046696 /nfs/dbraw/zinc/04/66/96/500046696.db2.gz CHYWLBFHIBSRIK-XWIAVFTESA-N 0 3 363.458 3.271 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000417947526 500202913 /nfs/dbraw/zinc/20/29/13/500202913.db2.gz SEDWTJBVLCRFGP-IBGZPJMESA-N 0 3 370.453 3.260 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCS(=O)(=O)Cc1ccccc1 ZINC000573385803 506185417 /nfs/dbraw/zinc/18/54/17/506185417.db2.gz JWEUKXZTKQQGKM-GOSISDBHSA-N 0 3 374.462 3.177 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c2ccccc21 ZINC000579486567 506186517 /nfs/dbraw/zinc/18/65/17/506186517.db2.gz JUUUUMUBZNAGSC-CYBMUJFWSA-N 0 3 355.369 3.400 20 5 FGBDHN CC(C)c1ccc(CN2CCN(C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000426546785 500287494 /nfs/dbraw/zinc/28/74/94/500287494.db2.gz XKBXXZRTUOAZOF-MRXNPFEDSA-N 0 3 361.486 3.403 20 5 FGBDHN COC(=O)c1cc(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423003099 500329714 /nfs/dbraw/zinc/32/97/14/500329714.db2.gz KQWFWALXAJLITO-INIZCTEOSA-N 0 3 371.393 3.046 20 5 FGBDHN Cn1cc(CN2CCC[C@H](OCC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428371650 500501943 /nfs/dbraw/zinc/50/19/43/500501943.db2.gz GJTJQRLQFSCJFQ-IBGZPJMESA-N 0 3 370.453 3.386 20 5 FGBDHN CN(C)CCN(C)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686303 500611178 /nfs/dbraw/zinc/61/11/78/500611178.db2.gz HGOJSYKTGAHYLC-UHFFFAOYSA-N 0 3 359.451 3.380 20 5 FGBDHN CNC(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433169533 500638383 /nfs/dbraw/zinc/63/83/83/500638383.db2.gz XRJVORVROWUFDE-GOSISDBHSA-N 0 3 353.422 3.467 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447681691 500644452 /nfs/dbraw/zinc/64/44/52/500644452.db2.gz QPLZVWGJXVNBSO-UHFFFAOYSA-N 0 3 366.425 3.219 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000437525194 500655423 /nfs/dbraw/zinc/65/54/23/500655423.db2.gz OSFOFUOFTYLXQX-LJQANCHMSA-N 0 3 356.422 3.307 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000433442993 500694752 /nfs/dbraw/zinc/69/47/52/500694752.db2.gz MCZVKTNJRGROIQ-UHFFFAOYSA-N 0 3 374.416 3.393 20 5 FGBDHN Cc1ccc(NCCCNC(=O)c2ccccc2CN(C)C)c([N+](=O)[O-])c1 ZINC000433479757 500701860 /nfs/dbraw/zinc/70/18/60/500701860.db2.gz YHHZNPQRKZMOON-UHFFFAOYSA-N 0 3 370.453 3.197 20 5 FGBDHN Cc1c(NC(=O)CCN2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000570735986 506216094 /nfs/dbraw/zinc/21/60/94/506216094.db2.gz CCHINDYDYPUYFP-UHFFFAOYSA-N 0 3 374.485 3.182 20 5 FGBDHN CCCN(CC)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444105046 500803950 /nfs/dbraw/zinc/80/39/50/500803950.db2.gz JTUGTEZJBGNQHG-UHFFFAOYSA-N 0 3 369.440 3.282 20 5 FGBDHN Cc1c(CC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439306012 500883430 /nfs/dbraw/zinc/88/34/30/500883430.db2.gz WNBDWUIQFYQUOY-LJQANCHMSA-N 0 3 367.449 3.179 20 5 FGBDHN Cc1ccc([C@]2(C)CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748193 500889068 /nfs/dbraw/zinc/88/90/68/500889068.db2.gz NZLSISWFHCRUBZ-WIYYLYMNSA-N 0 3 370.449 3.307 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CCCC1=O ZINC000449072635 500917035 /nfs/dbraw/zinc/91/70/35/500917035.db2.gz FYIQOTHXNBYXEB-MRXNPFEDSA-N 0 3 367.449 3.438 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(C(=O)NC2CC2)c1 ZINC000449104720 500926549 /nfs/dbraw/zinc/92/65/49/500926549.db2.gz WVVQJFQXDOZJGA-CQSZACIVSA-N 0 3 353.422 3.208 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000445114551 500945588 /nfs/dbraw/zinc/94/55/88/500945588.db2.gz OVRAMUHFFUFSGW-HNNXBMFYSA-N 0 3 362.474 3.385 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000449287222 500967011 /nfs/dbraw/zinc/96/70/11/500967011.db2.gz WIPSKHZDOLAHGM-KBXCAEBGSA-N 0 3 371.412 3.056 20 5 FGBDHN COc1cc(OC)c(C[C@@H](C)NCc2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000449465789 501009178 /nfs/dbraw/zinc/00/91/78/501009178.db2.gz BUXYSMACBPMONY-LLVKDONJSA-N 0 3 366.439 3.403 20 5 FGBDHN CCc1cccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440498473 501015963 /nfs/dbraw/zinc/01/59/63/501015963.db2.gz YGSMRNOXNCAHNX-INIZCTEOSA-N 0 3 356.426 3.117 20 5 FGBDHN CC(=O)NC1CCC(N(C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602606515 506229648 /nfs/dbraw/zinc/22/96/48/506229648.db2.gz GFZMAOUZWVFELU-UHFFFAOYSA-N 0 3 373.375 3.493 20 5 FGBDHN CCN(CC)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435824485 501034046 /nfs/dbraw/zinc/03/40/46/501034046.db2.gz DFCKXYHGGFLYKU-UHFFFAOYSA-N 0 3 373.403 3.031 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000446102871 501075120 /nfs/dbraw/zinc/07/51/20/501075120.db2.gz KULJLLSKLNUDLR-NVXWUHKLSA-N 0 3 353.422 3.469 20 5 FGBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000450388594 501108756 /nfs/dbraw/zinc/10/87/56/501108756.db2.gz ISLAURRVPWUSQR-MRXNPFEDSA-N 0 3 370.453 3.224 20 5 FGBDHN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)C1CC1 ZINC000436419459 501124625 /nfs/dbraw/zinc/12/46/25/501124625.db2.gz XUNZPUFJIPGBPL-GFCCVEGCSA-N 0 3 367.424 3.033 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCOc4c(F)cccc43)CC2)cn1 ZINC000602627751 506236404 /nfs/dbraw/zinc/23/64/04/506236404.db2.gz SDVDCCCXDQUPHA-QGZVFWFLSA-N 0 3 372.400 3.211 20 5 FGBDHN CC(C)[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000596069631 506239646 /nfs/dbraw/zinc/23/96/46/506239646.db2.gz HFRODFCXZUUYCK-MRXNPFEDSA-N 0 3 374.407 3.298 20 5 FGBDHN COC(=O)Cc1ccc(NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000450214087 501211722 /nfs/dbraw/zinc/21/17/22/501211722.db2.gz GSPBBSCTTXHZFE-SFHVURJKSA-N 0 3 357.410 3.025 20 5 FGBDHN CCOc1cc(CN[C@H]2CCCCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000451239618 501254203 /nfs/dbraw/zinc/25/42/03/501254203.db2.gz WYTXRFZJQIIDSO-CABCVRRESA-N 0 3 350.415 3.205 20 5 FGBDHN Cc1c([C@@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000453229136 501294848 /nfs/dbraw/zinc/29/48/48/501294848.db2.gz GEAZTILAHFGLMA-ZIAGYGMSSA-N 0 3 360.435 3.125 20 5 FGBDHN CC[NH+](CC)CCOc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078117 506244809 /nfs/dbraw/zinc/24/48/09/506244809.db2.gz ZNYOEOKAALQXMU-UHFFFAOYSA-N 0 3 360.414 3.028 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CS(=O)(=O)c3ccccc31)CCC2 ZINC000453240522 501297401 /nfs/dbraw/zinc/29/74/01/501297401.db2.gz WNARIPCZBLAJMS-KSSFIOAISA-N 0 3 372.446 3.133 20 5 FGBDHN COCC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000451695610 501352954 /nfs/dbraw/zinc/35/29/54/501352954.db2.gz QOTMSSQRPSQPKH-CQSZACIVSA-N 0 3 372.347 3.178 20 5 FGBDHN COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1c1ccccc1 ZINC000451997586 501416087 /nfs/dbraw/zinc/41/60/87/501416087.db2.gz ALHFIHUZXAVFCE-ROUUACIJSA-N 0 3 354.406 3.292 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458305443 501416783 /nfs/dbraw/zinc/41/67/83/501416783.db2.gz ZLZPGOABOIUIDD-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CN(Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000452725193 501551905 /nfs/dbraw/zinc/55/19/05/501551905.db2.gz YXWXPLXDURPNCD-UHFFFAOYSA-N 0 3 359.451 3.441 20 5 FGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452980549 501596277 /nfs/dbraw/zinc/59/62/77/501596277.db2.gz VYCPLGIVWKVQGQ-XJKSGUPXSA-N 0 3 363.483 3.263 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCCN2CC(F)F)c1 ZINC000598986500 506262805 /nfs/dbraw/zinc/26/28/05/506262805.db2.gz BINNGMPMSGKZAR-GFCCVEGCSA-N 0 3 365.327 3.015 20 5 FGBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000457362929 501687427 /nfs/dbraw/zinc/68/74/27/501687427.db2.gz NOQOBOKETZANCY-HKUYNNGSSA-N 0 3 369.421 3.216 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000481389405 501759067 /nfs/dbraw/zinc/75/90/67/501759067.db2.gz HOELFXWYFISICK-QGZVFWFLSA-N 0 3 360.389 3.467 20 5 FGBDHN COC(=O)COc1ccc(CNC(C)(C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000474347127 501799004 /nfs/dbraw/zinc/79/90/04/501799004.db2.gz DCUOFGHFMHRFTM-UHFFFAOYSA-N 0 3 372.421 3.480 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)N(C)C)cc1 ZINC000474389971 501818681 /nfs/dbraw/zinc/81/86/81/501818681.db2.gz GKIWSMLDFUREOR-SFHVURJKSA-N 0 3 371.437 3.199 20 5 FGBDHN C[C@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000477928543 501830797 /nfs/dbraw/zinc/83/07/97/501830797.db2.gz DUDYLQXLACYIEG-JSGCOSHPSA-N 0 3 350.365 3.375 20 5 FGBDHN C[C@@H](NCCNc1ccc(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000481622802 501835541 /nfs/dbraw/zinc/83/55/41/501835541.db2.gz GWBDYFOTZXKMBL-OAHLLOKOSA-N 0 3 363.421 3.236 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(CCO)(CCO)CC3)o2)c1 ZINC000602733068 506277873 /nfs/dbraw/zinc/27/78/73/506277873.db2.gz SIGWRYBBXFDDFN-UHFFFAOYSA-N 0 3 374.437 3.202 20 5 FGBDHN O=[N+]([O-])c1cccnc1N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000467792783 501874833 /nfs/dbraw/zinc/87/48/33/501874833.db2.gz KXOOSAJZPZSIEW-HXUWFJFHSA-N 0 3 352.438 3.482 20 5 FGBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000467841542 501887877 /nfs/dbraw/zinc/88/78/77/501887877.db2.gz VBHCUTCVJJILEG-MSOLQXFVSA-N 0 3 368.481 3.456 20 5 FGBDHN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000474785278 501951634 /nfs/dbraw/zinc/95/16/34/501951634.db2.gz RSZSJOPKKAUBIE-MNOVXSKESA-N 0 3 357.252 3.427 20 5 FGBDHN C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000478557505 502017962 /nfs/dbraw/zinc/01/79/62/502017962.db2.gz AVJXTNGEWRUANF-UONOGXRCSA-N 0 3 351.472 3.066 20 5 FGBDHN COc1c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116939 502066463 /nfs/dbraw/zinc/06/64/63/502066463.db2.gz GQNSVWBMVAXJHT-GDBMZVCRSA-N 0 3 369.421 3.169 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000468469715 502068188 /nfs/dbraw/zinc/06/81/88/502068188.db2.gz MUXRZXSFYJOJRW-ZDUSSCGKSA-N 0 3 373.375 3.464 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000468474977 502070484 /nfs/dbraw/zinc/07/04/84/502070484.db2.gz LGRWNXAICFOWNK-OAHLLOKOSA-N 0 3 351.472 3.167 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000468493929 502079559 /nfs/dbraw/zinc/07/95/59/502079559.db2.gz YTUSOGIAHQCOBB-AWEZNQCLSA-N 0 3 351.472 3.167 20 5 FGBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1cccc(OC)c1 ZINC000471629633 502093804 /nfs/dbraw/zinc/09/38/04/502093804.db2.gz UZQVPZMDPLTQKC-SFHVURJKSA-N 0 3 358.442 3.224 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COc1ccc(F)cc1 ZINC000468629586 502130860 /nfs/dbraw/zinc/13/08/60/502130860.db2.gz FMYXZRFTLQSAGS-GIIHOQTISA-N 0 3 360.385 3.167 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(N2CCOCC2)nc1 ZINC000468640578 502133646 /nfs/dbraw/zinc/13/36/46/502133646.db2.gz WYMLBQGKLSFNTQ-LFIBNONCSA-N 0 3 368.437 3.020 20 5 FGBDHN CN(C)[C@@]1(CNc2ccc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000479436835 502260060 /nfs/dbraw/zinc/26/00/60/502260060.db2.gz KOEBDOSWKUFNTP-CYBMUJFWSA-N 0 3 360.277 3.207 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000475712435 502260465 /nfs/dbraw/zinc/26/04/65/502260465.db2.gz ZNWWAIATJUYWOQ-ZIAGYGMSSA-N 0 3 350.415 3.157 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000483268693 502333620 /nfs/dbraw/zinc/33/36/20/502333620.db2.gz JHQWVCPTOIQPMD-UHFFFAOYSA-N 0 3 374.466 3.002 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000462603434 502502925 /nfs/dbraw/zinc/50/29/25/502502925.db2.gz PNZQMACXJAWEHS-WBVHZDCISA-N 0 3 361.486 3.352 20 5 FGBDHN CS[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000487723308 502514247 /nfs/dbraw/zinc/51/42/47/502514247.db2.gz SKQKRDKMXPOFPA-IAGOWNOFSA-N 0 3 358.467 3.159 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000599094874 506321090 /nfs/dbraw/zinc/32/10/90/506321090.db2.gz ZSUXXGGNTGHBEF-HIFRSBDPSA-N 0 3 363.483 3.209 20 5 FGBDHN COc1ccc(-c2ccc(CNC3(CN(C)C)CCC3)o2)c([N+](=O)[O-])c1 ZINC000466415991 502565301 /nfs/dbraw/zinc/56/53/01/502565301.db2.gz HQFGUGGHXFPIKW-UHFFFAOYSA-N 0 3 359.426 3.437 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006503 502597405 /nfs/dbraw/zinc/59/74/05/502597405.db2.gz GGUQAXCNXASSSD-BORJPKMPSA-N 0 3 360.458 3.028 20 5 FGBDHN CC(C)(CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000466567213 502610805 /nfs/dbraw/zinc/61/08/05/502610805.db2.gz OWBLSOXZPUKZPV-UHFFFAOYSA-N 0 3 368.865 3.312 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462877100 502611262 /nfs/dbraw/zinc/61/12/62/502611262.db2.gz MMDJANPGYULWGF-OCTSTCLRSA-N 0 3 353.422 3.287 20 5 FGBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000473529542 502624067 /nfs/dbraw/zinc/62/40/67/502624067.db2.gz XTAJSYVVSDBBLP-QGZVFWFLSA-N 0 3 370.453 3.224 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000462991336 502652620 /nfs/dbraw/zinc/65/26/20/502652620.db2.gz CHUGKDOGWPMZGQ-HKUYNNGSSA-N 0 3 359.470 3.250 20 5 FGBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000470148871 502679109 /nfs/dbraw/zinc/67/91/09/502679109.db2.gz XTCNVTNDDGNLFJ-HNNXBMFYSA-N 0 3 358.373 3.130 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000470174529 502695221 /nfs/dbraw/zinc/69/52/21/502695221.db2.gz LVFROBFXRVDRHA-MOKGIYGOSA-N 0 3 359.470 3.183 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000470179191 502697633 /nfs/dbraw/zinc/69/76/33/502697633.db2.gz UCMQEZJTVUHBKC-SPQRHKFCSA-N 0 3 357.454 3.236 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000470181930 502699139 /nfs/dbraw/zinc/69/91/39/502699139.db2.gz HISWWEDUZHIABE-FJJYYWMZSA-N 0 3 359.470 3.482 20 5 FGBDHN CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N(C)C)cc1 ZINC000596251525 506330073 /nfs/dbraw/zinc/33/00/73/506330073.db2.gz XDADHZHESRBZBO-KRWDZBQOSA-N 0 3 374.466 3.130 20 5 FGBDHN CC[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000466934457 502732229 /nfs/dbraw/zinc/73/22/29/502732229.db2.gz PAGRJBLTHWMOIP-ZWKOTPCHSA-N 0 3 356.422 3.171 20 5 FGBDHN CCCCN(C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000488963602 502848389 /nfs/dbraw/zinc/84/83/89/502848389.db2.gz VGDAQSKMNSCGST-UHFFFAOYSA-N 0 3 362.455 3.180 20 5 FGBDHN COCCN(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000505073003 502848484 /nfs/dbraw/zinc/84/84/84/502848484.db2.gz DCGNGQIPVHULPN-LJQANCHMSA-N 0 3 371.437 3.034 20 5 FGBDHN CCCN(CCN1CCCCC1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000513134343 502861141 /nfs/dbraw/zinc/86/11/41/502861141.db2.gz WVEFEWPARFOKOA-UHFFFAOYSA-N 0 3 362.474 3.040 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513224255 502883330 /nfs/dbraw/zinc/88/33/30/502883330.db2.gz SPJFEJOGMBTQGN-CYBMUJFWSA-N 0 3 367.409 3.459 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509574459 502938890 /nfs/dbraw/zinc/93/88/90/502938890.db2.gz RVXMHHNYTTUVNK-HOCLYGCPSA-N 0 3 374.441 3.459 20 5 FGBDHN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H](c1ccccc1)N(C)C ZINC000505576173 502939562 /nfs/dbraw/zinc/93/95/62/502939562.db2.gz WTWXQGXULWFDBL-DJJJIMSYSA-N 0 3 366.421 3.497 20 5 FGBDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501931496 503110801 /nfs/dbraw/zinc/11/08/01/503110801.db2.gz VHKBSWJJDYOXRU-BXKDBHETSA-N 0 3 356.220 3.074 20 5 FGBDHN COc1cccc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510524489 503133108 /nfs/dbraw/zinc/13/31/08/503133108.db2.gz LJQKPWUMWLUFPF-KBXCAEBGSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510542420 503139294 /nfs/dbraw/zinc/13/92/94/503139294.db2.gz YSYRHFKDWVNZPV-SCLBCKFNSA-N 0 3 359.401 3.464 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000498386778 503175666 /nfs/dbraw/zinc/17/56/66/503175666.db2.gz KLDAKBDQLWKOJK-UHFFFAOYSA-N 0 3 362.474 3.045 20 5 FGBDHN C[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000490515380 503187266 /nfs/dbraw/zinc/18/72/66/503187266.db2.gz VZPIZFTVYXJUTO-GOSISDBHSA-N 0 3 359.451 3.441 20 5 FGBDHN C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510935203 503221196 /nfs/dbraw/zinc/22/11/96/503221196.db2.gz RZSOECZPVZEEES-LPHOPBHVSA-N 0 3 367.449 3.479 20 5 FGBDHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000502562511 503225534 /nfs/dbraw/zinc/22/55/34/503225534.db2.gz HBOMNWOGQSUXQG-APWZRJJASA-N 0 3 362.401 3.461 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000507299779 503273405 /nfs/dbraw/zinc/27/34/05/503273405.db2.gz CPCFBVUCIYRZPG-OLZOCXBDSA-N 0 3 363.483 3.452 20 5 FGBDHN CCOc1ccc(NC(=O)CNC(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507364580 503285166 /nfs/dbraw/zinc/28/51/66/503285166.db2.gz YWSYNXCCECUQIG-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502867918 503293416 /nfs/dbraw/zinc/29/34/16/503293416.db2.gz PLNGXMWMQAFPFX-GXFFZTMASA-N 0 3 370.247 3.464 20 5 FGBDHN O=[N+]([O-])c1cccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593068964 506372647 /nfs/dbraw/zinc/37/26/47/506372647.db2.gz QETSDVOAWBBPLT-NHCUHLMSSA-N 0 3 367.449 3.070 20 5 FGBDHN COC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC000494504611 503553297 /nfs/dbraw/zinc/55/32/97/503553297.db2.gz AAIOHHUIIJRDCT-OAHLLOKOSA-N 0 3 362.348 3.145 20 5 FGBDHN C[C@]1(c2ccccc2)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184787 503574406 /nfs/dbraw/zinc/57/44/06/503574406.db2.gz WMZOHEDEWIDHIB-FPOVZHCZSA-N 0 3 370.449 3.388 20 5 FGBDHN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000500526834 503641708 /nfs/dbraw/zinc/64/17/08/503641708.db2.gz ZOBHQMVSFLPRQI-BEFAXECRSA-N 0 3 370.453 3.128 20 5 FGBDHN Cn1cc(CNCC2(C(F)(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512903811 503651861 /nfs/dbraw/zinc/65/18/61/503651861.db2.gz HEXVTCTUBKSLEF-UHFFFAOYSA-N 0 3 354.332 3.427 20 5 FGBDHN O=C1CCCN1Cc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000517172470 503662961 /nfs/dbraw/zinc/66/29/61/503662961.db2.gz HQPKWMQPBIIDJL-LJQANCHMSA-N 0 3 365.433 3.494 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](Cc2ccccc2)C1 ZINC000543206946 503679554 /nfs/dbraw/zinc/67/95/54/503679554.db2.gz GQYVUTBFYYVOER-MOPGFXCFSA-N 0 3 370.449 3.289 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnn(C(C)C)c1 ZINC000543502752 503795345 /nfs/dbraw/zinc/79/53/45/503795345.db2.gz HPEJLOFABJSEPH-CQSZACIVSA-N 0 3 359.430 3.360 20 5 FGBDHN C[C@@H](N[C@@H](C)CCN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000546660865 503828705 /nfs/dbraw/zinc/82/87/05/503828705.db2.gz SBJWGJVIWBOJTP-UONOGXRCSA-N 0 3 367.405 3.320 20 5 FGBDHN COC(=O)CC1(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCC1 ZINC000540812047 503901318 /nfs/dbraw/zinc/90/13/18/503901318.db2.gz GWTTVQLAELNXDO-UHFFFAOYSA-N 0 3 374.393 3.439 20 5 FGBDHN C[C@]1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCc2ccccc21 ZINC000537605873 503971831 /nfs/dbraw/zinc/97/18/31/503971831.db2.gz GWDFDMMVMNHHSJ-NRFANRHFSA-N 0 3 365.433 3.325 20 5 FGBDHN CC1(c2ccccc2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544071709 503996460 /nfs/dbraw/zinc/99/64/60/503996460.db2.gz UYFCZSUBLHJITL-GOSISDBHSA-N 0 3 370.449 3.388 20 5 FGBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000534144604 504054031 /nfs/dbraw/zinc/05/40/31/504054031.db2.gz VLFHEVDBZAPYSU-UHFFFAOYSA-N 0 3 370.453 3.204 20 5 FGBDHN O=C(C1CC1)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000518767570 504057498 /nfs/dbraw/zinc/05/74/98/504057498.db2.gz IMQICHCOALLUHR-UHFFFAOYSA-N 0 3 369.421 3.345 20 5 FGBDHN CN(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530857677 504110085 /nfs/dbraw/zinc/11/00/85/504110085.db2.gz YJZUBUAKRVLARM-MRXNPFEDSA-N 0 3 362.817 3.062 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000534329514 504111679 /nfs/dbraw/zinc/11/16/79/504111679.db2.gz AXXIODRBPGGSEW-HOCLYGCPSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@H]1CC(C)(C)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541739672 504238953 /nfs/dbraw/zinc/23/89/53/504238953.db2.gz AFVSPMMYQQQCLK-XJKSGUPXSA-N 0 3 354.472 3.173 20 5 FGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000548453709 504452018 /nfs/dbraw/zinc/45/20/18/504452018.db2.gz JZEJKYHQEXRROO-CQSZACIVSA-N 0 3 356.426 3.089 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(OCc2cccnc2)cc1 ZINC000539225609 504503111 /nfs/dbraw/zinc/50/31/11/504503111.db2.gz IBNFQFZVBRDDGN-OAHLLOKOSA-N 0 3 367.409 3.116 20 5 FGBDHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363289 504542463 /nfs/dbraw/zinc/54/24/63/504542463.db2.gz JWKSWCRASDZGOH-NVXWUHKLSA-N 0 3 368.437 3.079 20 5 FGBDHN COc1ccc(Cl)cc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761160 504557039 /nfs/dbraw/zinc/55/70/39/504557039.db2.gz JZYLNJHTKQMAFO-UHFFFAOYSA-N 0 3 363.801 3.375 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000520760370 504576206 /nfs/dbraw/zinc/57/62/06/504576206.db2.gz ZHEPSBIGGLLCTA-KFWWJZLASA-N 0 3 365.499 3.455 20 5 FGBDHN CN(CCCn1c(=O)[nH]c2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000549167895 504709710 /nfs/dbraw/zinc/70/97/10/504709710.db2.gz IMYCZKRTHIYJRS-UHFFFAOYSA-N 0 3 354.410 3.215 20 5 FGBDHN CC(C)N1CC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000555986978 504776341 /nfs/dbraw/zinc/77/63/41/504776341.db2.gz FFJXHRHQAZYYGJ-OAHLLOKOSA-N 0 3 363.461 3.141 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000565496388 504904374 /nfs/dbraw/zinc/90/43/74/504904374.db2.gz AQYFHXUFSLXALY-JSGCOSHPSA-N 0 3 351.834 3.255 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC3(CO)Cc4ccccc4C3)o2)c1 ZINC000553790399 505012489 /nfs/dbraw/zinc/01/24/89/505012489.db2.gz UXXKTYREIRBFBN-UHFFFAOYSA-N 0 3 364.401 3.474 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000556915511 505015941 /nfs/dbraw/zinc/01/59/41/505015941.db2.gz RMLUIFQHXUYELS-HOTGVXAUSA-N 0 3 360.458 3.234 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000565966096 505041228 /nfs/dbraw/zinc/04/12/28/505041228.db2.gz PMRZAYBEYVRDFK-AUUYWEPGSA-N 0 3 371.437 3.126 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1cccnc1 ZINC000554240913 505124015 /nfs/dbraw/zinc/12/40/15/505124015.db2.gz AZGDRKVALCUYLC-INIZCTEOSA-N 0 3 368.393 3.125 20 5 FGBDHN CC(C)[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000560638046 505150928 /nfs/dbraw/zinc/15/09/28/505150928.db2.gz DOFXZFJCEAAUDP-SFHVURJKSA-N 0 3 358.442 3.242 20 5 FGBDHN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000554404514 505166375 /nfs/dbraw/zinc/16/63/75/505166375.db2.gz FJWCLRVSRDBHJS-RDTXWAMCSA-N 0 3 356.426 3.085 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)c2cccnc2)c2ccccc2)c1 ZINC000554403772 505166496 /nfs/dbraw/zinc/16/64/96/505166496.db2.gz DLTFRPQKFWIIBA-TZIWHRDSSA-N 0 3 363.417 3.445 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000557603865 505180216 /nfs/dbraw/zinc/18/02/16/505180216.db2.gz CLDZZKRFFOJSPU-HUUCEWRRSA-N 0 3 365.449 3.450 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000554523091 505196174 /nfs/dbraw/zinc/19/61/74/505196174.db2.gz GJCWRMVCMKRPAU-HNAYVOBHSA-N 0 3 370.453 3.394 20 5 FGBDHN COc1cc(OC)c(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1 ZINC000563637381 505199032 /nfs/dbraw/zinc/19/90/32/505199032.db2.gz NFCVIUMBBZWXLD-QGZVFWFLSA-N 0 3 372.421 3.440 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)N1CCCCC1 ZINC000557747949 505219870 /nfs/dbraw/zinc/21/98/70/505219870.db2.gz DTKIXQKVIHAROR-UHFFFAOYSA-N 0 3 362.474 3.043 20 5 FGBDHN Cc1ccc(C[C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000563865031 505261653 /nfs/dbraw/zinc/26/16/53/505261653.db2.gz SGDRXCPJJPHPKV-GOSISDBHSA-N 0 3 355.438 3.020 20 5 FGBDHN C[C@H](CO)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564321550 505384075 /nfs/dbraw/zinc/38/40/75/505384075.db2.gz XCMUMZVICNBLLY-OAHLLOKOSA-N 0 3 366.421 3.260 20 5 FGBDHN CCc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000564434819 505419718 /nfs/dbraw/zinc/41/97/18/505419718.db2.gz GHWMSZFPGVNAOD-SFHVURJKSA-N 0 3 371.437 3.199 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(C)CC1 ZINC000555564429 505458610 /nfs/dbraw/zinc/45/86/10/505458610.db2.gz JVFPPHZMQPUVQB-GFCCVEGCSA-N 0 3 373.375 3.464 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596658072 506514356 /nfs/dbraw/zinc/51/43/56/506514356.db2.gz PLGZLHQYHNANDK-KRWDZBQOSA-N 0 3 362.474 3.388 20 5 FGBDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583035368 506554608 /nfs/dbraw/zinc/55/46/08/506554608.db2.gz SYNWDMMBDMOTRD-GJYPPUQNSA-N 0 3 356.426 3.479 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000599656789 506557376 /nfs/dbraw/zinc/55/73/76/506557376.db2.gz IVUVXSBYMMJKSL-KZNAEPCWSA-N 0 3 362.426 3.027 20 5 FGBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000603732328 506604958 /nfs/dbraw/zinc/60/49/58/506604958.db2.gz NNYSMRUYXSFFOL-UHFFFAOYSA-N 0 3 355.394 3.213 20 5 FGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@H](C)C1 ZINC000599830481 506663275 /nfs/dbraw/zinc/66/32/75/506663275.db2.gz JENACXIVRIUSLI-UONOGXRCSA-N 0 3 371.441 3.385 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830923 506663909 /nfs/dbraw/zinc/66/39/09/506663909.db2.gz ZNMVVAKCDNQNCH-ZIAGYGMSSA-N 0 3 371.441 3.385 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000583259043 506681432 /nfs/dbraw/zinc/68/14/32/506681432.db2.gz ZIPXIYRKQPZEJZ-ICSRJNTNSA-N 0 3 356.422 3.140 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc4ccncc4s3)C2)nc1 ZINC000597013384 506731034 /nfs/dbraw/zinc/73/10/34/506731034.db2.gz JIWQENQWINXQRI-ZDUSSCGKSA-N 0 3 355.423 3.286 20 5 FGBDHN CN(C)CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000583373769 506745257 /nfs/dbraw/zinc/74/52/57/506745257.db2.gz WDJAQIVDPKCBNU-UHFFFAOYSA-N 0 3 363.364 3.010 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN1CCCCC1 ZINC000593883567 506819020 /nfs/dbraw/zinc/81/90/20/506819020.db2.gz OPJSANLEJBIETF-CQSZACIVSA-N 0 3 351.472 3.020 20 5 FGBDHN COCCOc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000583544914 506838251 /nfs/dbraw/zinc/83/82/51/506838251.db2.gz PKLXAAYWHHNCKX-MSOLQXFVSA-N 0 3 374.441 3.090 20 5 FGBDHN CCN(CC)Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)o1 ZINC000612969276 506843310 /nfs/dbraw/zinc/84/33/10/506843310.db2.gz QTXIUFBBRIDARN-UHFFFAOYSA-N 0 3 357.370 3.065 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@@H]4COC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232378 506850113 /nfs/dbraw/zinc/85/01/13/506850113.db2.gz UIPINGAZPDKKHB-ZIAGYGMSSA-N 0 3 358.394 3.332 20 5 FGBDHN O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600229129 506861229 /nfs/dbraw/zinc/86/12/29/506861229.db2.gz PVVRVXFOHWQGKW-OAHLLOKOSA-N 0 3 363.483 3.210 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000604528321 506861730 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3.129 20 5 FGBDHN CC(C)(C(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594195089 507000204 /nfs/dbraw/zinc/00/02/04/507000204.db2.gz BXAIJRWNIRFIHI-DLBZAZTESA-N 0 3 363.433 3.145 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594198088 507001415 /nfs/dbraw/zinc/00/14/15/507001415.db2.gz ROOVERPHZSQYIH-UONOGXRCSA-N 0 3 371.359 3.360 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609876691 507035547 /nfs/dbraw/zinc/03/55/47/507035547.db2.gz DVLYXRRHXQDSNU-OCCSQVGLSA-N 0 3 369.849 3.006 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916495 507049186 /nfs/dbraw/zinc/04/91/86/507049186.db2.gz UMLDKHSQPHQJCW-QFBILLFUSA-N 0 3 374.412 3.038 20 5 FGBDHN CCOC(=O)c1ccnc(NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000609962438 507054556 /nfs/dbraw/zinc/05/45/56/507054556.db2.gz ZXXYFMGJRVGJAQ-INIZCTEOSA-N 0 3 372.425 3.190 20 5 FGBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC000597716998 507072490 /nfs/dbraw/zinc/07/24/90/507072490.db2.gz VPETYWDATJEMSV-FQEVSTJZSA-N 0 3 359.470 3.450 20 5 FGBDHN CC(C)(NC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000594363004 507093888 /nfs/dbraw/zinc/09/38/88/507093888.db2.gz DRVNIOZZEKAPSQ-KRWDZBQOSA-N 0 3 367.449 3.468 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597858111 507136564 /nfs/dbraw/zinc/13/65/64/507136564.db2.gz JQSCEZKZICMMJR-DGCLKSJQSA-N 0 3 369.849 3.005 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591182676 507145840 /nfs/dbraw/zinc/14/58/40/507145840.db2.gz TXZILXGCOYKTCC-UHFFFAOYSA-N 0 3 357.439 3.168 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H]2C[C@H](F)CN2)ccc1Oc1ccc(F)cc1 ZINC000591281654 507184359 /nfs/dbraw/zinc/18/43/59/507184359.db2.gz IVCCYWZSVSPMCD-GJZGRUSLSA-N 0 3 363.364 3.316 20 5 FGBDHN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598043235 507230683 /nfs/dbraw/zinc/23/06/83/507230683.db2.gz SDIYMFCOMATMAC-ZFWWWQNUSA-N 0 3 351.472 3.018 20 5 FGBDHN CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(CC)C1 ZINC000598044205 507230759 /nfs/dbraw/zinc/23/07/59/507230759.db2.gz ZTOIXKMHWBPQCQ-HNNXBMFYSA-N 0 3 374.466 3.275 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1nc3ccccc3s1)OCCO2 ZINC000610432205 507236521 /nfs/dbraw/zinc/23/65/21/507236521.db2.gz UOJVXSMVMNMCTN-UHFFFAOYSA-N 0 3 371.418 3.308 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(Cl)c(Cl)c2)c1 ZINC000594732773 507260038 /nfs/dbraw/zinc/26/00/38/507260038.db2.gz NFRZIHKXDGIHSN-CYBMUJFWSA-N 0 3 371.220 3.431 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000584312659 507271903 /nfs/dbraw/zinc/27/19/03/507271903.db2.gz HIAULTQXZGVMJZ-CQSZACIVSA-N 0 3 351.838 3.488 20 5 FGBDHN Nc1c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610521059 507276488 /nfs/dbraw/zinc/27/64/88/507276488.db2.gz AZSSHEVNCIKHOO-QGZVFWFLSA-N 0 3 368.437 3.134 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598262849 507348434 /nfs/dbraw/zinc/34/84/34/507348434.db2.gz MRYZACMCCCWNHY-LBPRGKRZSA-N 0 3 371.384 3.046 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598265472 507350057 /nfs/dbraw/zinc/35/00/57/507350057.db2.gz TXBHZJYGXYKCDN-ZDUSSCGKSA-N 0 3 353.850 3.027 20 5 FGBDHN COCc1csc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000595079308 507382355 /nfs/dbraw/zinc/38/23/55/507382355.db2.gz VXNWPXMLYBTZDP-GJZGRUSLSA-N 0 3 350.444 3.273 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595079911 507382533 /nfs/dbraw/zinc/38/25/33/507382533.db2.gz HPJJGUBJDKUTAK-DHSIGJKJSA-N 0 3 358.442 3.399 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](CO)Cc3ccco3)o2)c1 ZINC000610871128 507424235 /nfs/dbraw/zinc/42/42/35/507424235.db2.gz HFERKSJYWBLSFO-CQSZACIVSA-N 0 3 356.378 3.389 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2cccc(F)c2)CCC1 ZINC000592144280 507507068 /nfs/dbraw/zinc/50/70/68/507507068.db2.gz BKGXJTCPRLTTSH-INIZCTEOSA-N 0 3 360.385 3.143 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595477649 507520613 /nfs/dbraw/zinc/52/06/13/507520613.db2.gz RQEWMMDKUIPOLL-GUYCJALGSA-N 0 3 360.385 3.244 20 5 FGBDHN COc1ccc(F)c(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000598677627 507549456 /nfs/dbraw/zinc/54/94/56/507549456.db2.gz QMBWFKICBVCBRW-GFCCVEGCSA-N 0 3 361.373 3.249 20 5 FGBDHN CCn1cnnc1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611520935 507719997 /nfs/dbraw/zinc/71/99/97/507719997.db2.gz SWJHSGRZIVOJJT-LJQANCHMSA-N 0 3 351.410 3.128 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602551584 507746266 /nfs/dbraw/zinc/74/62/66/507746266.db2.gz PVNBSHDXLCQKPS-UHFFFAOYSA-N 0 3 373.434 3.441 20 5 FGBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592693965 507766751 /nfs/dbraw/zinc/76/67/51/507766751.db2.gz FORGTHAZQCSALF-QGZVFWFLSA-N 0 3 370.453 3.058 20 5 FGBDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419355 599376854 /nfs/dbraw/zinc/37/68/54/599376854.db2.gz GMHVNOLKTHLVSU-AWEZNQCLSA-N 0 3 366.425 3.448 20 5 FGBDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419355 599376858 /nfs/dbraw/zinc/37/68/58/599376858.db2.gz GMHVNOLKTHLVSU-AWEZNQCLSA-N 0 3 366.425 3.448 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(CCCc3ccc(Cl)cc3)CC2)cn1 ZINC000524894300 714308739 /nfs/dbraw/zinc/30/87/39/714308739.db2.gz HSRNTFPRXHTWNT-UHFFFAOYSA-N 0 3 360.845 3.398 20 5 FGBDHN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1cccn1 ZINC000575014334 714455521 /nfs/dbraw/zinc/45/55/21/714455521.db2.gz VVYPAHBGFRFWDQ-CYBMUJFWSA-N 0 3 357.439 3.341 20 5 FGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000779152806 724395830 /nfs/dbraw/zinc/39/58/30/724395830.db2.gz GNOPTGUDWJMHGC-SWLSCSKDSA-N 0 3 357.248 3.340 20 5 FGBDHN CNC(=O)C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCC1 ZINC000779176937 724397727 /nfs/dbraw/zinc/39/77/27/724397727.db2.gz VAKFORNVTPQSOY-UHFFFAOYSA-N 0 3 359.451 3.472 20 5 FGBDHN CC[C@](C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000784264615 724837370 /nfs/dbraw/zinc/83/73/70/724837370.db2.gz AIWIRDZLASQVFX-SFHVURJKSA-N 0 3 362.451 3.284 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809923162 725276345 /nfs/dbraw/zinc/27/63/45/725276345.db2.gz XQKFWMWYPMPONP-CYBMUJFWSA-N 0 3 354.838 3.490 20 5 FGBDHN CC(COC(=O)c1cc(Br)cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813115416 726840832 /nfs/dbraw/zinc/84/08/32/726840832.db2.gz RGGGWENILIGVBP-ZCFIWIBFSA-N 0 3 356.094 3.290 20 5 FGBDHN Cc1ccc(CNC[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000825339052 729379367 /nfs/dbraw/zinc/37/93/67/729379367.db2.gz ZHBFANCTTNONCS-INIZCTEOSA-N 0 3 365.227 3.489 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000838186008 730098092 /nfs/dbraw/zinc/09/80/92/730098092.db2.gz LYCHPZVJGARZTR-UHFFFAOYSA-N 0 3 369.393 3.139 20 5 FGBDHN COCc1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845873113 730904864 /nfs/dbraw/zinc/90/48/64/730904864.db2.gz BNQAGPLNFCFRBC-QMTHXVAHSA-N 0 3 368.386 3.300 20 5 FGBDHN CC([C@@H](OC(=O)C(F)(F)C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875681 730905152 /nfs/dbraw/zinc/90/51/52/730905152.db2.gz BDVHOEQOLGOYFQ-QMTHXVAHSA-N 0 3 361.316 3.137 20 5 FGBDHN Cc1csc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845878636 730905408 /nfs/dbraw/zinc/90/54/08/730905408.db2.gz HWVWVGUGKHOUPI-BDJLRTHQSA-N 0 3 352.387 3.473 20 5 FGBDHN COC1CCN(C(C)(C)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872036653 735580071 /nfs/dbraw/zinc/58/00/71/735580071.db2.gz UODZLUNAXYXJCK-CYBMUJFWSA-N 0 3 353.438 3.274 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874831836 735936842 /nfs/dbraw/zinc/93/68/42/735936842.db2.gz BBOIVNIHHNJZFN-JKSUJKDBSA-N 0 3 363.483 3.406 20 5 FGBDHN O=C(CNC1([C@@H]2CCCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879734191 737039247 /nfs/dbraw/zinc/03/92/47/737039247.db2.gz IXXQREJRAJHIDL-HNNXBMFYSA-N 0 3 367.833 3.268 20 5 FGBDHN COC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886915492 739314925 /nfs/dbraw/zinc/31/49/25/739314925.db2.gz FJOMRYKZYBYYIY-QMTHXVAHSA-N 0 3 363.241 3.433 20 5 FGBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000886916550 739315172 /nfs/dbraw/zinc/31/51/72/739315172.db2.gz WSRPGXUIDYNGGG-IAQYHMDHSA-N 0 3 362.348 3.145 20 5 FGBDHN COc1c([O-])ccc(C[NH2+]CCCCc2nc(C)cs2)c1[N+](=O)[O-] ZINC000892857825 740051671 /nfs/dbraw/zinc/05/16/71/740051671.db2.gz KTNCMGRBILHVFP-UHFFFAOYSA-N 0 3 351.428 3.186 20 5 FGBDHN COc1cc(CNCC[C@H]2CCC3(CCC3)O2)c([N+](=O)[O-])cc1OC ZINC000922967129 759041905 /nfs/dbraw/zinc/04/19/05/759041905.db2.gz DNTHRMMQLDLHMK-CQSZACIVSA-N 0 3 350.415 3.193 20 5 FGBDHN CN(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000579744604 505611650 /nfs/dbraw/zinc/61/16/50/505611650.db2.gz DJBVZLVGANJFFQ-ZDUSSCGKSA-N 0 3 361.402 3.453 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000579792235 505622585 /nfs/dbraw/zinc/62/25/85/505622585.db2.gz RGYAQAWVDANGOP-UHFFFAOYSA-N 0 3 364.446 3.332 20 5 FGBDHN COc1ccc2c(c1)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000573835401 505631860 /nfs/dbraw/zinc/63/18/60/505631860.db2.gz ZWIAHKHYDGUBRR-HNNXBMFYSA-N 0 3 371.393 3.045 20 5 FGBDHN CC(C)N1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000579969215 505654762 /nfs/dbraw/zinc/65/47/62/505654762.db2.gz PCXNQHLPYUQIGT-UHFFFAOYSA-N 0 3 370.457 3.109 20 5 FGBDHN CN(C)[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000057838759 493805945 /nfs/dbraw/zinc/80/59/45/493805945.db2.gz VMVQOZGTRVSOPF-KRWDZBQOSA-N 0 3 353.422 3.356 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)CC12CCCCC2 ZINC000081597487 493925291 /nfs/dbraw/zinc/92/52/91/493925291.db2.gz PBEDVZYMFXFQDU-UHFFFAOYSA-N 0 3 374.485 3.182 20 5 FGBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051469705 493972817 /nfs/dbraw/zinc/97/28/17/493972817.db2.gz SAPRVRGZTWQRLK-HNNXBMFYSA-N 0 3 374.466 3.275 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808823 493974798 /nfs/dbraw/zinc/97/47/98/493974798.db2.gz OWCJRRPKOYWLMK-MLGOLLRUSA-N 0 3 357.385 3.211 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](OCCC(C)C)C1 ZINC000083246768 494014409 /nfs/dbraw/zinc/01/44/09/494014409.db2.gz LTTTYJSBIMAMLW-QGZVFWFLSA-N 0 3 363.458 3.369 20 5 FGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCCC[C@@H]1C ZINC000064724838 494144984 /nfs/dbraw/zinc/14/49/84/494144984.db2.gz JQBXOZPBAODRKS-STQMWFEESA-N 0 3 369.849 3.006 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087168850 494179018 /nfs/dbraw/zinc/17/90/18/494179018.db2.gz JYIKBTFSRGKEKX-APWZRJJASA-N 0 3 367.449 3.479 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000054281565 494215549 /nfs/dbraw/zinc/21/55/49/494215549.db2.gz FYGKKOCEDWYMDY-HNNXBMFYSA-N 0 3 373.478 3.324 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000088250441 494220835 /nfs/dbraw/zinc/22/08/35/494220835.db2.gz QVKZFGGIAMDOIA-UHFFFAOYSA-N 0 3 351.790 3.045 20 5 FGBDHN CC[C@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000072713351 494237076 /nfs/dbraw/zinc/23/70/76/494237076.db2.gz RZMQLGPPRZQYDJ-MRXNPFEDSA-N 0 3 360.410 3.043 20 5 FGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065937174 494258399 /nfs/dbraw/zinc/25/83/99/494258399.db2.gz APBKAYNWTGTYNW-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000043341522 494289420 /nfs/dbraw/zinc/28/94/20/494289420.db2.gz QKLOFKHTUSBZMO-RYUDHWBXSA-N 0 3 354.838 3.490 20 5 FGBDHN Nc1nc(SCc2cccc(CN3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000571346152 505711266 /nfs/dbraw/zinc/71/12/66/505711266.db2.gz ZQUJRZFUJYWVMM-UHFFFAOYSA-N 0 3 359.455 3.076 20 5 FGBDHN COc1cc(F)c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000089580622 494326133 /nfs/dbraw/zinc/32/61/33/494326133.db2.gz AHJPEZDYLVHYOC-GFCCVEGCSA-N 0 3 364.373 3.481 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000073432739 494370832 /nfs/dbraw/zinc/37/08/32/494370832.db2.gz XOHNKTWATFJLNW-MRXNPFEDSA-N 0 3 355.442 3.292 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000045814595 494465665 /nfs/dbraw/zinc/46/56/65/494465665.db2.gz XOAATJNSDAREOH-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000067753663 494634236 /nfs/dbraw/zinc/63/42/36/494634236.db2.gz RGOXAZSNTBOCJT-ZBFHGGJFSA-N 0 3 369.421 3.169 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCCC[C@@H]3CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000092588724 494680112 /nfs/dbraw/zinc/68/01/12/494680112.db2.gz KIQWIGBJFYSXCM-CYBMUJFWSA-N 0 3 373.409 3.093 20 5 FGBDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000091992976 494747079 /nfs/dbraw/zinc/74/70/79/494747079.db2.gz MDPDPNFXXAJTKM-KRWDZBQOSA-N 0 3 372.425 3.410 20 5 FGBDHN CC[C@H](c1ccncc1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000092225136 494814704 /nfs/dbraw/zinc/81/47/04/494814704.db2.gz CWOJATBOFOZLPO-MRXNPFEDSA-N 0 3 370.409 3.371 20 5 FGBDHN CN(Cc1cccc(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712430 494834492 /nfs/dbraw/zinc/83/44/92/494834492.db2.gz IIDSVOGKKNWMCL-MRXNPFEDSA-N 0 3 350.802 3.120 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000126844001 494848965 /nfs/dbraw/zinc/84/89/65/494848965.db2.gz NOBIBKPQMOEVNL-UHFFFAOYSA-N 0 3 360.439 3.040 20 5 FGBDHN CCc1nn(C)c(N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094153524 494954955 /nfs/dbraw/zinc/95/49/55/494954955.db2.gz MUHPJUYPSOERIN-UHFFFAOYSA-N 0 3 371.485 3.036 20 5 FGBDHN Cc1c(CC(=O)NC(C)(C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000133276302 494993774 /nfs/dbraw/zinc/99/37/74/494993774.db2.gz APGREGHLJVKIIK-UHFFFAOYSA-N 0 3 369.465 3.473 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000133539820 495025635 /nfs/dbraw/zinc/02/56/35/495025635.db2.gz XXDIPRUIUYAXMJ-GOSISDBHSA-N 0 3 371.437 3.416 20 5 FGBDHN COc1ccc(-c2ccc(CNCC[C@@H](C)[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000133676044 495045173 /nfs/dbraw/zinc/04/51/73/495045173.db2.gz WMTPSXHDKCJTGY-XELLLNAOSA-N 0 3 366.439 3.110 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000133695049 495047542 /nfs/dbraw/zinc/04/75/42/495047542.db2.gz XKXJRDPMLFOBRQ-SJORKVTESA-N 0 3 369.421 3.468 20 5 FGBDHN CC[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000133743086 495054952 /nfs/dbraw/zinc/05/49/52/495054952.db2.gz VZNCRFMUEXQNSS-KSSFIOAISA-N 0 3 366.364 3.354 20 5 FGBDHN O=C(CN[C@@H]1CCC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000133817001 495066057 /nfs/dbraw/zinc/06/60/57/495066057.db2.gz FIYBHPQVJBHLCW-RTBURBONSA-N 0 3 365.433 3.410 20 5 FGBDHN COCCN(C)CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000134199191 495120937 /nfs/dbraw/zinc/12/09/37/495120937.db2.gz RLJIKOUMCRHNSB-QGZVFWFLSA-N 0 3 358.442 3.420 20 5 FGBDHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000571586598 505767196 /nfs/dbraw/zinc/76/71/96/505767196.db2.gz RKMOYYCATUSQOI-KDOFPFPSSA-N 0 3 362.426 3.102 20 5 FGBDHN COc1ccc([C@H](CO)N(C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000112996054 495265082 /nfs/dbraw/zinc/26/50/82/495265082.db2.gz WQPCVBCEZDBHKR-IBGZPJMESA-N 0 3 360.410 3.038 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(CC4CC4)C3)cs2)c1 ZINC000113339994 495298073 /nfs/dbraw/zinc/29/80/73/495298073.db2.gz ISDXTFHAACFHJL-OAHLLOKOSA-N 0 3 358.467 3.292 20 5 FGBDHN COCCOC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000124832634 495350806 /nfs/dbraw/zinc/35/08/06/495350806.db2.gz IEUGILGJWPAAMK-UHFFFAOYSA-N 0 3 360.410 3.482 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNC2(CO)CC2)cc1 ZINC000120398175 495368531 /nfs/dbraw/zinc/36/85/31/495368531.db2.gz IHHDUKCXXSKYIC-UHFFFAOYSA-N 0 3 364.405 3.062 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccncc1 ZINC000125353081 495431040 /nfs/dbraw/zinc/43/10/40/495431040.db2.gz VNHHVYPNRYUUPL-GOSISDBHSA-N 0 3 354.410 3.464 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](CN4CCOCC4)C3)o2)c1 ZINC000131004835 495478149 /nfs/dbraw/zinc/47/81/49/495478149.db2.gz CDNWASAZFGSDGT-MRXNPFEDSA-N 0 3 371.437 3.009 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000125828317 495504844 /nfs/dbraw/zinc/50/48/44/495504844.db2.gz IPLUALVWCXTQOR-LLVKDONJSA-N 0 3 372.372 3.192 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000154212666 495546326 /nfs/dbraw/zinc/54/63/26/495546326.db2.gz VUVPJRWBPCEMIB-ZFWWWQNUSA-N 0 3 374.416 3.457 20 5 FGBDHN COC(=O)c1ccccc1OCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182444284 495566461 /nfs/dbraw/zinc/56/64/61/495566461.db2.gz BCTGQMOHOMJLOY-AWEZNQCLSA-N 0 3 358.394 3.419 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000577793752 505793613 /nfs/dbraw/zinc/79/36/13/505793613.db2.gz WEOYPWRZKRQRAN-HNNXBMFYSA-N 0 3 357.458 3.220 20 5 FGBDHN O=C1CCCN1C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179562804 495642081 /nfs/dbraw/zinc/64/20/81/495642081.db2.gz NHZZMTIQIHZIQH-IBGZPJMESA-N 0 3 353.422 3.091 20 5 FGBDHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000176422021 495646591 /nfs/dbraw/zinc/64/65/91/495646591.db2.gz HILYKVCUJGLRPR-YOEHRIQHSA-N 0 3 361.467 3.380 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173777599 495689113 /nfs/dbraw/zinc/68/91/13/495689113.db2.gz XKEFVEOIKYLWST-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000150977602 495699959 /nfs/dbraw/zinc/69/99/59/495699959.db2.gz RYHVNZSJCIKAHI-GOSISDBHSA-N 0 3 359.401 3.004 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183004636 495795655 /nfs/dbraw/zinc/79/56/55/495795655.db2.gz QDUBYNAWLYGRIV-LBPRGKRZSA-N 0 3 371.890 3.141 20 5 FGBDHN C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000155024223 495807852 /nfs/dbraw/zinc/80/78/52/495807852.db2.gz BDNVXBBVLZZYDM-MGPUTAFESA-N 0 3 373.428 3.458 20 5 FGBDHN COCCN1CCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417437 495988693 /nfs/dbraw/zinc/98/86/93/495988693.db2.gz OCWDQURQZFJXKL-SFTDATJTSA-N 0 3 369.465 3.385 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000183499090 496011079 /nfs/dbraw/zinc/01/10/79/496011079.db2.gz VOPLGXGOHSATHI-CMPLNLGQSA-N 0 3 369.874 3.082 20 5 FGBDHN COC(=O)c1cc(C(=O)Nc2cc(CN(C)C)ccc2C)cc([N+](=O)[O-])c1 ZINC000177338812 496023703 /nfs/dbraw/zinc/02/37/03/496023703.db2.gz YNNSFJCSMBYKNL-UHFFFAOYSA-N 0 3 371.393 3.004 20 5 FGBDHN Cc1nccn1-c1ccc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183676128 496073808 /nfs/dbraw/zinc/07/38/08/496073808.db2.gz QAMMMBBRPWXAHO-JLTOFOAXSA-N 0 3 366.421 3.473 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000155817273 496078089 /nfs/dbraw/zinc/07/80/89/496078089.db2.gz GHYXJSIIZQAYAY-MRXNPFEDSA-N 0 3 351.410 3.060 20 5 FGBDHN CCOc1cccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000180698961 496109109 /nfs/dbraw/zinc/10/91/09/496109109.db2.gz CTZLCKKXVKRMBA-YOEHRIQHSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000180720346 496117826 /nfs/dbraw/zinc/11/78/26/496117826.db2.gz NPBQJXIQPLZMLV-CQSZACIVSA-N 0 3 371.393 3.281 20 5 FGBDHN CC[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180790792 496148299 /nfs/dbraw/zinc/14/82/99/496148299.db2.gz MLJCTVYDPQEJRM-MRXNPFEDSA-N 0 3 363.364 3.344 20 5 FGBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161673688 496219713 /nfs/dbraw/zinc/21/97/13/496219713.db2.gz DKGZJKFHGBLUPW-HNNXBMFYSA-N 0 3 373.409 3.020 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000181131325 496282536 /nfs/dbraw/zinc/28/25/36/496282536.db2.gz RUDJMPIXMFFQED-GFCCVEGCSA-N 0 3 351.472 3.308 20 5 FGBDHN CCC[C@@H](NCc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000178053267 496306624 /nfs/dbraw/zinc/30/66/24/496306624.db2.gz XXTOHDYJNOUYCJ-QGZVFWFLSA-N 0 3 352.398 3.202 20 5 FGBDHN C[C@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000162381593 496344962 /nfs/dbraw/zinc/34/49/62/496344962.db2.gz OTBBLMLAQZMAKT-HXUWFJFHSA-N 0 3 353.422 3.379 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccsc1 ZINC000178165863 496353410 /nfs/dbraw/zinc/35/34/10/496353410.db2.gz SFPLWDKDHPDISN-HNNXBMFYSA-N 0 3 362.455 3.051 20 5 FGBDHN Cc1cc(N2CCN(CC3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181505477 496423768 /nfs/dbraw/zinc/42/37/68/496423768.db2.gz WWFBEFKQPVXICJ-UHFFFAOYSA-N 0 3 370.453 3.000 20 5 FGBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000157275595 496443829 /nfs/dbraw/zinc/44/38/29/496443829.db2.gz SNMJYRXSTDHMCJ-UHFFFAOYSA-N 0 3 371.437 3.067 20 5 FGBDHN CCOc1ccc([C@H](C)NCCNC(=O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000153474128 496466553 /nfs/dbraw/zinc/46/65/53/496466553.db2.gz MSQHEEYAERFBCU-AWEZNQCLSA-N 0 3 363.458 3.341 20 5 FGBDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184731150 496509885 /nfs/dbraw/zinc/50/98/85/496509885.db2.gz SMNUTVRIJPLUQD-ZDUSSCGKSA-N 0 3 356.854 3.024 20 5 FGBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000163534937 496528905 /nfs/dbraw/zinc/52/89/05/496528905.db2.gz QVEGKDWZUFUUST-UHFFFAOYSA-N 0 3 355.438 3.036 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000181780518 496541694 /nfs/dbraw/zinc/54/16/94/496541694.db2.gz XFGKUJDXFVFNRV-CQSZACIVSA-N 0 3 371.437 3.498 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000173087823 496544818 /nfs/dbraw/zinc/54/48/18/496544818.db2.gz NIFGBRKLUXWGAL-KRWDZBQOSA-N 0 3 361.467 3.398 20 5 FGBDHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000153699170 496550085 /nfs/dbraw/zinc/55/00/85/496550085.db2.gz DPEPJIDRRGJPCQ-ROUUACIJSA-N 0 3 372.421 3.483 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163951738 496573110 /nfs/dbraw/zinc/57/31/10/496573110.db2.gz UZCJFEMGVDBWNT-MRXNPFEDSA-N 0 3 355.438 3.278 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173335275 496648487 /nfs/dbraw/zinc/64/84/87/496648487.db2.gz OZFVMFCXQRUFDI-QGZVFWFLSA-N 0 3 368.481 3.193 20 5 FGBDHN CC(C)Sc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182110918 496673019 /nfs/dbraw/zinc/67/30/19/496673019.db2.gz DIAXWNNKEDXRJR-BBRMVZONSA-N 0 3 364.471 3.004 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185302519 496726581 /nfs/dbraw/zinc/72/65/81/496726581.db2.gz DROXRQFAFOIHJP-HXUWFJFHSA-N 0 3 367.449 3.164 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1CN1CCCCC1 ZINC000273362179 496784519 /nfs/dbraw/zinc/78/45/19/496784519.db2.gz FIHIZOWMXUQKJU-AWEZNQCLSA-N 0 3 350.394 3.216 20 5 FGBDHN COc1cc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000191719998 496867269 /nfs/dbraw/zinc/86/72/69/496867269.db2.gz UEAXTGQHMDFTCI-UHFFFAOYSA-N 0 3 363.458 3.104 20 5 FGBDHN Cc1cc(N2CCC[C@@H](NCc3cc(Cl)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277813736 496897787 /nfs/dbraw/zinc/89/77/87/496897787.db2.gz ZEOGKZJCLIGFSS-OAHLLOKOSA-N 0 3 363.849 3.049 20 5 FGBDHN CC1(C)CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000191849504 496909768 /nfs/dbraw/zinc/90/97/68/496909768.db2.gz UQVVZCFIXLXBSI-CYBMUJFWSA-N 0 3 370.247 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(CC(F)(F)F)CC2)c1 ZINC000264529591 496921358 /nfs/dbraw/zinc/92/13/58/496921358.db2.gz HLCPTJGDUHYVLJ-UHFFFAOYSA-N 0 3 351.756 3.365 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(CC(F)(F)F)CC1 ZINC000264536984 496922639 /nfs/dbraw/zinc/92/26/39/496922639.db2.gz MRJDDFVVBUNIIJ-UHFFFAOYSA-N 0 3 361.364 3.110 20 5 FGBDHN Cc1ccc(C[C@@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000188985300 496969298 /nfs/dbraw/zinc/96/92/98/496969298.db2.gz FMAHEQLOGVHXOH-HNNXBMFYSA-N 0 3 366.364 3.198 20 5 FGBDHN COc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373154 496986040 /nfs/dbraw/zinc/98/60/40/496986040.db2.gz GUCBFYAPJYIWPU-AEFFLSMTSA-N 0 3 372.421 3.180 20 5 FGBDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476433 497023944 /nfs/dbraw/zinc/02/39/44/497023944.db2.gz YFBUXZPDGXAEKH-WBVHZDCISA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@@H](C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248538447 497033192 /nfs/dbraw/zinc/03/31/92/497033192.db2.gz AKCQRNRKXCMAMC-HZSPNIEDSA-N 0 3 351.422 3.074 20 5 FGBDHN O=C(CCN[C@H]1CCCc2c(O)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000192366158 497091582 /nfs/dbraw/zinc/09/15/82/497091582.db2.gz VFHZFTNQZWLGEA-HNNXBMFYSA-N 0 3 355.394 3.296 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189486001 497133997 /nfs/dbraw/zinc/13/39/97/497133997.db2.gz LBOUKSNZQXPKMK-HOTGVXAUSA-N 0 3 351.472 3.212 20 5 FGBDHN Cc1cc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248997155 497148336 /nfs/dbraw/zinc/14/83/36/497148336.db2.gz GXJPLEWNLCGMRI-AEFFLSMTSA-N 0 3 354.410 3.470 20 5 FGBDHN COc1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189599878 497177507 /nfs/dbraw/zinc/17/75/07/497177507.db2.gz XJNXPLLSHFFXIO-SWLSCSKDSA-N 0 3 362.348 3.177 20 5 FGBDHN COc1cc(CN[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237188804 497201981 /nfs/dbraw/zinc/20/19/81/497201981.db2.gz LFAHUFPNNRZYEU-QGZVFWFLSA-N 0 3 372.421 3.451 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000271429353 497347055 /nfs/dbraw/zinc/34/70/55/497347055.db2.gz AWKRGHWMVYRACF-UCLAIMLFSA-N 0 3 374.437 3.129 20 5 FGBDHN COc1cccc([C@@H](C)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000271622426 497401803 /nfs/dbraw/zinc/40/18/03/497401803.db2.gz DFZFTFYAEOULFN-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@@H](c1ccc(Cl)cc1)N(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000245457173 497416485 /nfs/dbraw/zinc/41/64/85/497416485.db2.gz UFJYUNBLEBASJJ-SJCJKPOMSA-N 0 3 364.833 3.031 20 5 FGBDHN CC(C)(C(=O)Nc1ccc2c(c1F)CCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000261660282 497428666 /nfs/dbraw/zinc/42/86/66/497428666.db2.gz FEIQXMDSZOQOKV-UHFFFAOYSA-N 0 3 357.385 3.296 20 5 FGBDHN CCOc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1[N+](=O)[O-] ZINC000261671674 497430955 /nfs/dbraw/zinc/43/09/55/497430955.db2.gz GKBIDBAESXIPLZ-UHFFFAOYSA-N 0 3 359.357 3.031 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000275801093 497435750 /nfs/dbraw/zinc/43/57/50/497435750.db2.gz LBYSGRIQZHSQFP-OCCSQVGLSA-N 0 3 351.834 3.113 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCNC[C@@H]3c3cccnc3)o2)c1 ZINC000261705159 497437222 /nfs/dbraw/zinc/43/72/22/497437222.db2.gz MABWGJNYEATBGM-LJQANCHMSA-N 0 3 364.405 3.396 20 5 FGBDHN CC(=O)N1CCC[C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000279633013 497493245 /nfs/dbraw/zinc/49/32/45/497493245.db2.gz CBZDQMNZCYSJAO-OAHLLOKOSA-N 0 3 357.410 3.203 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245779811 497535788 /nfs/dbraw/zinc/53/57/88/497535788.db2.gz YRTLGZDQJOJKOX-PXAZEXFGSA-N 0 3 374.466 3.051 20 5 FGBDHN Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)n1 ZINC000272598881 497675785 /nfs/dbraw/zinc/67/57/85/497675785.db2.gz GYTMWVQVLPCHAW-UHFFFAOYSA-N 0 3 368.397 3.031 20 5 FGBDHN COc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273006512 497783607 /nfs/dbraw/zinc/78/36/07/497783607.db2.gz BBQIOEGEDQHGJE-DOTOQJQBSA-N 0 3 372.368 3.252 20 5 FGBDHN COc1cc(CNCC[C@@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000263782286 497815544 /nfs/dbraw/zinc/81/55/44/497815544.db2.gz FTCLXQOOVYAWKG-SNVBAGLBSA-N 0 3 366.336 3.059 20 5 FGBDHN O=C(NCCN1CCCC1)c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000569441381 505936244 /nfs/dbraw/zinc/93/62/44/505936244.db2.gz KITZVHILTOUIJF-UHFFFAOYSA-N 0 3 374.466 3.094 20 5 FGBDHN CCOCCCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299607679 497867020 /nfs/dbraw/zinc/86/70/20/497867020.db2.gz IPUVNUWQNVKZQV-UHFFFAOYSA-N 0 3 366.336 3.061 20 5 FGBDHN CCOC(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)OCC ZINC000299665814 497886445 /nfs/dbraw/zinc/88/64/45/497886445.db2.gz XEJAEUWSFYTUME-UHFFFAOYSA-N 0 3 362.373 3.465 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000292670246 498103650 /nfs/dbraw/zinc/10/36/50/498103650.db2.gz JBJRMFBIHCKSKT-MOPGFXCFSA-N 0 3 356.422 3.122 20 5 FGBDHN Cc1nc(NCC2(N3CCSCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301647503 498204447 /nfs/dbraw/zinc/20/44/47/498204447.db2.gz IMPRBTQUTWUHQY-UHFFFAOYSA-N 0 3 350.488 3.462 20 5 FGBDHN Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000301788950 498264262 /nfs/dbraw/zinc/26/42/62/498264262.db2.gz VYWCJHLOYCYWEM-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN COc1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000569770244 506011865 /nfs/dbraw/zinc/01/18/65/506011865.db2.gz JPYDRRCCEMMCNM-GOSISDBHSA-N 0 3 372.421 3.273 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(C2CCC2)CC1 ZINC000297229046 498366852 /nfs/dbraw/zinc/36/68/52/498366852.db2.gz RJEKADZIVGGIBU-UHFFFAOYSA-N 0 3 351.834 3.303 20 5 FGBDHN O=C(CCN[C@H](c1ccccc1)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000572713984 506034190 /nfs/dbraw/zinc/03/41/90/506034190.db2.gz QWFULBQHNRUJLP-UYAOXDASSA-N 0 3 369.421 3.433 20 5 FGBDHN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000575996874 506052121 /nfs/dbraw/zinc/05/21/21/506052121.db2.gz CWERDLSCKDTYRP-DOXZYTNZSA-N 0 3 353.422 3.435 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000294088027 498584976 /nfs/dbraw/zinc/58/49/76/498584976.db2.gz KBTJENWVIHAOBD-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN Cc1cc(C(=O)N(C)C2CCN(c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000363072572 498636096 /nfs/dbraw/zinc/63/60/96/498636096.db2.gz QFNYHGHZFNBFPV-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303462421 498676669 /nfs/dbraw/zinc/67/66/69/498676669.db2.gz HMVARLLMRZULNI-HNNXBMFYSA-N 0 3 374.466 3.323 20 5 FGBDHN CCc1cc(N2CCC[C@@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)ncn1 ZINC000579024457 506077046 /nfs/dbraw/zinc/07/70/46/506077046.db2.gz ONNMFUBOHWTOCP-QAPCUYQASA-N 0 3 367.453 3.193 20 5 FGBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000576100790 506077190 /nfs/dbraw/zinc/07/71/90/506077190.db2.gz DHMXUGVDZAUQAX-UHFFFAOYSA-N 0 3 354.472 3.175 20 5 FGBDHN Cc1cnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000312091297 498755801 /nfs/dbraw/zinc/75/58/01/498755801.db2.gz ZMVOYSMFIIWHMA-QZTJIDSGSA-N 0 3 352.438 3.257 20 5 FGBDHN CN(C)CCOc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172574 506093827 /nfs/dbraw/zinc/09/38/27/506093827.db2.gz QDHQKIBPGPILMS-GOSISDBHSA-N 0 3 355.438 3.312 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266659 498868663 /nfs/dbraw/zinc/86/86/63/498868663.db2.gz DNGBTEYGMGMYLU-IINYFYTJSA-N 0 3 372.252 3.458 20 5 FGBDHN CO[C@@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(Cl)cc1 ZINC000366995223 499131357 /nfs/dbraw/zinc/13/13/57/499131357.db2.gz KGKRUHIDCWZOTJ-INIZCTEOSA-N 0 3 364.833 3.469 20 5 FGBDHN C[C@H](NC1(C2CC2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000367024519 499135675 /nfs/dbraw/zinc/13/56/75/499135675.db2.gz ZBLUBFOXHPZRTC-LBPRGKRZSA-N 0 3 358.398 3.255 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000579302478 506140273 /nfs/dbraw/zinc/14/02/73/506140273.db2.gz IIPUJWOIYPYNSO-OAHLLOKOSA-N 0 3 373.428 3.428 20 5 FGBDHN Cn1cc(-c2ccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)s2)cn1 ZINC000368540311 499305800 /nfs/dbraw/zinc/30/58/00/499305800.db2.gz SLCZLSMPWMWDHF-UHFFFAOYSA-N 0 3 372.454 3.090 20 5 FGBDHN CCN1CCC(N(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000371807337 499367267 /nfs/dbraw/zinc/36/72/67/499367267.db2.gz AHFOIRQNSLNSKI-CCEZHUSRSA-N 0 3 357.454 3.473 20 5 FGBDHN Cc1nc2c(s1)CCC[C@@H]2CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369540733 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3 353.426 3.021 20 5 FGBDHN CCC[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376519212 499614750 /nfs/dbraw/zinc/61/47/50/499614750.db2.gz IFFOYGFMWCZYRE-ZWKOTPCHSA-N 0 3 358.442 3.292 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000409720899 499617469 /nfs/dbraw/zinc/61/74/69/499617469.db2.gz FOVLYBGNSOGCCV-UHFFFAOYSA-N 0 3 373.428 3.371 20 5 FGBDHN CCOc1ccc(C(=O)N2CC[C@@H](N)c3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000377080194 499660229 /nfs/dbraw/zinc/66/02/29/499660229.db2.gz TWYVJDCMDWPOIQ-OAHLLOKOSA-N 0 3 371.393 3.052 20 5 FGBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]1CN1CCCC1 ZINC000377869099 499743725 /nfs/dbraw/zinc/74/37/25/499743725.db2.gz NYRAGYJEQVJNSC-LBPRGKRZSA-N 0 3 352.822 3.340 20 5 FGBDHN CC(C)(NCCC(=O)NC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000411752543 499786454 /nfs/dbraw/zinc/78/64/54/499786454.db2.gz AYGKJTTUYIXWOG-UHFFFAOYSA-N 0 3 370.409 3.158 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414402174 499787078 /nfs/dbraw/zinc/78/70/78/499787078.db2.gz FSLCLHWIPQIYAD-UHFFFAOYSA-N 0 3 374.397 3.188 20 5 FGBDHN COc1cc(CN[C@@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414496513 499799456 /nfs/dbraw/zinc/79/94/56/499799456.db2.gz IMGKGELCKBWEQJ-ONGXEEELSA-N 0 3 362.398 3.231 20 5 FGBDHN CC(C)(CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(C)(=O)=O ZINC000414520096 499802248 /nfs/dbraw/zinc/80/22/48/499802248.db2.gz ZBAOFQRXSXBQAZ-UHFFFAOYSA-N 0 3 366.439 3.158 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412199037 499833052 /nfs/dbraw/zinc/83/30/52/499833052.db2.gz GTPRCCYKPUHZFC-UHFFFAOYSA-N 0 3 351.447 3.042 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)cc2F)c1 ZINC000412558107 499863197 /nfs/dbraw/zinc/86/31/97/499863197.db2.gz KIYOVHDBQMQJCM-UHFFFAOYSA-N 0 3 361.373 3.447 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415587271 499903987 /nfs/dbraw/zinc/90/39/87/499903987.db2.gz WLJPVNBKFSHWQT-QGZVFWFLSA-N 0 3 354.410 3.220 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)O1 ZINC000413183674 499923780 /nfs/dbraw/zinc/92/37/80/499923780.db2.gz IHIKXNOZNFXGGU-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN CC(C)c1ccc([C@H](N)CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000417235591 500013071 /nfs/dbraw/zinc/01/30/71/500013071.db2.gz RRWYWKKTLPCNLA-LJQANCHMSA-N 0 3 370.453 3.260 20 5 FGBDHN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OCCN(C)C ZINC000416345906 500022507 /nfs/dbraw/zinc/02/25/07/500022507.db2.gz YGJKHQNZVVMZPW-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CC[C@@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421391848 500035939 /nfs/dbraw/zinc/03/59/39/500035939.db2.gz UPHCUWBBXAZIHQ-QWHCGFSZSA-N 0 3 374.384 3.295 20 5 FGBDHN CC(C)(NC[C@@H](O)COCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429261397 500036897 /nfs/dbraw/zinc/03/68/97/500036897.db2.gz PQSLDXJVZXSIKV-OAHLLOKOSA-N 0 3 362.401 3.136 20 5 FGBDHN CS(=O)(=O)C1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000417336645 500043396 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COc1cc(CNC[C@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000418096349 500229040 /nfs/dbraw/zinc/22/90/40/500229040.db2.gz MLMRZIJKNGGWSW-LLVKDONJSA-N 0 3 360.332 3.434 20 5 FGBDHN COc1cccc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000422798397 500298842 /nfs/dbraw/zinc/29/88/42/500298842.db2.gz QXNPKMVZDFKJMI-MRXNPFEDSA-N 0 3 357.410 3.157 20 5 FGBDHN COc1cccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1OC ZINC000579520168 506193472 /nfs/dbraw/zinc/19/34/72/506193472.db2.gz YIIXMYKVTHQMSH-UHFFFAOYSA-N 0 3 355.394 3.426 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000423969483 500426232 /nfs/dbraw/zinc/42/62/32/500426232.db2.gz DYKAWEQRGPYIKI-UGSOOPFHSA-N 0 3 373.478 3.454 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000431872169 500437323 /nfs/dbraw/zinc/43/73/23/500437323.db2.gz SUUCDXBOJZAPRM-HUUCEWRRSA-N 0 3 362.474 3.392 20 5 FGBDHN CN1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000420605199 500476813 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000437583606 500663764 /nfs/dbraw/zinc/66/37/64/500663764.db2.gz XTFCKYVYCYGZAA-ZDUSSCGKSA-N 0 3 373.375 3.162 20 5 FGBDHN COc1ccc(NC(=O)CCN2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437584676 500664526 /nfs/dbraw/zinc/66/45/26/500664526.db2.gz SUNOJINPKSKTOJ-KRWDZBQOSA-N 0 3 355.394 3.379 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCN2CCCC[C@H]12 ZINC000447817796 500669598 /nfs/dbraw/zinc/66/95/98/500669598.db2.gz SJPKQMYMIIJQOI-ZIAGYGMSSA-N 0 3 353.806 3.074 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433799710 500745820 /nfs/dbraw/zinc/74/58/20/500745820.db2.gz SFVMNTXQBNCWAT-INIZCTEOSA-N 0 3 360.458 3.162 20 5 FGBDHN Cc1ccc(Cl)c(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000582415616 506217581 /nfs/dbraw/zinc/21/75/81/506217581.db2.gz CXQDGPSSFDGTSU-HNNXBMFYSA-N 0 3 364.829 3.395 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCN(CC4CCCCC4)CC3)nc2c1 ZINC000444595828 500863477 /nfs/dbraw/zinc/86/34/77/500863477.db2.gz KFDGQXWSUFNQER-UHFFFAOYSA-N 0 3 357.458 3.169 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Br ZINC000602579309 506223372 /nfs/dbraw/zinc/22/33/72/506223372.db2.gz JFWZTNWMSBZDOK-MVWJERBFSA-N 0 3 373.272 3.466 20 5 FGBDHN C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093031 500923519 /nfs/dbraw/zinc/92/35/19/500923519.db2.gz UVVYKNNQDVXBTD-KBPBESRZSA-N 0 3 362.451 3.453 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000439876492 500948944 /nfs/dbraw/zinc/94/89/44/500948944.db2.gz GFOHJGWKBSPIFT-AWEZNQCLSA-N 0 3 364.446 3.235 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000449328137 500978606 /nfs/dbraw/zinc/97/86/06/500978606.db2.gz IEEJQGZZTJQKFT-HZPDHXFCSA-N 0 3 371.437 3.126 20 5 FGBDHN Cc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000449654325 501051389 /nfs/dbraw/zinc/05/13/89/501051389.db2.gz DTYMGTWPHWGKTL-NJAFHUGGSA-N 0 3 358.442 3.387 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000446039598 501065641 /nfs/dbraw/zinc/06/56/41/501065641.db2.gz OVOHAOWKPQMCPJ-CQSZACIVSA-N 0 3 351.834 3.257 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441283456 501113586 /nfs/dbraw/zinc/11/35/86/501113586.db2.gz YRWCPWAEQTVDIY-KBMXLJTQSA-N 0 3 372.425 3.454 20 5 FGBDHN CC(C)(C)Oc1cc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450589208 501161610 /nfs/dbraw/zinc/16/16/10/501161610.db2.gz CHZOCRICNZSUJA-OAHLLOKOSA-N 0 3 351.447 3.031 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCCN(Cc4ccccc4)C3)nc2c1 ZINC000446830800 501169930 /nfs/dbraw/zinc/16/99/30/501169930.db2.gz WYXXVCNSSONQEG-MRXNPFEDSA-N 0 3 365.437 3.225 20 5 FGBDHN CC(C)c1ccc(CN[C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000447083627 501202825 /nfs/dbraw/zinc/20/28/25/501202825.db2.gz CCQGSCNZMMPHIK-MRXNPFEDSA-N 0 3 357.458 3.210 20 5 FGBDHN C[C@H](NCCC(=O)N1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451105773 501246153 /nfs/dbraw/zinc/24/61/53/501246153.db2.gz VJFOOLAEVAIHJG-AWEZNQCLSA-N 0 3 355.394 3.061 20 5 FGBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCCN(C)C ZINC000458190775 501388515 /nfs/dbraw/zinc/38/85/15/501388515.db2.gz CJBGWQJZTSRDQN-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN C[C@@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971854 506253461 /nfs/dbraw/zinc/25/34/61/506253461.db2.gz GZTJFQFRPPXQIZ-RDTXWAMCSA-N 0 3 360.458 3.362 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452343211 501482407 /nfs/dbraw/zinc/48/24/07/501482407.db2.gz WDJDLGUFQWATBS-ZDUSSCGKSA-N 0 3 353.850 3.489 20 5 FGBDHN Cc1c(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000456309387 501494253 /nfs/dbraw/zinc/49/42/53/501494253.db2.gz PSBDWTQVYUSKGP-MRXNPFEDSA-N 0 3 367.449 3.497 20 5 FGBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000457360737 501687012 /nfs/dbraw/zinc/68/70/12/501687012.db2.gz JAPJEFGWWBRKAB-LPHOPBHVSA-N 0 3 369.421 3.216 20 5 FGBDHN COc1ccc(C)cc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459654556 501693760 /nfs/dbraw/zinc/69/37/60/501693760.db2.gz GIYBTGCZSWCQEU-GJZGRUSLSA-N 0 3 360.410 3.002 20 5 FGBDHN COc1cc(CN[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000459787829 501714268 /nfs/dbraw/zinc/71/42/68/501714268.db2.gz QBCVZNZHDVXWBU-GJZGRUSLSA-N 0 3 372.368 3.252 20 5 FGBDHN COc1c(C)cccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602706415 506269140 /nfs/dbraw/zinc/26/91/40/506269140.db2.gz RHGCUSHIFVEELF-UHFFFAOYSA-N 0 3 356.426 3.065 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000460149160 501741648 /nfs/dbraw/zinc/74/16/48/501741648.db2.gz GNGNOOWATUYAIJ-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN CCc1ccc(CNCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000474374569 501811425 /nfs/dbraw/zinc/81/14/25/501811425.db2.gz PZULZZQQJFKVAM-UHFFFAOYSA-N 0 3 364.423 3.060 20 5 FGBDHN Cc1cc(NC[C@@H](C(C)C)N2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000470858782 501831451 /nfs/dbraw/zinc/83/14/51/501831451.db2.gz KUCLHJUFZNWPFQ-SFHVURJKSA-N 0 3 354.454 3.215 20 5 FGBDHN C[C@@H](NC[C@@H](C)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467841543 501888640 /nfs/dbraw/zinc/88/86/40/501888640.db2.gz VBHCUTCVJJILEG-QZTJIDSGSA-N 0 3 368.481 3.456 20 5 FGBDHN Cc1ccc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019008 501893115 /nfs/dbraw/zinc/89/31/15/501893115.db2.gz NTOIPBBWQCRUIZ-QZTJIDSGSA-N 0 3 370.449 3.441 20 5 FGBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464341241 501960012 /nfs/dbraw/zinc/96/00/12/501960012.db2.gz WXUQPRHGGBACQC-HNNXBMFYSA-N 0 3 351.834 3.243 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000478700361 502062432 /nfs/dbraw/zinc/06/24/32/502062432.db2.gz IWMXBRFQSRHUOA-JKSUJKDBSA-N 0 3 374.485 3.188 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H]4COCC[C@H]43)o2)c1 ZINC000464854045 502123112 /nfs/dbraw/zinc/12/31/12/502123112.db2.gz PPGOTLRCQWZCOE-NVXWUHKLSA-N 0 3 357.410 3.293 20 5 FGBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000464856947 502124306 /nfs/dbraw/zinc/12/43/06/502124306.db2.gz NDBYFBSSDPPXPS-UWWQBHOKSA-N 0 3 360.410 3.401 20 5 FGBDHN COc1cccc(C(=O)NCCNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468627115 502130900 /nfs/dbraw/zinc/13/09/00/502130900.db2.gz CIGXCAISZDMSCU-PTNGSMBKSA-N 0 3 369.421 3.026 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000468643358 502134655 /nfs/dbraw/zinc/13/46/55/502134655.db2.gz PLIAYFKZOHSNSV-PTNGSMBKSA-N 0 3 369.421 3.113 20 5 FGBDHN C[C@@H](CN(C)C)NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000582563940 506297097 /nfs/dbraw/zinc/29/70/97/506297097.db2.gz AROWLBUGXJUFNA-ZDUSSCGKSA-N 0 3 359.451 3.426 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000475570655 502215082 /nfs/dbraw/zinc/21/50/82/502215082.db2.gz TYOIXCKMGTWYET-MRXNPFEDSA-N 0 3 362.426 3.301 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475725708 502266344 /nfs/dbraw/zinc/26/63/44/502266344.db2.gz OQMBXEOYLYFFKB-OAHLLOKOSA-N 0 3 350.415 3.015 20 5 FGBDHN COc1cc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596194386 506303886 /nfs/dbraw/zinc/30/38/86/506303886.db2.gz FBWNHANSHUVSBE-GOEBONIOSA-N 0 3 371.890 3.273 20 5 FGBDHN COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000479825182 502389505 /nfs/dbraw/zinc/38/95/05/502389505.db2.gz YCWDVOLDCARQKG-SFHVURJKSA-N 0 3 371.437 3.253 20 5 FGBDHN COc1cc(NCCCN2CCCO[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596210071 506310429 /nfs/dbraw/zinc/31/04/29/506310429.db2.gz XBHHBTYRPHBIJA-GFCCVEGCSA-N 0 3 357.838 3.170 20 5 FGBDHN COC1CCN(C2(CNCc3ccc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000479928827 502421990 /nfs/dbraw/zinc/42/19/90/502421990.db2.gz SRMBBRDIEAYFMX-UHFFFAOYSA-N 0 3 365.449 3.247 20 5 FGBDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462487845 502460452 /nfs/dbraw/zinc/46/04/52/502460452.db2.gz KOODROQRENXPLC-UHFFFAOYSA-N 0 3 370.453 3.489 20 5 FGBDHN CCC(=O)c1ccc(NCc2ccnc(OCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000480096509 502471251 /nfs/dbraw/zinc/47/12/51/502471251.db2.gz VNQIEJDGVSQFBK-UHFFFAOYSA-N 0 3 372.425 3.135 20 5 FGBDHN CC1CCC(N2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000466150723 502490512 /nfs/dbraw/zinc/49/05/12/502490512.db2.gz XCUPHSHYBXMNAG-UHFFFAOYSA-N 0 3 374.485 3.043 20 5 FGBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000466243608 502514412 /nfs/dbraw/zinc/51/44/12/502514412.db2.gz VIXGTCCJOHWKEJ-CHWSQXEVSA-N 0 3 368.865 3.168 20 5 FGBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N1CCCC1 ZINC000466400365 502558697 /nfs/dbraw/zinc/55/86/97/502558697.db2.gz TVSAAVXQBZCHSX-ZDUSSCGKSA-N 0 3 359.451 3.424 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462875073 502609165 /nfs/dbraw/zinc/60/91/65/502609165.db2.gz GGRDLLGVAXMDRF-LJQANCHMSA-N 0 3 371.437 3.172 20 5 FGBDHN CC(C)(C)C1=CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000476915006 502619038 /nfs/dbraw/zinc/61/90/38/502619038.db2.gz RWXYCBQWTUCXDF-UHFFFAOYSA-N 0 3 359.470 3.322 20 5 FGBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470132072 502671383 /nfs/dbraw/zinc/67/13/83/502671383.db2.gz JVUJZBAPUFMHKP-MRXNPFEDSA-N 0 3 360.389 3.028 20 5 FGBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139958 502674826 /nfs/dbraw/zinc/67/48/26/502674826.db2.gz BZAGAEREAAKVAJ-XCRHUMRWSA-N 0 3 371.462 3.409 20 5 FGBDHN CC(C)(C(=O)NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000470179406 502697200 /nfs/dbraw/zinc/69/72/00/502697200.db2.gz XENVIERMLPYEAO-OAHLLOKOSA-N 0 3 363.433 3.145 20 5 FGBDHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480970170 502716379 /nfs/dbraw/zinc/71/63/79/502716379.db2.gz KATOKZRHHLPGAF-ACJLOTCBSA-N 0 3 374.416 3.397 20 5 FGBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000505028680 502841744 /nfs/dbraw/zinc/84/17/44/502841744.db2.gz IBLQPXVDSUEGBM-KRWDZBQOSA-N 0 3 370.453 3.440 20 5 FGBDHN CCc1ccc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000513391926 502924317 /nfs/dbraw/zinc/92/43/17/502924317.db2.gz HVBICBDBOTVLOC-GOSISDBHSA-N 0 3 355.438 3.199 20 5 FGBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000509675576 502964803 /nfs/dbraw/zinc/96/48/03/502964803.db2.gz NJOPDPQJOMGUDY-UHFFFAOYSA-N 0 3 353.378 3.333 20 5 FGBDHN NC(=O)[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513790240 503023185 /nfs/dbraw/zinc/02/31/85/503023185.db2.gz UOMTWNYUYOQDCI-VDZJLULYSA-N 0 3 353.422 3.122 20 5 FGBDHN CCOC(=O)C(C)(C)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000510097183 503049175 /nfs/dbraw/zinc/04/91/75/503049175.db2.gz FZBCAVFZAOOIFR-UHFFFAOYSA-N 0 3 364.442 3.275 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC[C@H]1C ZINC000497924256 503067658 /nfs/dbraw/zinc/06/76/58/503067658.db2.gz HNMFIAQDQCCMCO-KGLIPLIRSA-N 0 3 356.426 3.136 20 5 FGBDHN COC(=O)[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC2 ZINC000506241275 503075757 /nfs/dbraw/zinc/07/57/57/503075757.db2.gz SWGVFBOXSQYGNY-MRXNPFEDSA-N 0 3 362.426 3.157 20 5 FGBDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243188 503078052 /nfs/dbraw/zinc/07/80/52/503078052.db2.gz OBLVFTQAGHEJIK-QAPCUYQASA-N 0 3 371.437 3.238 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000506260168 503080464 /nfs/dbraw/zinc/08/04/64/503080464.db2.gz PHPXURVRJWUMBS-ILXRZTDVSA-N 0 3 365.499 3.312 20 5 FGBDHN CCOc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000490139016 503115613 /nfs/dbraw/zinc/11/56/13/503115613.db2.gz IWVDIICOTFEIGN-GJZGRUSLSA-N 0 3 351.447 3.295 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510527075 503133981 /nfs/dbraw/zinc/13/39/81/503133981.db2.gz ROGHZPPEXQRCAO-IFXJQAMLSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C ZINC000510528114 503135472 /nfs/dbraw/zinc/13/54/72/503135472.db2.gz ZVXUWSLWOYBOMM-KPZWWZAWSA-N 0 3 374.416 3.046 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000506635723 503147142 /nfs/dbraw/zinc/14/71/42/503147142.db2.gz MCQZVTRMDRZFHE-QWHCGFSZSA-N 0 3 351.472 3.309 20 5 FGBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1N(C)C ZINC000502159039 503152911 /nfs/dbraw/zinc/15/29/11/503152911.db2.gz KOZHJCSOOIQRCE-HZPDHXFCSA-N 0 3 358.467 3.139 20 5 FGBDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000502577341 503230446 /nfs/dbraw/zinc/23/04/46/503230446.db2.gz BSEGNZIPXDIJTQ-MPKXVKKWSA-N 0 3 357.357 3.062 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511107518 503256939 /nfs/dbraw/zinc/25/69/39/503256939.db2.gz NVZVGKXFIRUQBK-UHFFFAOYSA-N 0 3 357.410 3.107 20 5 FGBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000498778136 503262486 /nfs/dbraw/zinc/26/24/86/503262486.db2.gz SUFMRTOQLDKFJH-SNVBAGLBSA-N 0 3 360.336 3.172 20 5 FGBDHN COc1cccc(NC(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511126042 503262864 /nfs/dbraw/zinc/26/28/64/503262864.db2.gz PEOULOFRCJUWOB-UHFFFAOYSA-N 0 3 357.410 3.107 20 5 FGBDHN CN(CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511136691 503265991 /nfs/dbraw/zinc/26/59/91/503265991.db2.gz JXGWCQARDBXZPT-UHFFFAOYSA-N 0 3 363.364 3.376 20 5 FGBDHN CCN1C[C@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000498916120 503292409 /nfs/dbraw/zinc/29/24/09/503292409.db2.gz PTOUBTZELVDIRR-NEPJUHHUSA-N 0 3 373.400 3.119 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000599183112 506364513 /nfs/dbraw/zinc/36/45/13/506364513.db2.gz HAIOUMDPUWWHOQ-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000503198777 503364910 /nfs/dbraw/zinc/36/49/10/503364910.db2.gz MXYOYOAYVHBTSF-OAHLLOKOSA-N 0 3 369.421 3.370 20 5 FGBDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000503449172 503412307 /nfs/dbraw/zinc/41/23/07/503412307.db2.gz BWKZMBCIUDBABY-DIOULYMOSA-N 0 3 367.471 3.194 20 5 FGBDHN COc1cc(CN[C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493735649 503443426 /nfs/dbraw/zinc/44/34/26/503443426.db2.gz LDHATRZVZFBQFJ-GJZGRUSLSA-N 0 3 374.384 3.150 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493735648 503443545 /nfs/dbraw/zinc/44/35/45/503443545.db2.gz LDHATRZVZFBQFJ-CABCVRRESA-N 0 3 374.384 3.150 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000494058347 503480956 /nfs/dbraw/zinc/48/09/56/503480956.db2.gz FQOGUBBMGWJRFP-QAPCUYQASA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000516330671 503495011 /nfs/dbraw/zinc/49/50/11/503495011.db2.gz ZLJRQODLZIVUSO-UHFFFAOYSA-N 0 3 365.430 3.308 20 5 FGBDHN CCC[C@@]1(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000512285627 503509244 /nfs/dbraw/zinc/50/92/44/503509244.db2.gz JTWKWFHENZVBRK-QGZVFWFLSA-N 0 3 374.384 3.296 20 5 FGBDHN CCn1cc(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593081258 506382451 /nfs/dbraw/zinc/38/24/51/506382451.db2.gz QLRHSPJCBLBPGI-UHFFFAOYSA-N 0 3 373.457 3.359 20 5 FGBDHN CC(C)N(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000533248721 503776107 /nfs/dbraw/zinc/77/61/07/503776107.db2.gz MSPLBBOAVKVQME-UHFFFAOYSA-N 0 3 359.382 3.396 20 5 FGBDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000537023429 503780209 /nfs/dbraw/zinc/78/02/09/503780209.db2.gz ZGFGGQLFKSBIMR-NVXWUHKLSA-N 0 3 374.437 3.473 20 5 FGBDHN CC(C)n1cc([C@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000543505886 503797515 /nfs/dbraw/zinc/79/75/15/503797515.db2.gz SMRVLBUJCWWETG-ZDUSSCGKSA-N 0 3 373.413 3.021 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000540507843 503798307 /nfs/dbraw/zinc/79/83/07/503798307.db2.gz KJKIZROQXREGFU-ZDUSSCGKSA-N 0 3 373.375 3.162 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H]2CCCOC2)CC1 ZINC000540507841 503798979 /nfs/dbraw/zinc/79/89/79/503798979.db2.gz KJKIZROQXREGFU-CYBMUJFWSA-N 0 3 373.375 3.162 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000543540708 503806150 /nfs/dbraw/zinc/80/61/50/503806150.db2.gz FZWNBWYVNYNKLX-JZKQVHKSSA-N 0 3 369.421 3.385 20 5 FGBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543644526 503840196 /nfs/dbraw/zinc/84/01/96/503840196.db2.gz MPUSDZBGQBYWFM-CQSZACIVSA-N 0 3 360.389 3.028 20 5 FGBDHN CCOc1ccc(NC(=O)CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000543905035 503936392 /nfs/dbraw/zinc/93/63/92/503936392.db2.gz AXZYFWBHANURDD-QRTARXTBSA-N 0 3 361.442 3.443 20 5 FGBDHN CCN(Cc1ccc(C)cc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000530500127 503988614 /nfs/dbraw/zinc/98/86/14/503988614.db2.gz NUCAQYTUYJEXCG-UHFFFAOYSA-N 0 3 372.421 3.477 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H]2CCc3c2cccc3C)cc1[N+](=O)[O-] ZINC000530553134 504007356 /nfs/dbraw/zinc/00/73/56/504007356.db2.gz YNFKBJBYKPUPRA-KRWDZBQOSA-N 0 3 370.405 3.232 20 5 FGBDHN CN1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccccc1 ZINC000534261094 504087878 /nfs/dbraw/zinc/08/78/78/504087878.db2.gz ZLHSLXLZEKWOIR-QFBILLFUSA-N 0 3 364.405 3.251 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(OCCN(C)C)c1 ZINC000537957927 504095975 /nfs/dbraw/zinc/09/59/75/504095975.db2.gz ZMQISCFXYFQNLU-OAHLLOKOSA-N 0 3 358.442 3.089 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000547455672 504111526 /nfs/dbraw/zinc/11/15/26/504111526.db2.gz CRBXLHWFFDMLME-SCLBCKFNSA-N 0 3 356.426 3.058 20 5 FGBDHN Cc1cc(C)cc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000541390536 504115390 /nfs/dbraw/zinc/11/53/90/504115390.db2.gz SIKHBLAWHOJBTB-PXNSSMCTSA-N 0 3 370.449 3.441 20 5 FGBDHN CC(C)[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000544574382 504179545 /nfs/dbraw/zinc/17/95/45/504179545.db2.gz SOBZNYKVWUQJRR-DAYGRLMNSA-N 0 3 368.499 3.419 20 5 FGBDHN Cc1ccccc1C1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000544596119 504185016 /nfs/dbraw/zinc/18/50/16/504185016.db2.gz KZINXUGBQWJJHF-UHFFFAOYSA-N 0 3 374.462 3.213 20 5 FGBDHN CCc1nncn1CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000547789817 504226265 /nfs/dbraw/zinc/22/62/65/504226265.db2.gz CISUNKAKQHDWFZ-UHFFFAOYSA-N 0 3 357.439 3.267 20 5 FGBDHN Cn1cc(CNCCOC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538403304 504237283 /nfs/dbraw/zinc/23/72/83/504237283.db2.gz UYNVPKNOCNWTIL-UHFFFAOYSA-N 0 3 358.442 3.434 20 5 FGBDHN CC[C@@H]1C[C@H](C)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541738123 504237692 /nfs/dbraw/zinc/23/76/92/504237692.db2.gz CEKNUMMWIPTUJM-CKEIUWERSA-N 0 3 354.472 3.173 20 5 FGBDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000544895074 504293643 /nfs/dbraw/zinc/29/36/43/504293643.db2.gz GGVLAQODJQRRBO-HNNXBMFYSA-N 0 3 353.422 3.452 20 5 FGBDHN Cn1c(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])nc2cc(F)ccc21 ZINC000519782283 504336852 /nfs/dbraw/zinc/33/68/52/504336852.db2.gz VWNQXIGEFSMAOG-HNNXBMFYSA-N 0 3 354.385 3.440 20 5 FGBDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363288 504542269 /nfs/dbraw/zinc/54/22/69/504542269.db2.gz JWKSWCRASDZGOH-DOTOQJQBSA-N 0 3 368.437 3.079 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000536097597 504632677 /nfs/dbraw/zinc/63/26/77/504632677.db2.gz CJQJEDKMRAVFBT-INIZCTEOSA-N 0 3 357.410 3.026 20 5 FGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000565264916 504837424 /nfs/dbraw/zinc/83/74/24/504837424.db2.gz DVHUMTIZCGCAKC-CYBMUJFWSA-N 0 3 351.472 3.263 20 5 FGBDHN Cc1ccc(SCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000565443187 504887985 /nfs/dbraw/zinc/88/79/85/504887985.db2.gz KHKZRWUSOOPCPF-HNNXBMFYSA-N 0 3 362.451 3.025 20 5 FGBDHN COC(=O)COc1ccc(CNC(C)(C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000549868171 504922029 /nfs/dbraw/zinc/92/20/29/504922029.db2.gz PUZHLUIINBKDGC-UHFFFAOYSA-N 0 3 372.421 3.480 20 5 FGBDHN CC[C@H](C)N[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccco1 ZINC000553604190 504960563 /nfs/dbraw/zinc/96/05/63/504960563.db2.gz HZTYENCDEZBWRD-GXTWGEPZSA-N 0 3 355.398 3.094 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H](c2ccccc2)C2CC2)cc1 ZINC000565712597 504966692 /nfs/dbraw/zinc/96/66/92/504966692.db2.gz SNCGXFPDRZGNSS-IBGZPJMESA-N 0 3 374.462 3.152 20 5 FGBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000560094754 504990724 /nfs/dbraw/zinc/99/07/24/504990724.db2.gz RMFBYNORLXYXBG-KBXCAEBGSA-N 0 3 362.426 3.102 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556920146 505017515 /nfs/dbraw/zinc/01/75/15/505017515.db2.gz FAWLWTAROAZYTD-OLZOCXBDSA-N 0 3 372.512 3.021 20 5 FGBDHN CCN(CCN1CCCCCC1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000553932431 505046413 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FGBDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000364419328 497947090 /nfs/dbraw/zinc/94/70/90/497947090.db2.gz JBPQSEYGRVMPNM-HNNXBMFYSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]n1 ZINC000364419328 497947095 /nfs/dbraw/zinc/94/70/95/497947095.db2.gz JBPQSEYGRVMPNM-HNNXBMFYSA-N 0 3 371.441 3.143 20 5 FGBDHN C[C@@H](NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307094 497963281 /nfs/dbraw/zinc/96/32/81/497963281.db2.gz NEIPPCCLZPISBQ-HUUCEWRRSA-N 0 3 360.458 3.172 20 5 FGBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000285461510 498093544 /nfs/dbraw/zinc/09/35/44/498093544.db2.gz NAXCNZRWPHLJEB-DLBZAZTESA-N 0 3 360.410 3.386 20 5 FGBDHN Cc1cc(NCC2(N3CCSCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000301433147 498107265 /nfs/dbraw/zinc/10/72/65/498107265.db2.gz KXTYIGQARYNHDD-UHFFFAOYSA-N 0 3 350.488 3.462 20 5 FGBDHN Cc1cc(OCC(=O)Nc2ccccc2CCN(C)C)ccc1[N+](=O)[O-] ZINC000281345463 498113515 /nfs/dbraw/zinc/11/35/15/498113515.db2.gz ZLVOSMJVLCIGSA-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN CC(C)N1CCC(N(C)c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301507943 498140330 /nfs/dbraw/zinc/14/03/30/498140330.db2.gz CCGYOVIPMNPMRK-UHFFFAOYSA-N 0 3 357.252 3.061 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289440987 498147298 /nfs/dbraw/zinc/14/72/98/498147298.db2.gz DTSBFRCFFIBMRP-MJGOQNOKSA-N 0 3 373.453 3.265 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCCC[C@H](N3CCCC3)C2)c(Br)c1 ZINC000301576650 498171107 /nfs/dbraw/zinc/17/11/07/498171107.db2.gz YXGYDOJXQPDCIO-LBPRGKRZSA-N 0 3 369.263 3.207 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289521929 498178246 /nfs/dbraw/zinc/17/82/46/498178246.db2.gz CHVKCOYTZJFOAC-VXGBXAGGSA-N 0 3 352.822 3.339 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cn(C)nc1-c1ccncc1 ZINC000289588223 498206861 /nfs/dbraw/zinc/20/68/61/498206861.db2.gz UJONASJIICPYOP-UHFFFAOYSA-N 0 3 351.410 3.065 20 5 FGBDHN Cc1nc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301662279 498211863 /nfs/dbraw/zinc/21/18/63/498211863.db2.gz NAOYLVSESCAVIS-HUUCEWRRSA-N 0 3 362.474 3.014 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c(Cl)c1 ZINC000301756760 498253025 /nfs/dbraw/zinc/25/30/25/498253025.db2.gz YIOXQQMOXZLSBQ-OAHLLOKOSA-N 0 3 353.850 3.329 20 5 FGBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293408644 498373550 /nfs/dbraw/zinc/37/35/50/498373550.db2.gz HZLURUAAVCXZIR-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN Cc1c(NC(=O)CCN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289969537 498374875 /nfs/dbraw/zinc/37/48/75/498374875.db2.gz XEWHQOKPUXOSRP-AEFFLSMTSA-N 0 3 361.442 3.121 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000293924874 498534301 /nfs/dbraw/zinc/53/43/01/498534301.db2.gz ISUYGTKVNCSHJE-KSSFIOAISA-N 0 3 363.483 3.020 20 5 FGBDHN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCN(C)[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563670 498727618 /nfs/dbraw/zinc/72/76/18/498727618.db2.gz WHMISLWHCOVDOG-INMHGKMJSA-N 0 3 374.485 3.044 20 5 FGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596624 498735643 /nfs/dbraw/zinc/73/56/43/498735643.db2.gz GVVYROWQQYMGDT-QWHCGFSZSA-N 0 3 371.359 3.312 20 5 FGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651823 498754249 /nfs/dbraw/zinc/75/42/49/498754249.db2.gz UTOWKQHTWZASQD-UONOGXRCSA-N 0 3 351.834 3.255 20 5 FGBDHN COc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1[N+](=O)[O-] ZINC000299131328 498973586 /nfs/dbraw/zinc/97/35/86/498973586.db2.gz LSFIZASUXIZQOM-UHFFFAOYSA-N 0 3 369.421 3.129 20 5 FGBDHN CN(CCC(=O)Nc1cc(F)cc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000576293829 506123092 /nfs/dbraw/zinc/12/30/92/506123092.db2.gz VHBHMLFWVHVDHP-UHFFFAOYSA-N 0 3 363.364 3.376 20 5 FGBDHN Cc1cc(NC(=O)N(C)C2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000363832290 499016681 /nfs/dbraw/zinc/01/66/81/499016681.db2.gz YQBMMSKZBAOGHL-UHFFFAOYSA-N 0 3 369.425 3.431 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000299339403 499029394 /nfs/dbraw/zinc/02/93/94/499029394.db2.gz MAJBCXGERFUXKI-UHFFFAOYSA-N 0 3 371.462 3.319 20 5 FGBDHN C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269720 506129345 /nfs/dbraw/zinc/12/93/45/506129345.db2.gz FAMADWPCFMVTET-OXJNMPFZSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1cc(N2CCC(N(C)Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc(C)n1 ZINC000367299586 499176243 /nfs/dbraw/zinc/17/62/43/499176243.db2.gz PTIHAUUDPIBLIP-UHFFFAOYSA-N 0 3 373.432 3.242 20 5 FGBDHN CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368059478 499260580 /nfs/dbraw/zinc/26/05/80/499260580.db2.gz RFDHFCCEIIBJDD-FUHWJXTLSA-N 0 3 356.382 3.038 20 5 FGBDHN COc1cc(CNCC2(c3ncccc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000368270470 499280011 /nfs/dbraw/zinc/28/00/11/499280011.db2.gz XPYYMSBUPSVQMN-UHFFFAOYSA-N 0 3 357.410 3.137 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOCC4(CCC4)C3)o2)c1 ZINC000368856546 499340378 /nfs/dbraw/zinc/34/03/78/499340378.db2.gz PMKIMYIKDMKQOU-UHFFFAOYSA-N 0 3 357.410 3.295 20 5 FGBDHN Cc1cc(C(=O)N(C)C2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000368928702 499347458 /nfs/dbraw/zinc/34/74/58/499347458.db2.gz AKIKZKFEFXKGDJ-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2ccncc2)CC1 ZINC000368934261 499348365 /nfs/dbraw/zinc/34/83/65/499348365.db2.gz XZCYVAGTYXRPJS-UHFFFAOYSA-N 0 3 374.828 3.384 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000582142018 506143282 /nfs/dbraw/zinc/14/32/82/506143282.db2.gz ORJODYFFOPYJCU-CZUORRHYSA-N 0 3 359.426 3.284 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000582142016 506143349 /nfs/dbraw/zinc/14/33/49/506143349.db2.gz ORJODYFFOPYJCU-BBRMVZONSA-N 0 3 359.426 3.284 20 5 FGBDHN CN1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369539347 499414483 /nfs/dbraw/zinc/41/44/83/499414483.db2.gz IAJKELAVCVECIQ-MLGOLLRUSA-N 0 3 360.439 3.471 20 5 FGBDHN CNC(=O)c1ccc(NC[C@@H]2CCN(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000369562157 499418080 /nfs/dbraw/zinc/41/80/80/499418080.db2.gz XQMFBFNXKIYDSW-SUMWQHHRSA-N 0 3 374.466 3.121 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369569012 499419662 /nfs/dbraw/zinc/41/96/62/499419662.db2.gz MRUWZXYFXLOUSX-SUMWQHHRSA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369569011 499419771 /nfs/dbraw/zinc/41/97/71/499419771.db2.gz MRUWZXYFXLOUSX-GUYCJALGSA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CCC2(CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000372391516 499428232 /nfs/dbraw/zinc/42/82/32/499428232.db2.gz LDRYNBMUCYQCOM-UHFFFAOYSA-N 0 3 352.822 3.340 20 5 FGBDHN O=C([C@@H]1CC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2)N1CCCCC1 ZINC000378411107 499513584 /nfs/dbraw/zinc/51/35/84/499513584.db2.gz KOPDQFRYOQDMPV-IBGZPJMESA-N 0 3 371.481 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ZINC000573237590 506150478 /nfs/dbraw/zinc/15/04/78/506150478.db2.gz QXYWGZPUGTXXBW-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN O=C([C@@H]1CCCCN1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408450182 499589135 /nfs/dbraw/zinc/58/91/35/499589135.db2.gz CYJCKCAHKMOGEZ-IBGZPJMESA-N 0 3 357.454 3.277 20 5 FGBDHN O=[N+]([O-])c1cc(CNCCn2cncn2)ccc1Oc1ccccc1Cl ZINC000409523084 499603485 /nfs/dbraw/zinc/60/34/85/499603485.db2.gz RQWSHYRIJFURJW-UHFFFAOYSA-N 0 3 373.800 3.422 20 5 FGBDHN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000573249387 506152976 /nfs/dbraw/zinc/15/29/76/506152976.db2.gz HRLXSTRXNDXJEX-UZLBHIALSA-N 0 3 356.422 3.137 20 5 FGBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1CN1CCCC1 ZINC000377869098 499743857 /nfs/dbraw/zinc/74/38/57/499743857.db2.gz NYRAGYJEQVJNSC-GFCCVEGCSA-N 0 3 352.822 3.340 20 5 FGBDHN CC[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000411475215 499745329 /nfs/dbraw/zinc/74/53/29/499745329.db2.gz NJZOEHOKGVLVAE-MRXNPFEDSA-N 0 3 371.393 3.393 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](CO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000414202353 499768029 /nfs/dbraw/zinc/76/80/29/499768029.db2.gz ZASIEUDLRXRJOH-WMLDXEAASA-N 0 3 374.437 3.429 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412090700 499822227 /nfs/dbraw/zinc/82/22/27/499822227.db2.gz YYZYMFOOJHQCBD-CABCVRRESA-N 0 3 363.458 3.414 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000579387900 506162282 /nfs/dbraw/zinc/16/22/82/506162282.db2.gz QTYMFLIYZIQMRC-UHFFFAOYSA-N 0 3 358.442 3.414 20 5 FGBDHN O=C(Nc1ccc2c(c1)CNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000415997339 499939283 /nfs/dbraw/zinc/93/92/83/499939283.db2.gz PCNPILUEODGHDR-UHFFFAOYSA-N 0 3 352.394 3.395 20 5 FGBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCN(C2CCC2)C1 ZINC000413303307 499939429 /nfs/dbraw/zinc/93/94/29/499939429.db2.gz NVAXQMFSAGJBME-NSHDSACASA-N 0 3 358.364 3.319 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000417235589 500013514 /nfs/dbraw/zinc/01/35/14/500013514.db2.gz RRWYWKKTLPCNLA-IBGZPJMESA-N 0 3 370.453 3.260 20 5 FGBDHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)cc2F)cc([N+](=O)[O-])c1 ZINC000413901598 500090608 /nfs/dbraw/zinc/09/06/08/500090608.db2.gz MZPWNGQBPSZAEU-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425966623 500217572 /nfs/dbraw/zinc/21/75/72/500217572.db2.gz LJIIBPAOHVEFBP-UWJYYQICSA-N 0 3 369.465 3.225 20 5 FGBDHN Cc1cc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000426326145 500261433 /nfs/dbraw/zinc/26/14/33/500261433.db2.gz XIRLNXXTQUQZHZ-OAHLLOKOSA-N 0 3 369.469 3.404 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@](O)(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000426533648 500286127 /nfs/dbraw/zinc/28/61/27/500286127.db2.gz SHBKVBIRJNVOJQ-LJQANCHMSA-N 0 3 358.394 3.210 20 5 FGBDHN Cc1ccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430876040 500300274 /nfs/dbraw/zinc/30/02/74/500300274.db2.gz PTNAWPDBEJGOHI-QGZVFWFLSA-N 0 3 353.422 3.388 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccccc1C ZINC000576567149 506188977 /nfs/dbraw/zinc/18/89/77/506188977.db2.gz KAQQGNLUCJMOED-UHFFFAOYSA-N 0 3 357.410 3.375 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)N(C)C)cc1 ZINC000426887989 500333595 /nfs/dbraw/zinc/33/35/95/500333595.db2.gz BTNVCKWXZVVJHI-GOSISDBHSA-N 0 3 371.437 3.199 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431688047 500409056 /nfs/dbraw/zinc/40/90/56/500409056.db2.gz AYWDNCCEKUWYJB-MRXNPFEDSA-N 0 3 362.474 3.394 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000431872171 500437407 /nfs/dbraw/zinc/43/74/07/500437407.db2.gz SUUCDXBOJZAPRM-LSDHHAIUSA-N 0 3 362.474 3.392 20 5 FGBDHN Cc1cccc(CN2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000427997005 500456498 /nfs/dbraw/zinc/45/64/98/500456498.db2.gz QEHBPSCKTIEZAQ-UHFFFAOYSA-N 0 3 351.410 3.102 20 5 FGBDHN Cc1ccc(CNCCNC(=O)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000424190119 500465771 /nfs/dbraw/zinc/46/57/71/500465771.db2.gz OVZBZFPAWWCXAD-UHFFFAOYSA-N 0 3 355.438 3.132 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594295 500476121 /nfs/dbraw/zinc/47/61/21/500476121.db2.gz DCHGORIOHNCGBG-WMLDXEAASA-N 0 3 368.437 3.016 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000432323178 500499032 /nfs/dbraw/zinc/49/90/32/500499032.db2.gz BKWUOYBURPOWNT-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN CN(C)CCOc1cc(CNc2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC000432325039 500499093 /nfs/dbraw/zinc/49/90/93/500499093.db2.gz JEXGPWWUGGMQSD-UHFFFAOYSA-N 0 3 350.806 3.196 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420992662 500549485 /nfs/dbraw/zinc/54/94/85/500549485.db2.gz LAVGLTODLKAMKY-GJZGRUSLSA-N 0 3 366.364 3.321 20 5 FGBDHN COCCOc1ccccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540636 500620353 /nfs/dbraw/zinc/62/03/53/500620353.db2.gz DIMAMSJQEIYMOS-SJORKVTESA-N 0 3 374.441 3.090 20 5 FGBDHN CCOC1CC(O)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000447569843 500626460 /nfs/dbraw/zinc/62/64/60/500626460.db2.gz QLVDLJTUQQKBIO-GPJFCIFZSA-N 0 3 356.422 3.204 20 5 FGBDHN CC1CCN(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000448703639 500808879 /nfs/dbraw/zinc/80/88/79/500808879.db2.gz COKOUTXNHRERMV-UHFFFAOYSA-N 0 3 359.348 3.075 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448708770 500810575 /nfs/dbraw/zinc/81/05/75/500810575.db2.gz OOYYCCSLWGJMGQ-NSHDSACASA-N 0 3 359.348 3.075 20 5 FGBDHN Cc1csc([C@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C2CC2)n1 ZINC000602566163 506219489 /nfs/dbraw/zinc/21/94/89/506219489.db2.gz ITMYHIFQDZHAEJ-QGZVFWFLSA-N 0 3 373.482 3.464 20 5 FGBDHN Cc1cnccc1CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602581145 506222769 /nfs/dbraw/zinc/22/27/69/506222769.db2.gz DXLVDAKUCSYNKF-UHFFFAOYSA-N 0 3 356.245 3.455 20 5 FGBDHN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449097520 500924021 /nfs/dbraw/zinc/92/40/21/500924021.db2.gz DYCSKVOZQGQYQI-INIZCTEOSA-N 0 3 355.438 3.164 20 5 FGBDHN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000449294637 500969253 /nfs/dbraw/zinc/96/92/53/500969253.db2.gz ZZJVVIMQWGLJML-ZIAGYGMSSA-N 0 3 366.425 3.365 20 5 FGBDHN Cc1cc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000449335933 500981240 /nfs/dbraw/zinc/98/12/40/500981240.db2.gz LAVLLGUHOKFUJZ-AWEZNQCLSA-N 0 3 355.442 3.014 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449812090 501094515 /nfs/dbraw/zinc/09/45/15/501094515.db2.gz BOACCBNZOZLXSZ-QGZVFWFLSA-N 0 3 361.442 3.017 20 5 FGBDHN CC[C@H](C)N(C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436347344 501111875 /nfs/dbraw/zinc/11/18/75/501111875.db2.gz ZSKDTNZZNYIIFC-ZDUSSCGKSA-N 0 3 369.440 3.281 20 5 FGBDHN COc1cccc([C@@H]2[C@@H](Nc3ccc([N+](=O)[O-])nc3)CCN2C2CC2)c1 ZINC000450426018 501119429 /nfs/dbraw/zinc/11/94/29/501119429.db2.gz BMSXAYSNEMYRAH-PKOBYXMFSA-N 0 3 354.410 3.388 20 5 FGBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccsc1 ZINC000596073645 506241482 /nfs/dbraw/zinc/24/14/82/506241482.db2.gz KRGIPUXGURRPES-MRXNPFEDSA-N 0 3 362.455 3.250 20 5 FGBDHN CCOCCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1CC ZINC000450310139 501231044 /nfs/dbraw/zinc/23/10/44/501231044.db2.gz CIUZDPAPYBTDPP-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000451221426 501253239 /nfs/dbraw/zinc/25/32/39/501253239.db2.gz YVVVVYVQFMSXPG-UHFFFAOYSA-N 0 3 373.375 3.465 20 5 FGBDHN O=C(NC1CC(N2CCCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451367087 501276069 /nfs/dbraw/zinc/27/60/69/501276069.db2.gz ZVLWSXFYHWJFHR-UHFFFAOYSA-N 0 3 371.359 3.360 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccc(C(F)(F)F)n2)n1 ZINC000453258143 501301241 /nfs/dbraw/zinc/30/12/41/501301241.db2.gz AFLCZBNMKQUICD-STQMWFEESA-N 0 3 369.347 3.479 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)o1 ZINC000453258957 501301662 /nfs/dbraw/zinc/30/16/62/501301662.db2.gz OKWLABNAFJDCTK-UHFFFAOYSA-N 0 3 372.406 3.454 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451480784 501302713 /nfs/dbraw/zinc/30/27/13/501302713.db2.gz QAGZOJBHQQHGNB-CABCVRRESA-N 0 3 367.833 3.124 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCCN(CCCO)C2)c2ccccc2)c1 ZINC000453280520 501306797 /nfs/dbraw/zinc/30/67/97/501306797.db2.gz BXXNYXOJOYPMHN-PZJWPPBQSA-N 0 3 369.465 3.121 20 5 FGBDHN CC(C)O[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451508351 501309483 /nfs/dbraw/zinc/30/94/83/501309483.db2.gz WJBUFXVZQAYNEI-CABCVRRESA-N 0 3 369.849 3.368 20 5 FGBDHN CO[C@@H]1COCC[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453337539 501317356 /nfs/dbraw/zinc/31/73/56/501317356.db2.gz YPESNJBEILSOGX-RLLQIKCJSA-N 0 3 356.422 3.325 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000451550410 501321105 /nfs/dbraw/zinc/32/11/05/501321105.db2.gz ROGDOCPHGITIOX-AEFFLSMTSA-N 0 3 374.412 3.353 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]([C@@H](CO)C3CC3)C3CC3)co2)cc1 ZINC000451592217 501332682 /nfs/dbraw/zinc/33/26/82/501332682.db2.gz BOYJHMXSFDIIBG-ZWKOTPCHSA-N 0 3 357.410 3.137 20 5 FGBDHN CC[C@H]1CN(CC)CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000451724651 501360753 /nfs/dbraw/zinc/36/07/53/501360753.db2.gz IBDCJKMTXUMOBN-ZDUSSCGKSA-N 0 3 373.400 3.121 20 5 FGBDHN Cc1c(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000458323703 501419854 /nfs/dbraw/zinc/41/98/54/501419854.db2.gz RSWWSLZEIQPKAX-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CN(Cc1ccccc1)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000452724577 501551759 /nfs/dbraw/zinc/55/17/59/501551759.db2.gz YCMSUYGKAYFPGD-UHFFFAOYSA-N 0 3 353.422 3.379 20 5 FGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CN1CCCC1 ZINC000457059883 501642680 /nfs/dbraw/zinc/64/26/80/501642680.db2.gz XHECDYLRFBACNV-LBPRGKRZSA-N 0 3 369.849 3.006 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)CCCc1cccnc1 ZINC000459650433 501693068 /nfs/dbraw/zinc/69/30/68/501693068.db2.gz XXCDJDMFRJPHQO-OAHLLOKOSA-N 0 3 356.426 3.238 20 5 FGBDHN Cc1ccc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019009 501893671 /nfs/dbraw/zinc/89/36/71/501893671.db2.gz NTOIPBBWQCRUIZ-ROUUACIJSA-N 0 3 370.449 3.441 20 5 FGBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000474783967 501951794 /nfs/dbraw/zinc/95/17/94/501951794.db2.gz ILQUQLSPBMLFKV-AWEZNQCLSA-N 0 3 357.439 3.015 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485837791 501956970 /nfs/dbraw/zinc/95/69/70/501956970.db2.gz BXELJLXLJZSXLO-OCCSQVGLSA-N 0 3 373.434 3.295 20 5 FGBDHN COc1ccc(NC(=O)C[C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478489151 501998754 /nfs/dbraw/zinc/99/87/54/501998754.db2.gz KYNDPZREORBRRU-CYBMUJFWSA-N 0 3 357.410 3.419 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468483072 502074933 /nfs/dbraw/zinc/07/49/33/502074933.db2.gz GYKGOJKOODFWRL-CQSZACIVSA-N 0 3 353.850 3.407 20 5 FGBDHN Cc1nc(N(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000471745785 502126215 /nfs/dbraw/zinc/12/62/15/502126215.db2.gz CNRVOTWJVAQVGF-UHFFFAOYSA-N 0 3 350.369 3.145 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475504888 502194337 /nfs/dbraw/zinc/19/43/37/502194337.db2.gz VBIBOAZAFKBLSO-HOTGVXAUSA-N 0 3 367.449 3.436 20 5 FGBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475585543 502219834 /nfs/dbraw/zinc/21/98/34/502219834.db2.gz RTXHEFVIMBDBBF-QGZVFWFLSA-N 0 3 370.405 3.266 20 5 FGBDHN COc1cc(CN2CCC[C@@]2(CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000475655616 502243832 /nfs/dbraw/zinc/24/38/32/502243832.db2.gz ZBCPGXPGIGPOFJ-FQEVSTJZSA-N 0 3 356.422 3.173 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596191911 506302167 /nfs/dbraw/zinc/30/21/67/506302167.db2.gz BZKXVAGFDDZNLD-GVDBMIGSSA-N 0 3 368.437 3.408 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596191911 506302171 /nfs/dbraw/zinc/30/21/71/506302171.db2.gz BZKXVAGFDDZNLD-GVDBMIGSSA-N 0 3 368.437 3.408 20 5 FGBDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000475674151 502251057 /nfs/dbraw/zinc/25/10/57/502251057.db2.gz JJFGUOKNCUTIFN-QGZVFWFLSA-N 0 3 363.801 3.206 20 5 FGBDHN CCNC(=O)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000486887164 502294465 /nfs/dbraw/zinc/29/44/65/502294465.db2.gz RWHQDZJQGKHZEN-UHFFFAOYSA-N 0 3 357.410 3.251 20 5 FGBDHN CC(C)(C)CCN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486946236 502311601 /nfs/dbraw/zinc/31/16/01/502311601.db2.gz QBWAVBCQXUFYJZ-UHFFFAOYSA-N 0 3 359.430 3.203 20 5 FGBDHN Cn1ccnc1[C@H](NC[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074297 506309562 /nfs/dbraw/zinc/30/95/62/506309562.db2.gz PLVGCLPPEAPULU-RTBURBONSA-N 0 3 369.469 3.024 20 5 FGBDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428197 502388400 /nfs/dbraw/zinc/38/84/00/502388400.db2.gz CBBVYIJDNNWGEF-XLIONFOSSA-N 0 3 374.412 3.137 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599084037 506316245 /nfs/dbraw/zinc/31/62/45/506316245.db2.gz QGPJASUEAITWHW-PEELUZDISA-N 0 3 373.409 3.275 20 5 FGBDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484165825 502590835 /nfs/dbraw/zinc/59/08/35/502590835.db2.gz VEYLPYVKFYXCQU-QWHCGFSZSA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466538467 502600402 /nfs/dbraw/zinc/60/04/02/502600402.db2.gz HGWIRKSFIBMIDV-PBHICJAKSA-N 0 3 354.410 3.379 20 5 FGBDHN Cc1cnc(NCC2(N3CCSCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000463053588 502676626 /nfs/dbraw/zinc/67/66/26/502676626.db2.gz BBTGCMLFOZLOBF-UHFFFAOYSA-N 0 3 350.488 3.462 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151220 502680215 /nfs/dbraw/zinc/68/02/15/502680215.db2.gz KYMYSDNQUQCAMF-CYBMUJFWSA-N 0 3 360.389 3.376 20 5 FGBDHN CCC[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000470180476 502698005 /nfs/dbraw/zinc/69/80/05/502698005.db2.gz NXGVJWLFONSEJU-MBGNVJMVSA-N 0 3 361.486 3.431 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479943 502726712 /nfs/dbraw/zinc/72/67/12/502726712.db2.gz NUZFAMYNRIRFBP-IFXJQAMLSA-N 0 3 371.412 3.374 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000513222875 502882068 /nfs/dbraw/zinc/88/20/68/502882068.db2.gz KHZJWEKBNOLVMU-CYBMUJFWSA-N 0 3 367.409 3.459 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000513249817 502888509 /nfs/dbraw/zinc/88/85/09/502888509.db2.gz RSUKVCTVYFPKOW-SFHVURJKSA-N 0 3 353.422 3.298 20 5 FGBDHN Cn1c(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000489332267 502930849 /nfs/dbraw/zinc/93/08/49/502930849.db2.gz MBTVNQLHEIDPAA-UHFFFAOYSA-N 0 3 372.425 3.050 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H]2COCCO2)ccc1Oc1ccc(F)cc1 ZINC000513613468 502980172 /nfs/dbraw/zinc/98/01/72/502980172.db2.gz PSAQIKIPWGVHCN-MRXNPFEDSA-N 0 3 362.357 3.031 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000513750353 503016232 /nfs/dbraw/zinc/01/62/32/503016232.db2.gz GTWABSCJRTYIRI-OAHLLOKOSA-N 0 3 355.385 3.256 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914083 503063672 /nfs/dbraw/zinc/06/36/72/503063672.db2.gz PCXCGKRZIVMPNO-OIPACUDHSA-N 0 3 360.458 3.028 20 5 FGBDHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243184 503078112 /nfs/dbraw/zinc/07/81/12/503078112.db2.gz OBLVFTQAGHEJIK-CRAIPNDOSA-N 0 3 371.437 3.238 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@H](O)COc2ccccc2)cc(C(F)(F)F)c1 ZINC000582660964 506351507 /nfs/dbraw/zinc/35/15/07/506351507.db2.gz NOBUZORXOKEYPE-HNNXBMFYSA-N 0 3 370.327 3.143 20 5 FGBDHN COc1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000490084238 503106170 /nfs/dbraw/zinc/10/61/70/503106170.db2.gz CBEAPUSHHJHJSL-GOSISDBHSA-N 0 3 356.422 3.437 20 5 FGBDHN COc1cc(CN(CCc2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000490084241 503106318 /nfs/dbraw/zinc/10/63/18/503106318.db2.gz CBEAPUSHHJHJSL-SFHVURJKSA-N 0 3 356.422 3.437 20 5 FGBDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000501931498 503110697 /nfs/dbraw/zinc/11/06/97/503110697.db2.gz VHKBSWJJDYOXRU-JOYOIKCWSA-N 0 3 356.220 3.074 20 5 FGBDHN C[C@]1(c2cccc(F)c2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593039058 506353928 /nfs/dbraw/zinc/35/39/28/506353928.db2.gz CBNMHOJZRCXTMI-PXNSSMCTSA-N 0 3 374.412 3.137 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593039340 506354064 /nfs/dbraw/zinc/35/40/64/506354064.db2.gz NZBSLSNWGIYYAJ-UWVGGRQHSA-N 0 3 350.268 3.420 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510554405 503143623 /nfs/dbraw/zinc/14/36/23/503143623.db2.gz STVWMDVEYWEXIW-VBKZILBWSA-N 0 3 373.428 3.392 20 5 FGBDHN CSc1cc(C)ccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514825399 503202067 /nfs/dbraw/zinc/20/20/67/503202067.db2.gz SVZPXMWWWNZXNL-INIZCTEOSA-N 0 3 362.451 3.155 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000514879916 503217210 /nfs/dbraw/zinc/21/72/10/503217210.db2.gz CMWOCWBHPBOPJI-UHFFFAOYSA-N 0 3 360.458 3.117 20 5 FGBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000498638057 503230215 /nfs/dbraw/zinc/23/02/15/503230215.db2.gz KNAPKRQURJEGHN-QGZVFWFLSA-N 0 3 368.437 3.031 20 5 FGBDHN CCN1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926445 503295989 /nfs/dbraw/zinc/29/59/89/503295989.db2.gz CDFHVPZQCAQTBD-HUUCEWRRSA-N 0 3 358.442 3.207 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498943529 503300375 /nfs/dbraw/zinc/30/03/75/503300375.db2.gz XKXCETDEUWCUAV-AWEZNQCLSA-N 0 3 371.441 3.369 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498943529 503300377 /nfs/dbraw/zinc/30/03/77/503300377.db2.gz XKXCETDEUWCUAV-AWEZNQCLSA-N 0 3 371.441 3.369 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498943532 503300740 /nfs/dbraw/zinc/30/07/40/503300740.db2.gz XKXCETDEUWCUAV-CQSZACIVSA-N 0 3 371.441 3.369 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498943532 503300745 /nfs/dbraw/zinc/30/07/45/503300745.db2.gz XKXCETDEUWCUAV-CQSZACIVSA-N 0 3 371.441 3.369 20 5 FGBDHN COCC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000507483182 503306452 /nfs/dbraw/zinc/30/64/52/503306452.db2.gz REIQRCVOJHCOST-BBRMVZONSA-N 0 3 361.398 3.272 20 5 FGBDHN COc1c(C)cc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000507607377 503331385 /nfs/dbraw/zinc/33/13/85/503331385.db2.gz IADWOQYCBFSUMW-GOSISDBHSA-N 0 3 374.437 3.092 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000511540877 503340544 /nfs/dbraw/zinc/34/05/44/503340544.db2.gz JVRHXTRWQALNMV-OAHLLOKOSA-N 0 3 370.331 3.431 20 5 FGBDHN COc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677104 503367628 /nfs/dbraw/zinc/36/76/28/503367628.db2.gz GARMXUXCJHYABH-PBHICJAKSA-N 0 3 369.421 3.169 20 5 FGBDHN COc1cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677106 503367891 /nfs/dbraw/zinc/36/78/91/503367891.db2.gz GARMXUXCJHYABH-WMLDXEAASA-N 0 3 369.421 3.169 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511676978 503367960 /nfs/dbraw/zinc/36/79/60/503367960.db2.gz DECOREOILLWZHW-WBVHZDCISA-N 0 3 353.422 3.469 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000511900781 503410824 /nfs/dbraw/zinc/41/08/24/503410824.db2.gz JPUPYYZMLIDMSN-SFHVURJKSA-N 0 3 360.458 3.143 20 5 FGBDHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503446308 503411306 /nfs/dbraw/zinc/41/13/06/503411306.db2.gz KKPQOKMLNCSRDB-KBPBESRZSA-N 0 3 357.863 3.451 20 5 FGBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000503446654 503411365 /nfs/dbraw/zinc/41/13/65/503411365.db2.gz MGFDBMBXKQWCTF-JGGQBBKZSA-N 0 3 351.472 3.494 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593069078 506373373 /nfs/dbraw/zinc/37/33/73/506373373.db2.gz RRDVHFPRRDBUAW-LEWJYISDSA-N 0 3 367.449 3.070 20 5 FGBDHN C[C@@]1(c2ccccc2)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184793 503573714 /nfs/dbraw/zinc/57/37/14/503573714.db2.gz WMZOHEDEWIDHIB-TZIWHRDSSA-N 0 3 370.449 3.388 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(c3ccncc3)CC2)c1 ZINC000500423479 503621685 /nfs/dbraw/zinc/62/16/85/503621685.db2.gz JLZDNBSJZROPAV-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN COc1cccc(CN(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000533229993 503769328 /nfs/dbraw/zinc/76/93/28/503769328.db2.gz VVDBWEQSXCSNMK-UHFFFAOYSA-N 0 3 371.393 3.033 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000540642525 503842600 /nfs/dbraw/zinc/84/26/00/503842600.db2.gz BIVKSLPUQUQOLN-UHFFFAOYSA-N 0 3 372.425 3.108 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000537276295 503866595 /nfs/dbraw/zinc/86/65/95/503866595.db2.gz YSRYZZNYONRRSE-UHFFFAOYSA-N 0 3 363.458 3.005 20 5 FGBDHN COc1ccc(-c2ccc(CNCCN3CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000540802792 503898646 /nfs/dbraw/zinc/89/86/46/503898646.db2.gz LJJJZWXMQMZNNE-AWEZNQCLSA-N 0 3 359.426 3.295 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000533814165 503960626 /nfs/dbraw/zinc/96/06/26/503960626.db2.gz YHDCBJFKPUZVLI-KRWDZBQOSA-N 0 3 361.829 3.151 20 5 FGBDHN C[C@H](C[S@@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000544168432 504033088 /nfs/dbraw/zinc/03/30/88/504033088.db2.gz CWTUQQHKVYOSTM-XELLLNAOSA-N 0 3 366.414 3.383 20 5 FGBDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000537833286 504057628 /nfs/dbraw/zinc/05/76/28/504057628.db2.gz JVYLFPNXAZOISX-PKOBYXMFSA-N 0 3 355.438 3.198 20 5 FGBDHN CN1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccccc1 ZINC000534261092 504087792 /nfs/dbraw/zinc/08/77/92/504087792.db2.gz ZLHSLXLZEKWOIR-APWZRJJASA-N 0 3 364.405 3.251 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@](C)(O)C(F)(F)F ZINC000537947002 504092032 /nfs/dbraw/zinc/09/20/32/504092032.db2.gz DCYKGFDBEZDLQZ-MFKMUULPSA-N 0 3 352.378 3.368 20 5 FGBDHN COC(=O)COc1ccccc1[C@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000541566087 504178039 /nfs/dbraw/zinc/17/80/39/504178039.db2.gz WPBPGTVDBLHROH-AWEZNQCLSA-N 0 3 358.394 3.040 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000544839277 504276047 /nfs/dbraw/zinc/27/60/47/504276047.db2.gz TVRIDOBNIBKIAP-UHFFFAOYSA-N 0 3 365.437 3.429 20 5 FGBDHN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000545123686 504365805 /nfs/dbraw/zinc/36/58/05/504365805.db2.gz LTRFENJBFLIHPT-GOSISDBHSA-N 0 3 373.428 3.431 20 5 FGBDHN C[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531703133 504396765 /nfs/dbraw/zinc/39/67/65/504396765.db2.gz JCFYIIUCNXJRCY-DYESRHJHSA-N 0 3 368.481 3.234 20 5 FGBDHN COc1ccc(-c2ccc(CNCCc3ncc(C)cn3)o2)c([N+](=O)[O-])c1 ZINC000535369339 504415209 /nfs/dbraw/zinc/41/52/09/504415209.db2.gz RTDPFUMLOIFKEK-UHFFFAOYSA-N 0 3 368.393 3.294 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531769356 504419654 /nfs/dbraw/zinc/41/96/54/504419654.db2.gz BZGMWRLDFKGHEG-UHFFFAOYSA-N 0 3 355.438 3.250 20 5 FGBDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542258108 504426284 /nfs/dbraw/zinc/42/62/84/504426284.db2.gz HPTBFGILDYDMGT-HOTGVXAUSA-N 0 3 374.437 3.473 20 5 FGBDHN CN(C)CCOc1cccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000545687516 504562797 /nfs/dbraw/zinc/56/27/97/504562797.db2.gz BWLPFYZWWXPFJJ-UHFFFAOYSA-N 0 3 354.366 3.252 20 5 FGBDHN CC(C)C[C@@H](C)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665332 504568876 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359.348 3.218 20 5 FGBDHN Cc1noc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1[N+](=O)[O-] ZINC000595422797 507489615 /nfs/dbraw/zinc/48/96/15/507489615.db2.gz ONYYNLUOARQWMR-AWEZNQCLSA-N 0 3 374.445 3.437 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)cc1C(F)(F)F ZINC000611132630 507528355 /nfs/dbraw/zinc/52/83/55/507528355.db2.gz QHGHYNIROBOWGH-AWEZNQCLSA-N 0 3 373.375 3.305 20 5 FGBDHN O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595502450 507532176 /nfs/dbraw/zinc/53/21/76/507532176.db2.gz USXFOIVURLPRTJ-HNNXBMFYSA-N 0 3 354.410 3.198 20 5 FGBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(C)C1 ZINC000592220539 507539026 /nfs/dbraw/zinc/53/90/26/507539026.db2.gz CMOBOKBGUSYRBH-LBPRGKRZSA-N 0 3 372.372 3.144 20 5 FGBDHN CCN1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536737 507548555 /nfs/dbraw/zinc/54/85/55/507548555.db2.gz UONQGVQHBASBNI-LBPRGKRZSA-N 0 3 356.264 3.273 20 5 FGBDHN CC(C)N1CCN(C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000611276033 507601061 /nfs/dbraw/zinc/60/10/61/507601061.db2.gz AWXMWXZWNXGEDT-ALCCZGGFSA-N 0 3 372.513 3.098 20 5 FGBDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000595778506 507680453 /nfs/dbraw/zinc/68/04/53/507680453.db2.gz SFFIGVVVGMANNB-JKSUJKDBSA-N 0 3 361.442 3.249 20 5 FGBDHN COc1ccc(C[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000602550863 507745805 /nfs/dbraw/zinc/74/58/05/507745805.db2.gz OUWOXWGBLZWBJO-GFCCVEGCSA-N 0 3 371.393 3.474 20 5 FGBDHN C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820418394 599394234 /nfs/dbraw/zinc/39/42/34/599394234.db2.gz AGLFUCMLPLEKGB-OMDQHUAHSA-N 0 3 350.382 3.139 20 5 FGBDHN C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820418394 599394236 /nfs/dbraw/zinc/39/42/36/599394236.db2.gz AGLFUCMLPLEKGB-OMDQHUAHSA-N 0 3 350.382 3.139 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Br)s2)cc1 ZINC000113711376 700574925 /nfs/dbraw/zinc/57/49/25/700574925.db2.gz HNBBGMRJLRLFQT-LBPRGKRZSA-N 0 3 357.229 3.242 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000182096634 705825640 /nfs/dbraw/zinc/82/56/40/705825640.db2.gz QFIAPWKIBLMBPJ-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000183022812 705874631 /nfs/dbraw/zinc/87/46/31/705874631.db2.gz NQHIIAAMATXGQL-QWRGUYRKSA-N 0 3 356.831 3.400 20 5 FGBDHN Cc1ccc(OC(F)F)c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000756897379 722971457 /nfs/dbraw/zinc/97/14/57/722971457.db2.gz ZGSMKFDDZFOJFR-HNNXBMFYSA-N 0 3 352.337 3.328 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(NCCN2CCC(C)CC2)cc1Cl ZINC000741751458 722548758 /nfs/dbraw/zinc/54/87/58/722548758.db2.gz XKPJORDJAYUVMK-UHFFFAOYSA-N 0 3 355.822 3.179 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cc(Br)cs2)c1 ZINC000749680040 722736530 /nfs/dbraw/zinc/73/65/30/722736530.db2.gz ZGCFUTQHBODDDW-CYBMUJFWSA-N 0 3 357.229 3.242 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(F)cc(Br)c2)c1 ZINC000749693881 722737547 /nfs/dbraw/zinc/73/75/47/722737547.db2.gz WBAPJJRKFYPCQX-HNNXBMFYSA-N 0 3 369.190 3.320 20 5 FGBDHN CN(C)CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000790887588 723189898 /nfs/dbraw/zinc/18/98/98/723189898.db2.gz LOKAPUNFHZLRDN-UHFFFAOYSA-N 0 3 371.840 3.263 20 5 FGBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CCCCN1C1CC1 ZINC000764798892 723447488 /nfs/dbraw/zinc/44/74/88/723447488.db2.gz XGIOBCRLQIVHHP-HNNXBMFYSA-N 0 3 366.849 3.064 20 5 FGBDHN CN(CCC1CCOCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639362 723913176 /nfs/dbraw/zinc/91/31/76/723913176.db2.gz KPYXYNYFTGFKHH-UHFFFAOYSA-N 0 3 352.822 3.304 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC[C@H]2CN2CCCC2)c(Br)c1 ZINC000798398266 723929081 /nfs/dbraw/zinc/92/90/81/723929081.db2.gz NKZJWLMKMJNEKZ-ZDUSSCGKSA-N 0 3 354.248 3.422 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775868028 724074916 /nfs/dbraw/zinc/07/49/16/724074916.db2.gz CAIROSBVMLQNPJ-GDBMZVCRSA-N 0 3 369.849 3.370 20 5 FGBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000807786957 725169445 /nfs/dbraw/zinc/16/94/45/725169445.db2.gz MZUOTUUHARUWSE-HNNXBMFYSA-N 0 3 365.792 3.420 20 5 FGBDHN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000808800316 725218341 /nfs/dbraw/zinc/21/83/41/725218341.db2.gz ZYFDPLLJABDUKM-DLBZAZTESA-N 0 3 350.802 3.259 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1C1CC1 ZINC000813475782 726882648 /nfs/dbraw/zinc/88/26/48/726882648.db2.gz GKGFPXMNJUHICO-WCBMZHEXSA-N 0 3 358.225 3.257 20 5 FGBDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000813788443 726914387 /nfs/dbraw/zinc/91/43/87/726914387.db2.gz LPDSDKBGQPIWJB-ZFWWWQNUSA-N 0 3 353.394 3.032 20 5 FGBDHN Cc1cc([C@@H](N)CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000826867494 729417322 /nfs/dbraw/zinc/41/73/22/729417322.db2.gz MFKPBEPLVRWAQM-AWEZNQCLSA-N 0 3 362.817 3.000 20 5 FGBDHN CN(Cc1ccccc1)C[C@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000834379355 729798345 /nfs/dbraw/zinc/79/83/45/729798345.db2.gz ZPZABQDRXPBCCK-AWEZNQCLSA-N 0 3 350.802 3.120 20 5 FGBDHN COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872786 730904876 /nfs/dbraw/zinc/90/48/76/730904876.db2.gz OHYXEYBRNYBCDT-LKFCYVNXSA-N 0 3 367.354 3.237 20 5 FGBDHN CNc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(Cl)n1 ZINC000845875965 730905103 /nfs/dbraw/zinc/90/51/03/730905103.db2.gz MILMPACKSOSNMX-VFZGTOFNSA-N 0 3 367.764 3.479 20 5 FGBDHN Cc1nc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845875089 730905239 /nfs/dbraw/zinc/90/52/39/730905239.db2.gz LFRCVACSZHJSSF-QLJPJBMISA-N 0 3 352.387 3.473 20 5 FGBDHN CC([C@@H](OC(=O)CCC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845882617 730906074 /nfs/dbraw/zinc/90/60/74/730906074.db2.gz OZZVZHQXPAZGGB-MEDUHNTESA-N 0 3 355.362 3.197 20 5 FGBDHN Cc1c(Cl)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845882570 730906081 /nfs/dbraw/zinc/90/60/81/730906081.db2.gz VZFMRQYVMRTQMY-XPTSAGLGSA-N 0 3 355.753 3.084 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000847081419 731017668 /nfs/dbraw/zinc/01/76/68/731017668.db2.gz UQHOXIJYCKUKTL-HIFRSBDPSA-N 0 3 355.822 3.124 20 5 FGBDHN CCn1ncc(Cl)c1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000857036831 732093363 /nfs/dbraw/zinc/09/33/63/732093363.db2.gz SGVIKSCPYGXYJB-YMTOWFKASA-N 0 3 355.753 3.259 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@@H](O)COCc2ccccc2)c1 ZINC000858332079 732204454 /nfs/dbraw/zinc/20/44/54/732204454.db2.gz MWEITWYCLZFTIW-QGZVFWFLSA-N 0 3 364.829 3.306 20 5 FGBDHN CN(C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(F)cc1 ZINC000865453498 733204244 /nfs/dbraw/zinc/20/42/44/733204244.db2.gz FKCOZGLDMNIXNA-QGZVFWFLSA-N 0 3 351.353 3.080 20 5 FGBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000872249235 735609081 /nfs/dbraw/zinc/60/90/81/735609081.db2.gz GDAPCXCEHUBXAR-QMTHXVAHSA-N 0 3 355.316 3.393 20 5 FGBDHN O=C1OCC[C@@H]1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000873161158 735728603 /nfs/dbraw/zinc/72/86/03/735728603.db2.gz KRCBOPTYKJUAKS-LBPRGKRZSA-N 0 3 361.423 3.151 20 5 FGBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874832797 735936648 /nfs/dbraw/zinc/93/66/48/735936648.db2.gz HBYSBLRIEWHIRD-STQMWFEESA-N 0 3 369.874 3.035 20 5 FGBDHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880506950 737181831 /nfs/dbraw/zinc/18/18/31/737181831.db2.gz LKGPCGMVYQRWOT-CXMBCZLWSA-N 0 3 367.833 3.267 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891625300 739922335 /nfs/dbraw/zinc/92/23/35/739922335.db2.gz OTDPCABPQZAEFW-SJORKVTESA-N 0 3 352.406 3.439 20 5 FGBDHN O=C(CN[C@H]1CCOC12CCCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933874901 761488660 /nfs/dbraw/zinc/48/86/60/761488660.db2.gz KSOUYRXWRMHHFL-HNNXBMFYSA-N 0 3 367.833 3.268 20 5 FGBDHN C[C@H](N[C@@H]1CCOC12CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000934388794 761619706 /nfs/dbraw/zinc/61/97/06/761619706.db2.gz AEPJCFXRHBARDW-XHDPSFHLSA-N 0 3 367.833 3.267 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H](N2CCCCC2)C1 ZINC000293511013 257379516 /nfs/dbraw/zinc/37/95/16/257379516.db2.gz VMKLKEWGZBUOII-CYBMUJFWSA-N 0 3 371.359 3.314 20 5 FGBDHN CCN(C[C@@H]1CCCN1CC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000576971219 505636264 /nfs/dbraw/zinc/63/62/64/505636264.db2.gz GQLVSCCKHIYRBV-HNNXBMFYSA-N 0 3 365.449 3.344 20 5 FGBDHN CCN1C[C@@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000573961787 505660866 /nfs/dbraw/zinc/66/08/66/505660866.db2.gz UGRCRNRUBAUFFZ-TXEJJXNPSA-N 0 3 373.400 3.119 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081122139 493835760 /nfs/dbraw/zinc/83/57/60/493835760.db2.gz OXHJEMYBNOJXHZ-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081127575 493837311 /nfs/dbraw/zinc/83/73/11/493837311.db2.gz LSHDSKNQBJYCRJ-INIZCTEOSA-N 0 3 357.385 3.080 20 5 FGBDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000058422020 493851608 /nfs/dbraw/zinc/85/16/08/493851608.db2.gz JBNJDFVYSPSZSR-FXAWDEMLSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000076388416 493880640 /nfs/dbraw/zinc/88/06/40/493880640.db2.gz MEKDBEIEDNRMJI-MRXNPFEDSA-N 0 3 353.422 3.331 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000064129889 494106465 /nfs/dbraw/zinc/10/64/65/494106465.db2.gz NTLVRQGXQUHHMN-UHFFFAOYSA-N 0 3 374.485 3.040 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054227196 494210387 /nfs/dbraw/zinc/21/03/87/494210387.db2.gz PEKIKHUQTHUYNH-MAUKXSAKSA-N 0 3 353.422 3.469 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000065842742 494245545 /nfs/dbraw/zinc/24/55/45/494245545.db2.gz DBYVVXRRUSPWST-UHFFFAOYSA-N 0 3 352.394 3.250 20 5 FGBDHN CCN1CCC(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000014523735 494320231 /nfs/dbraw/zinc/32/02/31/494320231.db2.gz UHLLNKXPGPWIIM-UHFFFAOYSA-N 0 3 374.485 3.045 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015140478 494340876 /nfs/dbraw/zinc/34/08/76/494340876.db2.gz NOLCNRCCHHPCGL-UHFFFAOYSA-N 0 3 359.451 3.065 20 5 FGBDHN COC[C@@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000580262272 505716178 /nfs/dbraw/zinc/71/61/78/505716178.db2.gz RTKIEQBIFOPNND-DFOOEPSASA-N 0 3 368.433 3.312 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000066726255 494396824 /nfs/dbraw/zinc/39/68/24/494396824.db2.gz QZYVXJMTAUPSNF-UHFFFAOYSA-N 0 3 371.437 3.084 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000067060564 494465592 /nfs/dbraw/zinc/46/55/92/494465592.db2.gz GZWLUXHGLJJGLP-UHFFFAOYSA-N 0 3 370.453 3.388 20 5 FGBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000115816951 494628939 /nfs/dbraw/zinc/62/89/39/494628939.db2.gz BSTJLPQBHYNERB-IBGZPJMESA-N 0 3 367.449 3.463 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080203158 494637390 /nfs/dbraw/zinc/63/73/90/494637390.db2.gz GJQIEQLSTYDQLH-LBPRGKRZSA-N 0 3 359.348 3.218 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000108379580 494692434 /nfs/dbraw/zinc/69/24/34/494692434.db2.gz PBQUIAMWOBDSBX-IRXDYDNUSA-N 0 3 374.485 3.181 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866088 494784313 /nfs/dbraw/zinc/78/43/13/494784313.db2.gz RJMPXVMTRJPTRL-NSHDSACASA-N 0 3 372.372 3.192 20 5 FGBDHN Cc1ccc([C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000127437780 494944595 /nfs/dbraw/zinc/94/45/95/494944595.db2.gz UUJKIDTYEHDLGP-YJBOKZPZSA-N 0 3 359.426 3.220 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN(C)Cc1ccccc1 ZINC000127598072 494968162 /nfs/dbraw/zinc/96/81/62/494968162.db2.gz JBFQSFUTJWRHQY-UHFFFAOYSA-N 0 3 356.426 3.465 20 5 FGBDHN CN(C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000122509361 494986294 /nfs/dbraw/zinc/98/62/94/494986294.db2.gz SVIWAUHJICEXQB-LJQANCHMSA-N 0 3 366.421 3.038 20 5 FGBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000129053208 495189128 /nfs/dbraw/zinc/18/91/28/495189128.db2.gz LNAHMHJZJGMTMY-UHFFFAOYSA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134917009 495222802 /nfs/dbraw/zinc/22/28/02/495222802.db2.gz FBZPODNORVCMOH-CJNGLKHVSA-N 0 3 357.385 3.127 20 5 FGBDHN CN(c1ccccc1)c1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000119900310 495266076 /nfs/dbraw/zinc/26/60/76/495266076.db2.gz XMNIVDBSPLZNSK-INIZCTEOSA-N 0 3 368.437 3.073 20 5 FGBDHN NC(=O)[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000129698109 495282425 /nfs/dbraw/zinc/28/24/25/495282425.db2.gz UOMTWNYUYOQDCI-SZVBFZGTSA-N 0 3 353.422 3.122 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000130089587 495339741 /nfs/dbraw/zinc/33/97/41/495339741.db2.gz PZZWNPXNISHJFL-DYVFJYSZSA-N 0 3 374.466 3.173 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000120277693 495341903 /nfs/dbraw/zinc/34/19/03/495341903.db2.gz PFOXKSIYBKJXMU-UHFFFAOYSA-N 0 3 360.414 3.400 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000114468993 495379410 /nfs/dbraw/zinc/37/94/10/495379410.db2.gz YXSZDSOUGVWHHS-GOSISDBHSA-N 0 3 356.422 3.346 20 5 FGBDHN Cc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000114644851 495403904 /nfs/dbraw/zinc/40/39/04/495403904.db2.gz DMPBSPPZHIJYKU-KRWDZBQOSA-N 0 3 353.422 3.298 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](CN4CCOCC4)C3)o2)cc1 ZINC000130993016 495476766 /nfs/dbraw/zinc/47/67/66/495476766.db2.gz HVXREOQDWZLVQI-MRXNPFEDSA-N 0 3 371.437 3.009 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000182729815 495679245 /nfs/dbraw/zinc/67/92/45/495679245.db2.gz UOICPHDQQLZNPD-HNNXBMFYSA-N 0 3 358.442 3.033 20 5 FGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182834919 495720850 /nfs/dbraw/zinc/72/08/50/495720850.db2.gz OIVTYFCVDNSXKG-AAEUAGOBSA-N 0 3 371.890 3.139 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000171422613 495867148 /nfs/dbraw/zinc/86/71/48/495867148.db2.gz FWWKPZWQWCRHKN-INIZCTEOSA-N 0 3 362.474 3.389 20 5 FGBDHN Cc1cc(N2CC[C@]3(C2)CCCN(C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571770635 505811330 /nfs/dbraw/zinc/81/13/30/505811330.db2.gz AKWNLROIONGDBS-HXUWFJFHSA-N 0 3 367.453 3.282 20 5 FGBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1ccccc1 ZINC000183343617 495939997 /nfs/dbraw/zinc/93/99/97/495939997.db2.gz IQQKLWBMLDRNDU-CABCVRRESA-N 0 3 353.422 3.266 20 5 FGBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccccc1 ZINC000183357427 495944861 /nfs/dbraw/zinc/94/48/61/495944861.db2.gz LVSGKXGVFMXQQW-LSDHHAIUSA-N 0 3 353.422 3.266 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177155370 495951717 /nfs/dbraw/zinc/95/17/17/495951717.db2.gz BWTFUFZVOHCCIT-UHFFFAOYSA-N 0 3 371.412 3.171 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000183392943 495962300 /nfs/dbraw/zinc/96/23/00/495962300.db2.gz FPNCWRYSAVCRBQ-SFHVURJKSA-N 0 3 369.421 3.153 20 5 FGBDHN Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000568948065 505814808 /nfs/dbraw/zinc/81/48/08/505814808.db2.gz NNMWOBFBNHCRPG-AWEZNQCLSA-N 0 3 371.441 3.109 20 5 FGBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180721433 496119324 /nfs/dbraw/zinc/11/93/24/496119324.db2.gz HBIUABUEVIACIS-CQSZACIVSA-N 0 3 351.472 3.309 20 5 FGBDHN Cc1cc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000152372194 496130125 /nfs/dbraw/zinc/13/01/25/496130125.db2.gz LQBNULHWOGWHPI-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccn1)C1CC1 ZINC000180871985 496180943 /nfs/dbraw/zinc/18/09/43/496180943.db2.gz JVDIJIYDXCESMC-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152696861 496230282 /nfs/dbraw/zinc/23/02/82/496230282.db2.gz ODMSQXMGYCWPFE-MAUKXSAKSA-N 0 3 365.474 3.001 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cc3ccccc3s2)c1 ZINC000577975879 505832059 /nfs/dbraw/zinc/83/20/59/505832059.db2.gz YCKFIXCHSPWFTK-HNNXBMFYSA-N 0 3 358.419 3.339 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCC2CCS(=O)(=O)CC2)c2ccccc2)c1 ZINC000181024737 496245965 /nfs/dbraw/zinc/24/59/65/496245965.db2.gz QBDDJHJGWOHJOO-IBGZPJMESA-N 0 3 374.462 3.099 20 5 FGBDHN Cc1cccc(S(=O)(=O)CCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000184304762 496327920 /nfs/dbraw/zinc/32/79/20/496327920.db2.gz IOEUTYWUBWBRBZ-HNNXBMFYSA-N 0 3 362.451 3.418 20 5 FGBDHN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000187207146 496339116 /nfs/dbraw/zinc/33/91/16/496339116.db2.gz ZGCRECPJPZAJMY-IFXJQAMLSA-N 0 3 373.478 3.495 20 5 FGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000181322817 496353727 /nfs/dbraw/zinc/35/37/27/496353727.db2.gz SRXQGKVHOQCRIL-CQSZACIVSA-N 0 3 371.393 3.281 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178191789 496363736 /nfs/dbraw/zinc/36/37/36/496363736.db2.gz ZNORUFBUZCECEJ-ZDUSSCGKSA-N 0 3 356.426 3.036 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187264719 496367829 /nfs/dbraw/zinc/36/78/29/496367829.db2.gz DPARVGJBVJSGDL-UGSOOPFHSA-N 0 3 357.410 3.025 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000181545699 496439134 /nfs/dbraw/zinc/43/91/34/496439134.db2.gz PFDGWNLFJOJIFI-STQMWFEESA-N 0 3 363.483 3.450 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000153403447 496443874 /nfs/dbraw/zinc/44/38/74/496443874.db2.gz JVZMWAKLGHFVGX-YPMHNXCESA-N 0 3 361.364 3.281 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000153403257 496444738 /nfs/dbraw/zinc/44/47/38/496444738.db2.gz JVZMWAKLGHFVGX-DGCLKSJQSA-N 0 3 361.364 3.281 20 5 FGBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153474774 496467603 /nfs/dbraw/zinc/46/76/03/496467603.db2.gz MZJCUSSGQSBZDF-HNNXBMFYSA-N 0 3 350.802 3.120 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000172982520 496509027 /nfs/dbraw/zinc/50/90/27/496509027.db2.gz WFDCADUHPRONJV-MRXNPFEDSA-N 0 3 359.451 3.152 20 5 FGBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000173031798 496526114 /nfs/dbraw/zinc/52/61/14/496526114.db2.gz WFHSGOIIHFNLOF-UHFFFAOYSA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655460 496530464 /nfs/dbraw/zinc/53/04/64/496530464.db2.gz LESDYMCLIGMPGQ-XLIONFOSSA-N 0 3 369.465 3.189 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C)C2(CCCCC2)C1 ZINC000571937120 505850124 /nfs/dbraw/zinc/85/01/24/505850124.db2.gz MNAWICYEXBLZHG-UHFFFAOYSA-N 0 3 374.485 3.182 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000181780498 496541492 /nfs/dbraw/zinc/54/14/92/496541492.db2.gz XFGKUJDXFVFNRV-AWEZNQCLSA-N 0 3 371.437 3.498 20 5 FGBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)c1ccccc1 ZINC000181786491 496544333 /nfs/dbraw/zinc/54/43/33/496544333.db2.gz DADOMACPWZCSMO-HNNXBMFYSA-N 0 3 367.449 3.440 20 5 FGBDHN O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000166749925 496692067 /nfs/dbraw/zinc/69/20/67/496692067.db2.gz ZBHMYZFASPIPHT-YJBOKZPZSA-N 0 3 369.421 3.291 20 5 FGBDHN Cc1cccnc1[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182174959 496698267 /nfs/dbraw/zinc/69/82/67/496698267.db2.gz ASERBTPIBZYMKV-MAUKXSAKSA-N 0 3 359.426 3.025 20 5 FGBDHN COc1ccc([C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000182197694 496704459 /nfs/dbraw/zinc/70/44/59/496704459.db2.gz LFLGZJPVELFHHS-OXJNMPFZSA-N 0 3 372.421 3.084 20 5 FGBDHN COCCN1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000195104577 496822349 /nfs/dbraw/zinc/82/23/49/496822349.db2.gz PMGNWYALARSETH-UHFFFAOYSA-N 0 3 363.461 3.229 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247318353 496833138 /nfs/dbraw/zinc/83/31/38/496833138.db2.gz HWWXVSIMPCNHKK-KXBFYZLASA-N 0 3 373.478 3.398 20 5 FGBDHN Cc1c([C@@H](C)NCCN2CCc3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000191620034 496835167 /nfs/dbraw/zinc/83/51/67/496835167.db2.gz SRUVBEBMPWSWNW-OAHLLOKOSA-N 0 3 353.422 3.252 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H](N2CCCC2)C1 ZINC000264432156 496899623 /nfs/dbraw/zinc/89/96/23/496899623.db2.gz LAAMTSWRIXTKCT-INIZCTEOSA-N 0 3 357.410 3.432 20 5 FGBDHN CN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247915476 496927080 /nfs/dbraw/zinc/92/70/80/496927080.db2.gz AXBPXOSGNQNRCC-PKOBYXMFSA-N 0 3 373.840 3.352 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000269418085 496942907 /nfs/dbraw/zinc/94/29/07/496942907.db2.gz WVCGWRXAJYCKMG-OAHLLOKOSA-N 0 3 371.441 3.008 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000248393747 496992722 /nfs/dbraw/zinc/99/27/22/496992722.db2.gz MDQNYVYDVRPTOR-ZIFCJYIRSA-N 0 3 359.470 3.106 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000248836335 497115206 /nfs/dbraw/zinc/11/52/06/497115206.db2.gz NBIPCDJAMOZPHB-SUMWQHHRSA-N 0 3 373.840 3.499 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCC4(CCCCC4)O3)C2)nc1 ZINC000248843611 497116553 /nfs/dbraw/zinc/11/65/53/497116553.db2.gz ORJDDRLDGQWCJQ-DOTOQJQBSA-N 0 3 360.458 3.358 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CCc2ccccc2)CC1 ZINC000192493406 497132403 /nfs/dbraw/zinc/13/24/03/497132403.db2.gz FHYJZFXIXDHOOC-UHFFFAOYSA-N 0 3 357.458 3.239 20 5 FGBDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000237247714 497210009 /nfs/dbraw/zinc/21/00/09/497210009.db2.gz PPIVJXBVWRIHEK-CYBMUJFWSA-N 0 3 373.409 3.119 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(c4ccccc4)CC3)nc2c1 ZINC000278787257 497220595 /nfs/dbraw/zinc/22/05/95/497220595.db2.gz WJGLGXUKERPDCW-UHFFFAOYSA-N 0 3 351.410 3.230 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000189785162 497243498 /nfs/dbraw/zinc/24/34/98/497243498.db2.gz YSTSRDRPJSGKKS-AEFFLSMTSA-N 0 3 370.409 3.170 20 5 FGBDHN COC(=O)COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192998649 497269886 /nfs/dbraw/zinc/26/98/86/497269886.db2.gz QYHZPPIKFWLTDQ-IBGZPJMESA-N 0 3 370.405 3.314 20 5 FGBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275391171 497311525 /nfs/dbraw/zinc/31/15/25/497311525.db2.gz AIOHWESYUOPIJJ-AWEZNQCLSA-N 0 3 361.445 3.308 20 5 FGBDHN COc1cccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000271704216 497423358 /nfs/dbraw/zinc/42/33/58/497423358.db2.gz TYLITHBLGIGUBL-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000267001286 497465628 /nfs/dbraw/zinc/46/56/28/497465628.db2.gz YODYZZJNJMTFDF-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN CCc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193838724 497498141 /nfs/dbraw/zinc/49/81/41/497498141.db2.gz JEFYYCDNGJTTAZ-QGZVFWFLSA-N 0 3 367.449 3.409 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000272160680 497551600 /nfs/dbraw/zinc/55/16/00/497551600.db2.gz NPSCSNUQNRQHLQ-LLVKDONJSA-N 0 3 354.838 3.442 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246261694 497676229 /nfs/dbraw/zinc/67/62/29/497676229.db2.gz LGDOVCLDWZBQOV-DJIMGWMZSA-N 0 3 362.451 3.278 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000194834322 497786200 /nfs/dbraw/zinc/78/62/00/497786200.db2.gz QUAFFKJIOPDAOR-DOTOQJQBSA-N 0 3 353.422 3.296 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000273041818 497789020 /nfs/dbraw/zinc/78/90/20/497789020.db2.gz WGBUDYJSCUSYQR-OAHLLOKOSA-N 0 3 360.458 3.165 20 5 FGBDHN C[C@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284969359 497956618 /nfs/dbraw/zinc/95/66/18/497956618.db2.gz FSIAZMNJAJMBOE-BBRMVZONSA-N 0 3 369.425 3.134 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000296743558 498178992 /nfs/dbraw/zinc/17/89/92/498178992.db2.gz PAKMVTIXKSBCSX-KBPBESRZSA-N 0 3 371.441 3.122 20 5 FGBDHN COc1cc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000301640952 498202023 /nfs/dbraw/zinc/20/20/23/498202023.db2.gz YUKFYQBYCQFHRP-UHFFFAOYSA-N 0 3 359.401 3.455 20 5 FGBDHN Cc1nc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301662275 498211715 /nfs/dbraw/zinc/21/17/15/498211715.db2.gz NAOYLVSESCAVIS-GASCZTMLSA-N 0 3 362.474 3.014 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000301717703 498236964 /nfs/dbraw/zinc/23/69/64/498236964.db2.gz KYIKZZXEJIULQY-CRAIPNDOSA-N 0 3 359.401 3.029 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2cccnc2)CC1 ZINC000364980336 498238677 /nfs/dbraw/zinc/23/86/77/498238677.db2.gz ZXDAGEPKHAIULQ-UHFFFAOYSA-N 0 3 354.410 3.149 20 5 FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000285945160 498248293 /nfs/dbraw/zinc/24/82/93/498248293.db2.gz UZWQBZJHPVEKCC-WCQYABFASA-N 0 3 369.824 3.015 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000285945152 498248560 /nfs/dbraw/zinc/24/85/60/498248560.db2.gz UZWQBZJHPVEKCC-AAEUAGOBSA-N 0 3 369.824 3.015 20 5 FGBDHN CCc1nn(C)c(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301924731 498330625 /nfs/dbraw/zinc/33/06/25/498330625.db2.gz GINUNMJRVGRQTO-HOCLYGCPSA-N 0 3 357.458 3.356 20 5 FGBDHN COc1cc(CN(C)CCN(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000575907781 506030407 /nfs/dbraw/zinc/03/04/07/506030407.db2.gz SOXGRHGXYFYQQH-UHFFFAOYSA-N 0 3 373.453 3.176 20 5 FGBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccccc3Cl)CC2)nc1 ZINC000302173423 498428095 /nfs/dbraw/zinc/42/80/95/498428095.db2.gz VTWHXANPOKFUKH-UHFFFAOYSA-N 0 3 361.833 3.362 20 5 FGBDHN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293741570 498474025 /nfs/dbraw/zinc/47/40/25/498474025.db2.gz RLDMXVLZVBPGFA-GFCCVEGCSA-N 0 3 351.834 3.195 20 5 FGBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000331973006 498518770 /nfs/dbraw/zinc/51/87/70/498518770.db2.gz SLKHTUVSWIDDRV-LBPRGKRZSA-N 0 3 371.359 3.360 20 5 FGBDHN O=C(CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)Nc1ccccn1 ZINC000570028763 506073077 /nfs/dbraw/zinc/07/30/77/506073077.db2.gz OWWQLEDUFHEWLS-QGZVFWFLSA-N 0 3 354.410 3.376 20 5 FGBDHN CNC(=O)[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000578987633 506068013 /nfs/dbraw/zinc/06/80/13/506068013.db2.gz AAZCMHVOOAETBX-WMLDXEAASA-N 0 3 373.428 3.298 20 5 FGBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287330870 498719338 /nfs/dbraw/zinc/71/93/38/498719338.db2.gz VLELGULZCWESLU-ABAIWWIYSA-N 0 3 371.359 3.312 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000294546919 498725312 /nfs/dbraw/zinc/72/53/12/498725312.db2.gz SYPOGSHJTUZDLZ-UHFFFAOYSA-N 0 3 355.394 3.258 20 5 FGBDHN Cc1nccn1CCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283001972 498741396 /nfs/dbraw/zinc/74/13/96/498741396.db2.gz FQRNAYRMVBKTGS-UHFFFAOYSA-N 0 3 367.247 3.384 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311826404 498755091 /nfs/dbraw/zinc/75/50/91/498755091.db2.gz RHKYNAQZRWHHSO-GUYCJALGSA-N 0 3 357.385 3.127 20 5 FGBDHN COc1cc(OC)cc(OCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000576172655 506094218 /nfs/dbraw/zinc/09/42/18/506094218.db2.gz STDRHEOETQYZKA-GOSISDBHSA-N 0 3 358.394 3.268 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000287960646 498913661 /nfs/dbraw/zinc/91/36/61/498913661.db2.gz YRHJGYWVNQRFBC-HXUWFJFHSA-N 0 3 374.412 3.449 20 5 FGBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291475919 498955543 /nfs/dbraw/zinc/95/55/43/498955543.db2.gz MDSKTGGXEZCSAX-UHFFFAOYSA-N 0 3 358.225 3.258 20 5 FGBDHN COCC1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000291669185 499030538 /nfs/dbraw/zinc/03/05/38/499030538.db2.gz GBQGFPYTRNAWPQ-UHFFFAOYSA-N 0 3 360.410 3.388 20 5 FGBDHN CSc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1[N+](=O)[O-] ZINC000366936172 499119190 /nfs/dbraw/zinc/11/91/90/499119190.db2.gz VYVMTLMZBWDEHC-UHFFFAOYSA-N 0 3 361.398 3.354 20 5 FGBDHN Cc1c([C@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367270231 499170947 /nfs/dbraw/zinc/17/09/47/499170947.db2.gz KNKAPGRIWRSCGR-GOSISDBHSA-N 0 3 371.441 3.111 20 5 FGBDHN C[C@H](NC1(C2CC2)CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000367564651 499212827 /nfs/dbraw/zinc/21/28/27/499212827.db2.gz IZLBQXRWHVNUBT-NSHDSACASA-N 0 3 367.833 3.124 20 5 FGBDHN Cc1noc(C2(C)CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000367981108 499251831 /nfs/dbraw/zinc/25/18/31/499251831.db2.gz IUVKIDHDTNLNQO-UHFFFAOYSA-N 0 3 360.414 3.109 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3CSCCc4ccccc43)CC2)n1 ZINC000368038018 499258208 /nfs/dbraw/zinc/25/82/08/499258208.db2.gz OHBBQXQKBCCDBE-QGZVFWFLSA-N 0 3 358.467 3.459 20 5 FGBDHN CN1CC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369543398 499415143 /nfs/dbraw/zinc/41/51/43/499415143.db2.gz GGLYGHLRSDQNKM-WMLDXEAASA-N 0 3 374.466 3.149 20 5 FGBDHN COC(=O)C(C)(C)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570359959 506148629 /nfs/dbraw/zinc/14/86/29/506148629.db2.gz NSOPHXLVAOWTHD-UHFFFAOYSA-N 0 3 350.415 3.027 20 5 FGBDHN CC(C)(O)CN1CCc2c(cccc2NCc2cccc([N+](=O)[O-])c2)C1 ZINC000378646949 499540599 /nfs/dbraw/zinc/54/05/99/499540599.db2.gz HOCKNBKLLZBAKE-UHFFFAOYSA-N 0 3 355.438 3.336 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NCC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397598727 499564510 /nfs/dbraw/zinc/56/45/10/499564510.db2.gz MZNUJKYYJQHDBJ-UHFFFAOYSA-N 0 3 355.438 3.342 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNCCn2cncn2)cc1 ZINC000409519923 499602910 /nfs/dbraw/zinc/60/29/10/499602910.db2.gz HSVKIMFFOVAMMS-UHFFFAOYSA-N 0 3 373.800 3.422 20 5 FGBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000376729118 499632583 /nfs/dbraw/zinc/63/25/83/499632583.db2.gz OELLTQSJEIVSFH-YMTOWFKASA-N 0 3 358.225 3.068 20 5 FGBDHN Cc1nc(NC(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410554193 499667499 /nfs/dbraw/zinc/66/74/99/499667499.db2.gz QOWOKBGPSFXERM-GHMZBOCLSA-N 0 3 374.363 3.146 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](CO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000414202352 499768118 /nfs/dbraw/zinc/76/81/18/499768118.db2.gz ZASIEUDLRXRJOH-RHSMWYFYSA-N 0 3 374.437 3.429 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412175171 499830917 /nfs/dbraw/zinc/83/09/17/499830917.db2.gz ITIDTGZGCRTBMA-CVEARBPZSA-N 0 3 361.442 3.081 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412347733 499847222 /nfs/dbraw/zinc/84/72/22/499847222.db2.gz PLGGKIZGPWLWHK-ZBFHGGJFSA-N 0 3 361.442 3.081 20 5 FGBDHN Cc1ccc(Sc2ccc(CNC[C@H]3CNCCO3)cc2[N+](=O)[O-])cc1 ZINC000415099773 499863455 /nfs/dbraw/zinc/86/34/55/499863455.db2.gz ZEPDRWAUCDKDDQ-MRXNPFEDSA-N 0 3 373.478 3.132 20 5 FGBDHN COc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCCN(C)C ZINC000416344692 500022050 /nfs/dbraw/zinc/02/20/50/500022050.db2.gz VZBAQFLEIGMFFD-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@@H]2C1 ZINC000425285543 500065136 /nfs/dbraw/zinc/06/51/36/500065136.db2.gz OSXXQMWKKFDUML-FUHWJXTLSA-N 0 3 368.437 3.099 20 5 FGBDHN C[C@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000425457016 500112222 /nfs/dbraw/zinc/11/22/22/500112222.db2.gz KJUIRGPWEPESIO-GJZGRUSLSA-N 0 3 355.232 3.405 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000421894583 500171133 /nfs/dbraw/zinc/17/11/33/500171133.db2.gz UPXQXMMSTZPQNN-GOSISDBHSA-N 0 3 371.437 3.253 20 5 FGBDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000425665216 500175128 /nfs/dbraw/zinc/17/51/28/500175128.db2.gz URBZNEJWRCGRRG-IINYFYTJSA-N 0 3 372.347 3.172 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000430198810 500207936 /nfs/dbraw/zinc/20/79/36/500207936.db2.gz ACZJRSXBCKSGGR-LJQANCHMSA-N 0 3 355.438 3.310 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@@](O)(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000426533647 500285942 /nfs/dbraw/zinc/28/59/42/500285942.db2.gz SHBKVBIRJNVOJQ-IBGZPJMESA-N 0 3 358.394 3.210 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000427188986 500364929 /nfs/dbraw/zinc/36/49/29/500364929.db2.gz HFDZZTDWFSAVHW-SFHVURJKSA-N 0 3 369.421 3.170 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431957686 500447893 /nfs/dbraw/zinc/44/78/93/500447893.db2.gz XQJQHWNTZACFCZ-GASCZTMLSA-N 0 3 362.474 3.392 20 5 FGBDHN CN1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000420605197 500476412 /nfs/dbraw/zinc/47/64/12/500476412.db2.gz UMHTVASQNCJZBW-PXAZEXFGSA-N 0 3 374.466 3.250 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000428534373 500521682 /nfs/dbraw/zinc/52/16/82/500521682.db2.gz IHIPMMPNOCHJKP-UYAOXDASSA-N 0 3 374.412 3.388 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CCO)CC1 ZINC000421024543 500558271 /nfs/dbraw/zinc/55/82/71/500558271.db2.gz XQCACQLUSIOMGZ-KBPBESRZSA-N 0 3 360.414 3.190 20 5 FGBDHN CC(=O)Nc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447528735 500617982 /nfs/dbraw/zinc/61/79/82/500617982.db2.gz JZSSFBQJKBZXEN-IRXDYDNUSA-N 0 3 357.414 3.023 20 5 FGBDHN Cc1ccc(C(=O)NCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000447529018 500618013 /nfs/dbraw/zinc/61/80/13/500618013.db2.gz KOYZQMZREVZEBB-IBGZPJMESA-N 0 3 371.412 3.439 20 5 FGBDHN CCc1ccc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072043 500619573 /nfs/dbraw/zinc/61/95/73/500619573.db2.gz MVFKFIYKVAGUCV-ICSRJNTNSA-N 0 3 370.449 3.386 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963230 500697238 /nfs/dbraw/zinc/69/72/38/500697238.db2.gz MUXJROBDEFCOSV-WMLDXEAASA-N 0 3 362.474 3.384 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000448004331 500705405 /nfs/dbraw/zinc/70/54/05/500705405.db2.gz NLXVKESGGBXRDY-HNNXBMFYSA-N 0 3 368.865 3.168 20 5 FGBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000438286318 500763527 /nfs/dbraw/zinc/76/35/27/500763527.db2.gz VEOMBFRCBOKMPP-HNNXBMFYSA-N 0 3 373.453 3.132 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000439128833 500860779 /nfs/dbraw/zinc/86/07/79/500860779.db2.gz PMZSEVQXVREONJ-BBRMVZONSA-N 0 3 372.425 3.270 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC(C)(C)C1 ZINC000444616980 500867562 /nfs/dbraw/zinc/86/75/62/500867562.db2.gz KNXTTZBCQIMYNG-AWEZNQCLSA-N 0 3 365.499 3.314 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449105685 500926667 /nfs/dbraw/zinc/92/66/67/500926667.db2.gz DZDJTOSNQYQROV-ZIAGYGMSSA-N 0 3 362.451 3.280 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000439869357 500948602 /nfs/dbraw/zinc/94/86/02/500948602.db2.gz JCAQYLOHOKFYAC-ZIAGYGMSSA-N 0 3 364.446 3.235 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccncc1OC[C@H]1CCOC1 ZINC000449328132 500978964 /nfs/dbraw/zinc/97/89/64/500978964.db2.gz IEEJQGZZTJQKFT-CVEARBPZSA-N 0 3 371.437 3.126 20 5 FGBDHN COc1cc(CNC[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449494488 501017945 /nfs/dbraw/zinc/01/79/45/501017945.db2.gz NHRUODZMIOKQBA-CZUORRHYSA-N 0 3 352.431 3.153 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000449553612 501032486 /nfs/dbraw/zinc/03/24/86/501032486.db2.gz MEWGRHXBNNJEHX-XUJVJEKNSA-N 0 3 356.369 3.179 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC ZINC000449616280 501044655 /nfs/dbraw/zinc/04/46/55/501044655.db2.gz PEGJTJBXWSCTFZ-RHSMWYFYSA-N 0 3 373.409 3.017 20 5 FGBDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000445881602 501045766 /nfs/dbraw/zinc/04/57/66/501045766.db2.gz UNDQVXRYVGBHSW-ZDUSSCGKSA-N 0 3 359.348 3.051 20 5 FGBDHN CN(C)CCN(CC1CCCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446012383 501062499 /nfs/dbraw/zinc/06/24/99/501062499.db2.gz SADDMROPZPRLMG-UHFFFAOYSA-N 0 3 361.486 3.498 20 5 FGBDHN CCN1CCN(CC(C)(C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000449756533 501077319 /nfs/dbraw/zinc/07/73/19/501077319.db2.gz WJKVJUSXZZICBK-UHFFFAOYSA-N 0 3 362.518 3.224 20 5 FGBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000441076335 501084092 /nfs/dbraw/zinc/08/40/92/501084092.db2.gz DCYCIOKKPZEDTM-ICSRJNTNSA-N 0 3 370.449 3.460 20 5 FGBDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279473 501113526 /nfs/dbraw/zinc/11/35/26/501113526.db2.gz ARJSTQINIOVAAU-ZWNOBZJWSA-N 0 3 373.240 3.152 20 5 FGBDHN C[C@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000451107844 501246241 /nfs/dbraw/zinc/24/62/41/501246241.db2.gz TYVQWVGTYCOGAY-GUYCJALGSA-N 0 3 364.829 3.477 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451226992 501253609 /nfs/dbraw/zinc/25/36/09/501253609.db2.gz KIDXZSUTSPCWIE-HRCADAONSA-N 0 3 353.422 3.245 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000453245658 501297983 /nfs/dbraw/zinc/29/79/83/501297983.db2.gz LOCFSKPHUQPBQB-GUYCJALGSA-N 0 3 362.401 3.387 20 5 FGBDHN CC(C)[C@@H](CO)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000451589411 501331388 /nfs/dbraw/zinc/33/13/88/501331388.db2.gz AMFLKQBNCJCSPK-DYVFJYSZSA-N 0 3 371.865 3.065 20 5 FGBDHN CCCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000451648781 501343960 /nfs/dbraw/zinc/34/39/60/501343960.db2.gz GUUCIGWFPPGFEL-SJLPKXTDSA-N 0 3 363.458 3.253 20 5 FGBDHN CN1CCC(N(Cc2ccco2)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602667080 506254932 /nfs/dbraw/zinc/25/49/32/506254932.db2.gz MUHWBPAMIHQCBR-UHFFFAOYSA-N 0 3 370.409 3.425 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3ccc(F)cc3)o2)c1 ZINC000611681491 506255009 /nfs/dbraw/zinc/25/50/09/506255009.db2.gz DTZHBNMGURIWOG-KRWDZBQOSA-N 0 3 371.368 3.255 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452343358 501482175 /nfs/dbraw/zinc/48/21/75/501482175.db2.gz WYSDSAYMWGVITD-AWEZNQCLSA-N 0 3 353.850 3.489 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456342100 501503837 /nfs/dbraw/zinc/50/38/37/501503837.db2.gz QJWZRLMKRXHTDH-MRXNPFEDSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458887512 501553002 /nfs/dbraw/zinc/55/30/02/501553002.db2.gz JFBHALHGPKQDBV-HNNXBMFYSA-N 0 3 360.458 3.316 20 5 FGBDHN COc1ccc(CN2CC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000598992733 506267091 /nfs/dbraw/zinc/26/70/91/506267091.db2.gz CDAFOKJRQULLJK-LJQANCHMSA-N 0 3 355.438 3.276 20 5 FGBDHN COc1cc(CN[C@H](C(C)C)C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000459546734 501674274 /nfs/dbraw/zinc/67/42/74/501674274.db2.gz VCJRVBUTTOAAQF-QGZVFWFLSA-N 0 3 354.422 3.409 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cnn(C)c1)CC(C)C ZINC000459594751 501684020 /nfs/dbraw/zinc/68/40/20/501684020.db2.gz LRENTZMJXGKHEG-UHFFFAOYSA-N 0 3 373.457 3.124 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459649546 501692904 /nfs/dbraw/zinc/69/29/04/501692904.db2.gz VYVNETJKFMQYLB-CABCVRRESA-N 0 3 356.426 3.318 20 5 FGBDHN C[C@@H](Cc1cccc(F)c1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763828 501710704 /nfs/dbraw/zinc/71/07/04/501710704.db2.gz XHRGQYNQWMEWDJ-KSSFIOAISA-N 0 3 362.401 3.037 20 5 FGBDHN Cc1ccncc1CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602711961 506269934 /nfs/dbraw/zinc/26/99/34/506269934.db2.gz VWPQTDARLXQAJP-UHFFFAOYSA-N 0 3 356.245 3.455 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000474342912 501797449 /nfs/dbraw/zinc/79/74/49/501797449.db2.gz AVCHGUBCWAXUPM-HOTGVXAUSA-N 0 3 362.426 3.205 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474380185 501814492 /nfs/dbraw/zinc/81/44/92/501814492.db2.gz SWFHRSVKOXELNO-AWEZNQCLSA-N 0 3 358.394 3.306 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000474427542 501832335 /nfs/dbraw/zinc/83/23/35/501832335.db2.gz BGBFIBGMYVSWLR-CQSZACIVSA-N 0 3 372.425 3.245 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000474461745 501844016 /nfs/dbraw/zinc/84/40/16/501844016.db2.gz WYQYQSUOHVMVJV-KRWDZBQOSA-N 0 3 372.425 3.336 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000464084000 501894644 /nfs/dbraw/zinc/89/46/44/501894644.db2.gz WPVFDEJJTYLBFY-SJORKVTESA-N 0 3 352.431 3.294 20 5 FGBDHN C[C@H](CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969283 502007277 /nfs/dbraw/zinc/00/72/77/502007277.db2.gz BMAGZRUXYHCOIZ-SJLPKXTDSA-N 0 3 370.453 3.471 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086803 502050160 /nfs/dbraw/zinc/05/01/60/502050160.db2.gz IUFIUAGZPPHRBX-AUUYWEPGSA-N 0 3 362.426 3.159 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000468488424 502078363 /nfs/dbraw/zinc/07/83/63/502078363.db2.gz PMFJACSORRMKHJ-GOSISDBHSA-N 0 3 374.485 3.045 20 5 FGBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475308226 502127904 /nfs/dbraw/zinc/12/79/04/502127904.db2.gz MROAHXDIGKJQQS-FQEVSTJZSA-N 0 3 367.449 3.260 20 5 FGBDHN COc1cccc(C(=O)NCCNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468627116 502130729 /nfs/dbraw/zinc/13/07/29/502130729.db2.gz CIGXCAISZDMSCU-RVDMUPIBSA-N 0 3 369.421 3.026 20 5 FGBDHN Cc1cccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000475319882 502133140 /nfs/dbraw/zinc/13/31/40/502133140.db2.gz JEHBHKZAZPIVBR-KRWDZBQOSA-N 0 3 353.422 3.250 20 5 FGBDHN Cc1cccc(CC2(O)CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000482930361 502219916 /nfs/dbraw/zinc/21/99/16/502219916.db2.gz UAJPXVVRICQULD-UHFFFAOYSA-N 0 3 370.449 3.352 20 5 FGBDHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCCC1 ZINC000486711304 502240446 /nfs/dbraw/zinc/24/04/46/502240446.db2.gz MBVICJQUVCGTOT-GFCCVEGCSA-N 0 3 373.375 3.494 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475663589 502245745 /nfs/dbraw/zinc/24/57/45/502245745.db2.gz XHIQKPAUTRVDHZ-FQEVSTJZSA-N 0 3 356.422 3.043 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCc2ccc(OCC(F)(F)F)nc2)c(F)c1 ZINC000479588729 502307866 /nfs/dbraw/zinc/30/78/66/502307866.db2.gz HFDRDOBTTJPQJH-UHFFFAOYSA-N 0 3 373.306 3.402 20 5 FGBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000475911945 502330063 /nfs/dbraw/zinc/33/00/63/502330063.db2.gz PQSSWSDJMMQAJS-CQSZACIVSA-N 0 3 363.458 3.234 20 5 FGBDHN CN1C(=O)c2ccccc2[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599074831 506311389 /nfs/dbraw/zinc/31/13/89/506311389.db2.gz QMRGKOCGRDJWDD-RBUKOAKNSA-N 0 3 351.406 3.389 20 5 FGBDHN Cn1ncc(Br)c1CNCCCCc1ccc([N+](=O)[O-])cc1 ZINC000487324202 502417853 /nfs/dbraw/zinc/41/78/53/502417853.db2.gz TVRMXZZPOVKBDS-UHFFFAOYSA-N 0 3 367.247 3.203 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000462603432 502503210 /nfs/dbraw/zinc/50/32/10/502503210.db2.gz PNZQMACXJAWEHS-NVXWUHKLSA-N 0 3 361.486 3.352 20 5 FGBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000466243610 502514246 /nfs/dbraw/zinc/51/42/46/502514246.db2.gz VIXGTCCJOHWKEJ-OLZOCXBDSA-N 0 3 368.865 3.168 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000462991338 502652488 /nfs/dbraw/zinc/65/24/88/502652488.db2.gz CHUGKDOGWPMZGQ-MJGOQNOKSA-N 0 3 359.470 3.250 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137093 502673733 /nfs/dbraw/zinc/67/37/33/502673733.db2.gz REFRGVZVWVZEGO-SCLBCKFNSA-N 0 3 372.400 3.376 20 5 FGBDHN Cc1cnc(NCc2ccc(OCCN3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000463057995 502678624 /nfs/dbraw/zinc/67/86/24/502678624.db2.gz XXWOLVQLZLCCRY-UHFFFAOYSA-N 0 3 356.426 3.385 20 5 FGBDHN CC[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466945926 502735888 /nfs/dbraw/zinc/73/58/88/502735888.db2.gz GGJHOFIAHSWQAW-PKOBYXMFSA-N 0 3 356.422 3.171 20 5 FGBDHN O=[N+]([O-])c1ccc(NCCCOC2CCN(Cc3ccccc3)CC2)cn1 ZINC000484816227 502746476 /nfs/dbraw/zinc/74/64/76/502746476.db2.gz DLVXHZFWXOMFCN-UHFFFAOYSA-N 0 3 370.453 3.473 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771193 506333594 /nfs/dbraw/zinc/33/35/94/506333594.db2.gz DMJROHBOIQRPNW-JXFKEZNVSA-N 0 3 367.449 3.307 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000463408194 502787289 /nfs/dbraw/zinc/78/72/89/502787289.db2.gz COJGTFQLKDSJMH-XKQJLSEDSA-N 0 3 363.458 3.412 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000463443418 502806998 /nfs/dbraw/zinc/80/69/98/502806998.db2.gz OHNXYABNTPUSMM-NRFANRHFSA-N 0 3 370.449 3.291 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513222877 502882593 /nfs/dbraw/zinc/88/25/93/502882593.db2.gz 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3 352.438 3.401 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCc2c(F)cccc21 ZINC000565889170 505018680 /nfs/dbraw/zinc/01/86/80/505018680.db2.gz ZJMXBAAOAAXILA-CXAGYDPISA-N 0 3 360.385 3.141 20 5 FGBDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566525950 505195543 /nfs/dbraw/zinc/19/55/43/505195543.db2.gz AHMCBTNUTHACLE-PXNSSMCTSA-N 0 3 374.437 3.426 20 5 FGBDHN CSc1cccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000558011044 505284153 /nfs/dbraw/zinc/28/41/53/505284153.db2.gz LZBSRWKTSOHFNR-UMVBOHGHSA-N 0 3 363.483 3.119 20 5 FGBDHN CCc1cc(N2CCN(CC)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561357195 505324216 /nfs/dbraw/zinc/32/42/16/505324216.db2.gz UFAMJOMPRPSXPP-CQSZACIVSA-N 0 3 355.442 3.145 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000558175413 505327385 /nfs/dbraw/zinc/32/73/85/505327385.db2.gz KYKFFPZWHDROSO-HXUWFJFHSA-N 0 3 374.412 3.040 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c([N+](=O)[O-])c1 ZINC000561436339 505344767 /nfs/dbraw/zinc/34/47/67/505344767.db2.gz BTCGQMNRKNAUFF-IFXJQAMLSA-N 0 3 370.453 3.366 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000561527788 505368588 /nfs/dbraw/zinc/36/85/88/505368588.db2.gz RASZUYDIRCABMK-PBHICJAKSA-N 0 3 374.384 3.498 20 5 FGBDHN Cn1cc(CN[C@H]2CCc3cc(N)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567249505 505407787 /nfs/dbraw/zinc/40/77/87/505407787.db2.gz IJVDSXJVKJBWQH-IBGZPJMESA-N 0 3 363.421 3.355 20 5 FGBDHN C[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000567262200 505410931 /nfs/dbraw/zinc/41/09/31/505410931.db2.gz GGABZVLBNFTHQL-CYBMUJFWSA-N 0 3 361.373 3.120 20 5 FGBDHN CSc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561759933 505428849 /nfs/dbraw/zinc/42/88/49/505428849.db2.gz FKNMLMHIIKKCOU-KCQAQPDRSA-N 0 3 363.483 3.119 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000558742959 505479928 /nfs/dbraw/zinc/47/99/28/505479928.db2.gz QMYAZWYTJRZRIX-CRAIPNDOSA-N 0 3 368.437 3.230 20 5 FGBDHN O=C([C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)N1CCCC1 ZINC000589204796 506483826 /nfs/dbraw/zinc/48/38/26/506483826.db2.gz ISEMPIXHMMQIQO-INIZCTEOSA-N 0 3 369.421 3.299 20 5 FGBDHN CCC1(CC)[C@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1OC ZINC000589508289 506574040 /nfs/dbraw/zinc/57/40/40/506574040.db2.gz GDMDECBSERIBMG-HZPDHXFCSA-N 0 3 350.415 3.065 20 5 FGBDHN O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2nnc[n-]2)c2ccccc2)cc1 ZINC000583149764 506617016 /nfs/dbraw/zinc/61/70/16/506617016.db2.gz DTYSRUQTYBXWDO-SFHVURJKSA-N 0 3 351.410 3.415 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C2)C1 ZINC000599840953 506673946 /nfs/dbraw/zinc/67/39/46/506673946.db2.gz WFOAZGCYNXBTAK-LJQANCHMSA-N 0 3 369.425 3.093 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000583259039 506681378 /nfs/dbraw/zinc/68/13/78/506681378.db2.gz ZIPXIYRKQPZEJZ-AZUAARDMSA-N 0 3 356.422 3.140 20 5 FGBDHN Cc1nccc([C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604013602 506685301 /nfs/dbraw/zinc/68/53/01/506685301.db2.gz TZQBDGPLVMMXOW-MRXNPFEDSA-N 0 3 356.426 3.342 20 5 FGBDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122361 506721928 /nfs/dbraw/zinc/72/19/28/506721928.db2.gz LSBRFKKXXUWEPW-YJBOKZPZSA-N 0 3 368.437 3.230 20 5 FGBDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000593673378 506722806 /nfs/dbraw/zinc/72/28/06/506722806.db2.gz HBTZGUWWYUIPMH-CHWSQXEVSA-N 0 3 366.801 3.090 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](N2CCCC2)C1 ZINC000590227095 506770151 /nfs/dbraw/zinc/77/01/51/506770151.db2.gz XVDMHEUOVHMENJ-CYBMUJFWSA-N 0 3 371.359 3.314 20 5 FGBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590444301 506824476 /nfs/dbraw/zinc/82/44/76/506824476.db2.gz ODLUTSZZMMJXKI-HNAYVOBHSA-N 0 3 366.421 3.115 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@@H]4COC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232374 506850214 /nfs/dbraw/zinc/85/02/14/506850214.db2.gz UIPINGAZPDKKHB-KGLIPLIRSA-N 0 3 358.394 3.332 20 5 FGBDHN CC(C)(C(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600228417 506859861 /nfs/dbraw/zinc/85/98/61/506859861.db2.gz LTDKQSXJNUQYDP-SFHVURJKSA-N 0 3 359.470 3.396 20 5 FGBDHN C[C@@H]1[C@@H](N(C)C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000590568148 506863097 /nfs/dbraw/zinc/86/30/97/506863097.db2.gz BCMSISFGNSQJAW-PBHICJAKSA-N 0 3 353.422 3.355 20 5 FGBDHN COc1cc(CN[C@@H](CC(=O)OC(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000594045831 506904132 /nfs/dbraw/zinc/90/41/32/506904132.db2.gz KYXRAJJXTGVXOZ-AWEZNQCLSA-N 0 3 356.394 3.198 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195974 506999191 /nfs/dbraw/zinc/99/91/91/506999191.db2.gz JORSQDDTSMHOGR-ZIAGYGMSSA-N 0 3 351.834 3.303 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198704 507002570 /nfs/dbraw/zinc/00/25/70/507002570.db2.gz VDMUJRFDEPEFPT-HIFRSBDPSA-N 0 3 371.359 3.360 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000609855329 507025029 /nfs/dbraw/zinc/02/50/29/507025029.db2.gz NBBLXGOYJOBRJD-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000590920371 507029711 /nfs/dbraw/zinc/02/97/11/507029711.db2.gz QYODVQHQCKGGNB-AWEZNQCLSA-N 0 3 361.467 3.350 20 5 FGBDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583898793 507039016 /nfs/dbraw/zinc/03/90/16/507039016.db2.gz LZULQLDDYCXUMY-JKSUJKDBSA-N 0 3 371.437 3.150 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCN1CCCC1)c1ccccc1 ZINC000610052821 507083927 /nfs/dbraw/zinc/08/39/27/507083927.db2.gz WFTSFRJLTWGZSM-UHFFFAOYSA-N 0 3 353.422 3.266 20 5 FGBDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000610272897 507170271 /nfs/dbraw/zinc/17/02/71/507170271.db2.gz ZLKCNMSMAJNGQA-IFIJOSMWSA-N 0 3 371.462 3.422 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600994809 507218913 /nfs/dbraw/zinc/21/89/13/507218913.db2.gz AEJMGHIPZZKOIU-UHFFFAOYSA-N 0 3 371.412 3.171 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601000391 507222889 /nfs/dbraw/zinc/22/28/89/507222889.db2.gz UJMBHJHXQPSZDS-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610514725 507273260 /nfs/dbraw/zinc/27/32/60/507273260.db2.gz PZGIXMSMVLPLQW-UHFFFAOYSA-N 0 3 360.483 3.406 20 5 FGBDHN COC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000594956175 507331597 /nfs/dbraw/zinc/33/15/97/507331597.db2.gz GCSATIYDONJSSW-KRWDZBQOSA-N 0 3 360.410 3.386 20 5 FGBDHN COc1ccc(N2C[C@@H](NC/C=C/c3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000594967026 507334910 /nfs/dbraw/zinc/33/49/10/507334910.db2.gz VIDCYLUSPLADFM-NBUZRDOWSA-N 0 3 367.405 3.012 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000598262478 507349518 /nfs/dbraw/zinc/34/95/18/507349518.db2.gz KTTZHGLFFVTOGJ-AWEZNQCLSA-N 0 3 365.449 3.248 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000595010167 507352680 /nfs/dbraw/zinc/35/26/80/507352680.db2.gz HXUBBDVNKYMOHI-VXGBXAGGSA-N 0 3 361.364 3.138 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000595013677 507353161 /nfs/dbraw/zinc/35/31/61/507353161.db2.gz RCYTVBMOWGYKIM-ZDUSSCGKSA-N 0 3 363.458 3.291 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000591768186 507353571 /nfs/dbraw/zinc/35/35/71/507353571.db2.gz LBABIJBRZSZDIM-AUUYWEPGSA-N 0 3 360.385 3.141 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1nn(C)c2ccccc12 ZINC000595032413 507361380 /nfs/dbraw/zinc/36/13/80/507361380.db2.gz JKWPQPVNVDFXAC-ZDUSSCGKSA-N 0 3 354.410 3.383 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065315 507375041 /nfs/dbraw/zinc/37/50/41/507375041.db2.gz AACYOYWIKRVWKM-QRWLVFNGSA-N 0 3 355.438 3.012 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000601516074 507376832 /nfs/dbraw/zinc/37/68/32/507376832.db2.gz KSSFVXFVHOXMOT-SCLBCKFNSA-N 0 3 359.401 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CCC2 ZINC000595095230 507388933 /nfs/dbraw/zinc/38/89/33/507388933.db2.gz HGCUWVLGFIOPCL-VAMGGRTRSA-N 0 3 371.481 3.205 20 5 FGBDHN Cc1noc(CN(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595341531 507466672 /nfs/dbraw/zinc/46/66/72/507466672.db2.gz CEKCASPLQUFWSP-PBHICJAKSA-N 0 3 358.442 3.376 20 5 FGBDHN CC(C)CC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132241 507497743 /nfs/dbraw/zinc/49/77/43/507497743.db2.gz DKSGBLGOIAUUTA-FHWLQOOXSA-N 0 3 364.486 3.497 20 5 FGBDHN CC(C)(C)[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132481 507497832 /nfs/dbraw/zinc/49/78/32/507497832.db2.gz HAMDGZJGCIVGEC-JFIYKMOQSA-N 0 3 350.459 3.107 20 5 FGBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212435 507563245 /nfs/dbraw/zinc/56/32/45/507563245.db2.gz RZPICYKIGLDYJI-UHFFFAOYSA-N 0 3 363.483 3.455 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC=C(c3ccccc3)C2)c1 ZINC000585756041 507617560 /nfs/dbraw/zinc/61/75/60/507617560.db2.gz XJTQWLROQKMPCF-LJQANCHMSA-N 0 3 354.406 3.124 20 5 FGBDHN C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000611345886 507632696 /nfs/dbraw/zinc/63/26/96/507632696.db2.gz HOVJEOZQXNHSCU-MTJIALIYSA-N 0 3 370.405 3.409 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404310 507664554 /nfs/dbraw/zinc/66/45/54/507664554.db2.gz GJTXKVPSVVEKBJ-LPHOPBHVSA-N 0 3 357.454 3.047 20 5 FGBDHN COc1ccc(OCCN2CCC([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000595790487 507686711 /nfs/dbraw/zinc/68/67/11/507686711.db2.gz VWFADULLEZWZIP-SFHVURJKSA-N 0 3 364.442 3.263 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC3(CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000595806967 507695768 /nfs/dbraw/zinc/69/57/68/507695768.db2.gz NLKRURXVAVZZMG-UHFFFAOYSA-N 0 3 359.426 3.067 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ccon2)CC1 ZINC000595829215 507703837 /nfs/dbraw/zinc/70/38/37/507703837.db2.gz RNRPXWBQCZVYHC-UHFFFAOYSA-N 0 3 358.398 3.099 20 5 FGBDHN COc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000611515375 507716318 /nfs/dbraw/zinc/71/63/18/507716318.db2.gz WJFMNVMZEZYYQU-CALCHBBNSA-N 0 3 353.422 3.172 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc4ccccc4o3)CC2)cn1 ZINC000602514049 507733507 /nfs/dbraw/zinc/73/35/07/507733507.db2.gz KTYBEPIOIHKTQS-UHFFFAOYSA-N 0 3 352.394 3.495 20 5 FGBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000588061373 507749655 /nfs/dbraw/zinc/74/96/55/507749655.db2.gz FRJPULPFOJPLOU-KBPBESRZSA-N 0 3 373.375 3.303 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)nc1-c1ccc(F)cc1 ZINC000485391594 561318184 /nfs/dbraw/zinc/31/81/84/561318184.db2.gz RCMPMUKOPCYEHA-MRXNPFEDSA-N 0 3 374.416 3.055 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000748820241 722705777 /nfs/dbraw/zinc/70/57/77/722705777.db2.gz HYBKXQQIBUKYFG-OAHLLOKOSA-N 0 3 356.300 3.317 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccccc2Br)cc1 ZINC000751575269 722814319 /nfs/dbraw/zinc/81/43/19/722814319.db2.gz MVGBJSOMCBIMIQ-HNNXBMFYSA-N 0 3 351.200 3.181 20 5 FGBDHN CN1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000758271729 722987474 /nfs/dbraw/zinc/98/74/74/722987474.db2.gz HHMSQGUWMGYBDY-DLBZAZTESA-N 0 3 356.451 3.327 20 5 FGBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000790963780 723200161 /nfs/dbraw/zinc/20/01/61/723200161.db2.gz GHHIBTPTBYYGFA-CYBMUJFWSA-N 0 3 369.824 3.063 20 5 FGBDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791579540 723260430 /nfs/dbraw/zinc/26/04/30/723260430.db2.gz RBUHTOCVEAZZSA-MWLCHTKSSA-N 0 3 363.311 3.335 20 5 FGBDHN C[C@@H]1CN(CCCNc2nc3ccc([N+](=O)[O-])cc3s2)CCCO1 ZINC000763056293 723307304 /nfs/dbraw/zinc/30/73/04/723307304.db2.gz JKLFQABARMLYCR-GFCCVEGCSA-N 0 3 350.444 3.117 20 5 FGBDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000776828078 724186979 /nfs/dbraw/zinc/18/69/79/724186979.db2.gz OOWZZXMENSUHDZ-CHWSQXEVSA-N 0 3 353.394 3.081 20 5 FGBDHN CN(C)CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000778027510 724286267 /nfs/dbraw/zinc/28/62/67/724286267.db2.gz GCCKCVDEBUCMPI-UHFFFAOYSA-N 0 3 355.385 3.019 20 5 FGBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000807787602 725169485 /nfs/dbraw/zinc/16/94/85/725169485.db2.gz YSBFEAOBSXIQMH-MRXNPFEDSA-N 0 3 365.792 3.420 20 5 FGBDHN CC(COC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[N+](=O)[O-] ZINC000813101544 726839104 /nfs/dbraw/zinc/83/91/04/726839104.db2.gz DAEZCEATEVLRTD-YUMQZZPRSA-N 0 3 366.595 3.078 20 5 FGBDHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104827 726839445 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20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCCN(C4CC4)CC3)cs2)c1 ZINC000179728090 495708045 /nfs/dbraw/zinc/70/80/45/495708045.db2.gz BGHLCULCMMKSGO-UHFFFAOYSA-N 0 3 358.467 3.388 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000182843353 495724160 /nfs/dbraw/zinc/72/41/60/495724160.db2.gz BUYNFCVLBOWCGA-YPMHNXCESA-N 0 3 371.890 3.281 20 5 FGBDHN NC(=O)CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000159736778 495797817 /nfs/dbraw/zinc/79/78/17/495797817.db2.gz FOTQVLSPCXEPCX-UHFFFAOYSA-N 0 3 359.451 3.411 20 5 FGBDHN CO[C@](C)(CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000574567198 505804123 /nfs/dbraw/zinc/80/41/23/505804123.db2.gz XUNPSPTWMUFGOG-LJQANCHMSA-N 0 3 357.410 3.075 20 5 FGBDHN O=C1CCCN1CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180007670 495819846 /nfs/dbraw/zinc/81/98/46/495819846.db2.gz MGPZNWYRQLCQMV-FQEVSTJZSA-N 0 3 353.422 3.286 20 5 FGBDHN Cc1c([C@@H](C)[NH2+]CCCNC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000155059405 495820191 /nfs/dbraw/zinc/82/01/91/495820191.db2.gz NZTBYIMPYMYSLH-CQSZACIVSA-N 0 3 357.410 3.080 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000186145216 495872644 /nfs/dbraw/zinc/87/26/44/495872644.db2.gz BLGKKKROGLDNPQ-AHRSYUTCSA-N 0 3 372.421 3.318 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCCC2)c1 ZINC000186244656 495911538 /nfs/dbraw/zinc/91/15/38/495911538.db2.gz HTQPJPULYCCOJQ-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN Cc1c2ccccc2oc1[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183276937 495912172 /nfs/dbraw/zinc/91/21/72/495912172.db2.gz MHDPTNUAUPQSHZ-CRAIPNDOSA-N 0 3 372.425 3.194 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177144714 495947429 /nfs/dbraw/zinc/94/74/29/495947429.db2.gz APCVTFPXYGKMOF-YPMHNXCESA-N 0 3 372.450 3.073 20 5 FGBDHN COc1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000177149904 495948977 /nfs/dbraw/zinc/94/89/77/495948977.db2.gz IQIJXCTYYCHVHQ-GOSISDBHSA-N 0 3 356.422 3.437 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cccc4c3OCCO4)c2c1 ZINC000577894408 505813827 /nfs/dbraw/zinc/81/38/27/505813827.db2.gz GVCIRKSWWSVMGD-UHFFFAOYSA-N 0 3 353.378 3.180 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](C)C1 ZINC000180454430 496002225 /nfs/dbraw/zinc/00/22/25/496002225.db2.gz MDAILVNTFOSUCE-RYUDHWBXSA-N 0 3 371.384 3.046 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)O1 ZINC000151977398 496011069 /nfs/dbraw/zinc/01/10/69/496011069.db2.gz IVYWLZDKJHLLAE-CHWSQXEVSA-N 0 3 373.400 3.498 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000151979024 496011388 /nfs/dbraw/zinc/01/13/88/496011388.db2.gz CJUGKLBWEVSDQG-HUUCEWRRSA-N 0 3 351.447 3.043 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000574629712 505819198 /nfs/dbraw/zinc/81/91/98/505819198.db2.gz VJYQNADGLATTPF-OAHLLOKOSA-N 0 3 362.430 3.086 20 5 FGBDHN CCCN(CC)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000174649245 496046057 /nfs/dbraw/zinc/04/60/57/496046057.db2.gz HSLPDJVQDIVBNX-UHFFFAOYSA-N 0 3 365.477 3.003 20 5 FGBDHN Cc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000180626796 496074669 /nfs/dbraw/zinc/07/46/69/496074669.db2.gz BHDRWZJRIOIHJX-UHFFFAOYSA-N 0 3 369.425 3.336 20 5 FGBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180634187 496078676 /nfs/dbraw/zinc/07/86/76/496078676.db2.gz ZMJGIANVIBWVBY-DLBZAZTESA-N 0 3 358.394 3.140 20 5 FGBDHN CC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180634165 496078823 /nfs/dbraw/zinc/07/88/23/496078823.db2.gz ZMJGIANVIBWVBY-SJORKVTESA-N 0 3 358.394 3.140 20 5 FGBDHN CC(C)N(CCN(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180684615 496104359 /nfs/dbraw/zinc/10/43/59/496104359.db2.gz XKSWHBQDGSNISJ-UHFFFAOYSA-N 0 3 360.361 3.000 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H](C)[C@H](CO)SC)o2)c([N+](=O)[O-])c1 ZINC000152438464 496151646 /nfs/dbraw/zinc/15/16/46/496151646.db2.gz PPFCDGXQMUVMSX-DIFFPNOSSA-N 0 3 366.439 3.065 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174915980 496163093 /nfs/dbraw/zinc/16/30/93/496163093.db2.gz RMGRDYISHZDPFQ-KRWDZBQOSA-N 0 3 353.422 3.189 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000152513392 496174266 /nfs/dbraw/zinc/17/42/66/496174266.db2.gz IZWFVJQARHMPSX-LJQANCHMSA-N 0 3 355.438 3.337 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152696777 496230276 /nfs/dbraw/zinc/23/02/76/496230276.db2.gz ODMSQXMGYCWPFE-CRAIPNDOSA-N 0 3 365.474 3.001 20 5 FGBDHN CCNC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000152755412 496246466 /nfs/dbraw/zinc/24/64/66/496246466.db2.gz UMHABNUHQRSBLI-AWEZNQCLSA-N 0 3 374.466 3.217 20 5 FGBDHN CC(=O)N1CC[C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000152902802 496290654 /nfs/dbraw/zinc/29/06/54/496290654.db2.gz FCLCGOMKLPKSGQ-QGZVFWFLSA-N 0 3 368.437 3.073 20 5 FGBDHN CCOC(=O)CC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000162216953 496316349 /nfs/dbraw/zinc/31/63/49/496316349.db2.gz RLYZDMZNNCELBU-OAHLLOKOSA-N 0 3 350.415 3.029 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000153174345 496374456 /nfs/dbraw/zinc/37/44/56/496374456.db2.gz AFNCRAQXHIHPQN-NVXWUHKLSA-N 0 3 374.437 3.392 20 5 FGBDHN Cc1oc2ccccc2c1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578007329 505840192 /nfs/dbraw/zinc/84/01/92/505840192.db2.gz LOUJQCMDWDVKEL-OAHLLOKOSA-N 0 3 356.378 3.179 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1ccccc1OCCO)C1CC1 ZINC000162828465 496418581 /nfs/dbraw/zinc/41/85/81/496418581.db2.gz RUVRDORAGSSVKS-SFHVURJKSA-N 0 3 356.422 3.077 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C(F)(F)F)c1 ZINC000181603186 496465866 /nfs/dbraw/zinc/46/58/66/496465866.db2.gz ZVIRVVIODDHXSL-LLVKDONJSA-N 0 3 355.316 3.126 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNCCc1ccc(OCC(F)(F)F)nc1 ZINC000187573109 496495948 /nfs/dbraw/zinc/49/59/48/496495948.db2.gz ZSOBKMOYKCVALE-UHFFFAOYSA-N 0 3 355.316 3.263 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173048083 496532533 /nfs/dbraw/zinc/53/25/33/496532533.db2.gz SIZIUGOXFNIFAY-MRXNPFEDSA-N 0 3 367.449 3.479 20 5 FGBDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821911 496559130 /nfs/dbraw/zinc/55/91/30/496559130.db2.gz GXMVLDAFQBHTBN-KDOFPFPSSA-N 0 3 372.421 3.196 20 5 FGBDHN C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173304243 496633812 /nfs/dbraw/zinc/63/38/12/496633812.db2.gz MLXVVKRPUDEFJM-OXQOHEQNSA-N 0 3 355.438 3.319 20 5 FGBDHN CC(C)Sc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182110954 496673369 /nfs/dbraw/zinc/67/33/69/496673369.db2.gz DIAXWNNKEDXRJR-XJKSGUPXSA-N 0 3 364.471 3.004 20 5 FGBDHN C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264704 496723540 /nfs/dbraw/zinc/72/35/40/496723540.db2.gz AADGBAVSVWBNJR-YWZLYKJASA-N 0 3 355.438 3.012 20 5 FGBDHN Cn1cc(CN2CCC([C@@H]3CCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188257789 496731974 /nfs/dbraw/zinc/73/19/74/496731974.db2.gz ICBVLMXIDOSJSM-IBGZPJMESA-N 0 3 370.453 3.386 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000569148584 505863633 /nfs/dbraw/zinc/86/36/33/505863633.db2.gz APQDWTVCESAXBV-HNNXBMFYSA-N 0 3 362.813 3.267 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000247341825 496841155 /nfs/dbraw/zinc/84/11/55/496841155.db2.gz SKEAIBULBUQXFB-MJGOQNOKSA-N 0 3 360.385 3.311 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000192140465 497010086 /nfs/dbraw/zinc/01/00/86/497010086.db2.gz MFPBTLAPHSAWLR-ROUUACIJSA-N 0 3 364.348 3.372 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000192661455 497178398 /nfs/dbraw/zinc/17/83/98/497178398.db2.gz JIBISGCUVMEJIT-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192791025 497215040 /nfs/dbraw/zinc/21/50/40/497215040.db2.gz AIGVJHSEEDCZMX-LJQANCHMSA-N 0 3 374.462 3.307 20 5 FGBDHN CC(C)N1CCN(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270951566 497232250 /nfs/dbraw/zinc/23/22/50/497232250.db2.gz SWZUVDJUSIMMKG-QGZVFWFLSA-N 0 3 360.502 3.146 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000237623726 497264616 /nfs/dbraw/zinc/26/46/16/497264616.db2.gz OBKVFVANFJWBFG-CALCHBBNSA-N 0 3 369.465 3.494 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(CCc2ccccc2)CC1 ZINC000255560774 497370276 /nfs/dbraw/zinc/37/02/76/497370276.db2.gz GKCHNAJTLCFQEG-POHAHGRESA-N 0 3 351.450 3.468 20 5 FGBDHN CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)C1CCN(C)CC1 ZINC000193404494 497371486 /nfs/dbraw/zinc/37/14/86/497371486.db2.gz RHAGFSAXHLAOSZ-UHFFFAOYSA-N 0 3 374.466 3.439 20 5 FGBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000245433789 497403840 /nfs/dbraw/zinc/40/38/40/497403840.db2.gz PJTTZDGNNIPNTF-KDOFPFPSSA-N 0 3 360.410 3.123 20 5 FGBDHN COc1cc(CNCC2(SC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279465341 497445811 /nfs/dbraw/zinc/44/58/11/497445811.db2.gz UYBPEEWVHBSJRN-UHFFFAOYSA-N 0 3 362.398 3.233 20 5 FGBDHN Cc1n[nH]c(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000272455379 497633994 /nfs/dbraw/zinc/63/39/94/497633994.db2.gz UCYPGZKFGXPRLP-UHFFFAOYSA-N 0 3 361.789 3.267 20 5 FGBDHN COc1cc(CNCCCOC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272489031 497642865 /nfs/dbraw/zinc/64/28/65/497642865.db2.gz UHLPGVJSFDAZFO-UHFFFAOYSA-N 0 3 362.373 3.152 20 5 FGBDHN CCc1nn(C)c(Nc2cccc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000572437416 505968446 /nfs/dbraw/zinc/96/84/46/505968446.db2.gz DDYKNWJPOOAQQC-UHFFFAOYSA-N 0 3 372.473 3.165 20 5 FGBDHN Cc1cccc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364662130 498075077 /nfs/dbraw/zinc/07/50/77/498075077.db2.gz KQCDXYGBDYEVRA-LPHOPBHVSA-N 0 3 368.437 3.063 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292991088 498225184 /nfs/dbraw/zinc/22/51/84/498225184.db2.gz NZWHVHPPDVRIQV-LIRRHRJNSA-N 0 3 371.441 3.124 20 5 FGBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364996537 498246647 /nfs/dbraw/zinc/24/66/47/498246647.db2.gz AUHTUCLKENTHTJ-FUHWJXTLSA-N 0 3 371.437 3.129 20 5 FGBDHN Cc1cc(N(C)[C@@H]2CCN(C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833379 498285604 /nfs/dbraw/zinc/28/56/04/498285604.db2.gz SCEDEBRVUKMZCI-SUMWQHHRSA-N 0 3 355.442 3.137 20 5 FGBDHN Cc1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835550 498286671 /nfs/dbraw/zinc/28/66/71/498286671.db2.gz ULBFCYQPSKETHD-UKRRQHHQSA-N 0 3 353.426 3.397 20 5 FGBDHN CCOc1cc(CN2CCC[C@@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190719 498343801 /nfs/dbraw/zinc/34/38/01/498343801.db2.gz IOMWSVWLIHSOER-HNNXBMFYSA-N 0 3 358.442 3.182 20 5 FGBDHN Cc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N2CCCC2)cc1 ZINC000301958413 498344133 /nfs/dbraw/zinc/34/41/33/498344133.db2.gz GJOAPABKWPASKH-MRXNPFEDSA-N 0 3 366.425 3.195 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000331550497 498370148 /nfs/dbraw/zinc/37/01/48/498370148.db2.gz NBGSKJFMBYTOAZ-KEYYUXOJSA-N 0 3 363.483 3.161 20 5 FGBDHN O=[N+]([O-])c1cc(F)c(NCc2ccccc2CN2CC[C@H](O)C2)c(F)c1 ZINC000302038401 498379354 /nfs/dbraw/zinc/37/93/54/498379354.db2.gz GRSYPYMKSDAUOU-HNNXBMFYSA-N 0 3 363.364 3.052 20 5 FGBDHN CCSc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000578859175 506039326 /nfs/dbraw/zinc/03/93/26/506039326.db2.gz JZMMADDXJUBSJT-INIZCTEOSA-N 0 3 362.451 3.236 20 5 FGBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000302232068 498452561 /nfs/dbraw/zinc/45/25/61/498452561.db2.gz CKYFVJKIOPHTBJ-UHFFFAOYSA-N 0 3 374.407 3.442 20 5 FGBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302305616 498467480 /nfs/dbraw/zinc/46/74/80/498467480.db2.gz ZKLQOVPDZMVJOD-MRXNPFEDSA-N 0 3 369.469 3.095 20 5 FGBDHN CSC1C(=O)Nc2ccc(-c3noc(CCC(C)(C)[N+](=O)[O-])n3)cc21 ZINC000297600758 498507169 /nfs/dbraw/zinc/50/71/69/498507169.db2.gz HZBITUOARJKPCL-CYBMUJFWSA-N 0 3 362.411 3.081 20 5 FGBDHN CN1CCC2(CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000362391007 498509199 /nfs/dbraw/zinc/50/91/99/498509199.db2.gz XQZTZBUWRJEKEZ-GQCTYLIASA-N 0 3 363.845 3.348 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000297786215 498567413 /nfs/dbraw/zinc/56/74/13/498567413.db2.gz AITXFTCUEXKYPK-CYBMUJFWSA-N 0 3 373.409 3.331 20 5 FGBDHN CC(C)(NC(=O)C1C[C@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000294202714 498618876 /nfs/dbraw/zinc/61/88/76/498618876.db2.gz TUWLKTNYWBDKLE-WMLDXEAASA-N 0 3 368.389 3.251 20 5 FGBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596625 498736021 /nfs/dbraw/zinc/73/60/21/498736021.db2.gz GVVYROWQQYMGDT-STQMWFEESA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000310797302 498748311 /nfs/dbraw/zinc/74/83/11/498748311.db2.gz SFEXEWSAAJANIH-JSGCOSHPSA-N 0 3 357.439 3.379 20 5 FGBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000312739412 498764298 /nfs/dbraw/zinc/76/42/98/498764298.db2.gz XQBDQUSCTYKMHV-INIZCTEOSA-N 0 3 366.421 3.166 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000312800874 498764774 /nfs/dbraw/zinc/76/47/74/498764774.db2.gz QJFGGBZJUWJOKG-WMLDXEAASA-N 0 3 368.437 3.029 20 5 FGBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291825199 499078581 /nfs/dbraw/zinc/07/85/81/499078581.db2.gz BKHMVTGHTBTZJP-AMIZOPFISA-N 0 3 358.225 3.114 20 5 FGBDHN O=c1cc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c2c(ccc3ccccc32)o1 ZINC000367053982 499140474 /nfs/dbraw/zinc/14/04/74/499140474.db2.gz HWADORLHSPFVMA-VGOFRKELSA-N 0 3 362.429 3.093 20 5 FGBDHN C[C@@H](NC1(C2CC2)CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000367565900 499213310 /nfs/dbraw/zinc/21/33/10/499213310.db2.gz NTRQKSNPUASRHK-LLVKDONJSA-N 0 3 367.833 3.124 20 5 FGBDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000370917302 499270335 /nfs/dbraw/zinc/27/03/35/499270335.db2.gz MITFDRYHNSZOHR-ZWKOTPCHSA-N 0 3 357.385 3.081 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000368285874 499281724 /nfs/dbraw/zinc/28/17/24/499281724.db2.gz RCOJQSFBLVXABJ-GOSISDBHSA-N 0 3 357.454 3.128 20 5 FGBDHN Cc1c(CN2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000371545458 499340044 /nfs/dbraw/zinc/34/00/44/499340044.db2.gz VQLHMYDMELJMFL-QGZVFWFLSA-N 0 3 357.454 3.126 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2N2CCOCC2)c2ccncc21 ZINC000369005920 499356300 /nfs/dbraw/zinc/35/63/00/499356300.db2.gz XAPFXDWZECACHR-RDTXWAMCSA-N 0 3 356.426 3.056 20 5 FGBDHN CN1CC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369543399 499415151 /nfs/dbraw/zinc/41/51/51/499415151.db2.gz GGLYGHLRSDQNKM-YOEHRIQHSA-N 0 3 374.466 3.149 20 5 FGBDHN O=C(CCN1CCC[C@]2(CCCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373172745 499455141 /nfs/dbraw/zinc/45/51/41/499455141.db2.gz KLJZOXCNBMGHEC-GOSISDBHSA-N 0 3 365.405 3.098 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000579343703 506151486 /nfs/dbraw/zinc/15/14/86/506151486.db2.gz JANYBANOKXBTGP-CQSZACIVSA-N 0 3 370.327 3.143 20 5 FGBDHN Cc1ccc(Sc2ccc(CNCCn3cncn3)cc2[N+](=O)[O-])cc1 ZINC000409524852 499603458 /nfs/dbraw/zinc/60/34/58/499603458.db2.gz CEJMLWDTSKGNKI-UHFFFAOYSA-N 0 3 369.450 3.436 20 5 FGBDHN COc1cc(CNC2(C3CC3)CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000376715437 499631106 /nfs/dbraw/zinc/63/11/06/499631106.db2.gz JRKOCXCHOASYQD-UHFFFAOYSA-N 0 3 372.368 3.254 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000411419438 499737907 /nfs/dbraw/zinc/73/79/07/499737907.db2.gz KQDXHCLTXGNBPQ-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN CS(=O)(=O)c1ccccc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414228564 499769710 /nfs/dbraw/zinc/76/97/10/499769710.db2.gz DNBHGOCKRKQDSF-KRWDZBQOSA-N 0 3 374.462 3.109 20 5 FGBDHN CC(C)N(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC(=O)N1 ZINC000414563585 499809972 /nfs/dbraw/zinc/80/99/72/499809972.db2.gz WIDMMMWPELEDOK-HNNXBMFYSA-N 0 3 357.410 3.344 20 5 FGBDHN Cc1c(CNC(=O)N2CCC[C@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000582216019 506160523 /nfs/dbraw/zinc/16/05/23/506160523.db2.gz XKCNIKDQCDHAFD-KRWDZBQOSA-N 0 3 360.458 3.063 20 5 FGBDHN Cc1nnc([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000412033326 499815177 /nfs/dbraw/zinc/81/51/77/499815177.db2.gz CTSLSJFIQUTLLJ-JTQLQIEISA-N 0 3 355.320 3.030 20 5 FGBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000412199097 499833118 /nfs/dbraw/zinc/83/31/18/499833118.db2.gz VOYBHTPEFYQPJQ-RBUKOAKNSA-N 0 3 357.454 3.175 20 5 FGBDHN CCc1cccc2c1OCC[C@@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573317360 506169580 /nfs/dbraw/zinc/16/95/80/506169580.db2.gz GALLOYFGPCMORI-RDJZCZTQSA-N 0 3 372.421 3.010 20 5 FGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416309577 500010848 /nfs/dbraw/zinc/01/08/48/500010848.db2.gz WKAUEZMNLFHTLX-UHFFFAOYSA-N 0 3 351.472 3.311 20 5 FGBDHN COc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000416339891 500020692 /nfs/dbraw/zinc/02/06/92/500020692.db2.gz IKKHAVNXCSDQJH-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CCCN1C[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000421353915 500024505 /nfs/dbraw/zinc/02/45/05/500024505.db2.gz QLOMGDWVQSEXSR-CQSZACIVSA-N 0 3 357.410 3.203 20 5 FGBDHN NC(=O)COc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417318609 500037931 /nfs/dbraw/zinc/03/79/31/500037931.db2.gz ZDWURBGHZJBSPN-LJQANCHMSA-N 0 3 369.421 3.016 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COCc2ccccc21 ZINC000417406912 500064116 /nfs/dbraw/zinc/06/41/16/500064116.db2.gz SBRNGSYADJQWBE-SCLBCKFNSA-N 0 3 355.394 3.173 20 5 FGBDHN COC(=O)[C@@H](CCN(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425458786 500112217 /nfs/dbraw/zinc/11/22/17/500112217.db2.gz NXBTUGXAVNESAG-SFHVURJKSA-N 0 3 356.422 3.416 20 5 FGBDHN Cc1cnccc1OC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000429719858 500130653 /nfs/dbraw/zinc/13/06/53/500130653.db2.gz PIMNHDXIUARZBX-UHFFFAOYSA-N 0 3 357.410 3.220 20 5 FGBDHN Cc1c(CN(C)CCCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000425547754 500141279 /nfs/dbraw/zinc/14/12/79/500141279.db2.gz TYBNOFYVRFMDJC-UHFFFAOYSA-N 0 3 367.405 3.021 20 5 FGBDHN COc1c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000425612612 500159876 /nfs/dbraw/zinc/15/98/76/500159876.db2.gz UXJZAFMMYIGEIP-HNNXBMFYSA-N 0 3 369.421 3.127 20 5 FGBDHN Cc1ccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1[N+](=O)[O-] ZINC000431690616 500409644 /nfs/dbraw/zinc/40/96/44/500409644.db2.gz KIUVVYNZIBUMKR-ZBFHGGJFSA-N 0 3 358.398 3.174 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)N(C)C)cc1 ZINC000431861567 500435947 /nfs/dbraw/zinc/43/59/47/500435947.db2.gz YTEIMEVHIQKWTO-LJQANCHMSA-N 0 3 371.437 3.010 20 5 FGBDHN O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000432339012 500501812 /nfs/dbraw/zinc/50/18/12/500501812.db2.gz XXDMMTWWDGRSSG-AWEZNQCLSA-N 0 3 353.850 3.329 20 5 FGBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCO1 ZINC000432874769 500582365 /nfs/dbraw/zinc/58/23/65/500582365.db2.gz CBUSYFSDCOFRGU-GFCCVEGCSA-N 0 3 359.373 3.109 20 5 FGBDHN CC1(C)C[C@H](NC[C@@H](O)COc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433160774 500636867 /nfs/dbraw/zinc/63/68/67/500636867.db2.gz POPZUKZZXSXMBE-BEFAXECRSA-N 0 3 374.412 3.486 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000433320477 500671539 /nfs/dbraw/zinc/67/15/39/500671539.db2.gz URAKNEVAQHIDPU-LJQANCHMSA-N 0 3 356.422 3.467 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447894178 500687000 /nfs/dbraw/zinc/68/70/00/500687000.db2.gz RXUFHSKELIWBRU-CQSZACIVSA-N 0 3 354.838 3.490 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCCOc3ccccc3)C2)nc1 ZINC000438093769 500736751 /nfs/dbraw/zinc/73/67/51/500736751.db2.gz JJMRGSJZLQBHND-INIZCTEOSA-N 0 3 356.426 3.335 20 5 FGBDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443653463 500750233 /nfs/dbraw/zinc/75/02/33/500750233.db2.gz HHEHUUNCFDHEAT-VQIMIIECSA-N 0 3 357.454 3.345 20 5 FGBDHN C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CC(C)(C)O ZINC000438337913 500773092 /nfs/dbraw/zinc/77/30/92/500773092.db2.gz BFFLMNRCORVBNX-HNNXBMFYSA-N 0 3 373.453 3.132 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434022864 500783249 /nfs/dbraw/zinc/78/32/49/500783249.db2.gz CAGWMWZPHRJJBU-LPHOPBHVSA-N 0 3 358.417 3.254 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000438991051 500844273 /nfs/dbraw/zinc/84/42/73/500844273.db2.gz LPGVSHYTFNBFGB-ZDUSSCGKSA-N 0 3 357.410 3.455 20 5 FGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448923409 500870385 /nfs/dbraw/zinc/87/03/85/500870385.db2.gz FRZWQSVAENKYOF-GFCCVEGCSA-N 0 3 371.359 3.360 20 5 FGBDHN COc1cc(OC)c(OC)cc1CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060630 500914561 /nfs/dbraw/zinc/91/45/61/500914561.db2.gz DJFZGEBOOWDCRN-ZDUSSCGKSA-N 0 3 360.410 3.341 20 5 FGBDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000435046482 500926575 /nfs/dbraw/zinc/92/65/75/500926575.db2.gz SHEPSUAJVXPVAX-HNNXBMFYSA-N 0 3 359.426 3.007 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000449206243 500947498 /nfs/dbraw/zinc/94/74/98/500947498.db2.gz AHZKQRHRFKENFO-WMLDXEAASA-N 0 3 371.412 3.450 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000439882923 500950422 /nfs/dbraw/zinc/95/04/22/500950422.db2.gz MBMJGGLLOGOWFV-UHFFFAOYSA-N 0 3 364.446 3.332 20 5 FGBDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449250862 500957155 /nfs/dbraw/zinc/95/71/55/500957155.db2.gz MTJUXLLXDLOWEL-AWEZNQCLSA-N 0 3 362.451 3.109 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccncc1OCC(F)F ZINC000449305814 500971848 /nfs/dbraw/zinc/97/18/48/500971848.db2.gz UHXVCERTTGQVNO-LBPRGKRZSA-N 0 3 351.353 3.355 20 5 FGBDHN O=c1c(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cccn1C(F)F ZINC000602598106 506227798 /nfs/dbraw/zinc/22/77/98/506227798.db2.gz BEZWHOVNJBCZQN-UHFFFAOYSA-N 0 3 357.744 3.137 20 5 FGBDHN COC[C@](C)(O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449383854 500990668 /nfs/dbraw/zinc/99/06/68/500990668.db2.gz KPDJDVWYMVIXAI-QGZVFWFLSA-N 0 3 368.817 3.385 20 5 FGBDHN CC[C@H](NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449547723 501029782 /nfs/dbraw/zinc/02/97/82/501029782.db2.gz YNBPZXPTWHHHKI-PBHICJAKSA-N 0 3 374.437 3.431 20 5 FGBDHN C[C@@H](Cc1cnn(C)c1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449582136 501037502 /nfs/dbraw/zinc/03/75/02/501037502.db2.gz DSOKEIPDLRRMRR-LBPRGKRZSA-N 0 3 357.439 3.173 20 5 FGBDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000436292143 501102622 /nfs/dbraw/zinc/10/26/22/501102622.db2.gz BDTRIXODFCFBFU-YUELXQCFSA-N 0 3 350.415 3.376 20 5 FGBDHN CN(C)CCOc1ccc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000436392019 501119302 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3.263 20 5 FGBDHN C[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451106354 501246234 /nfs/dbraw/zinc/24/62/34/501246234.db2.gz OJABRLQAIZAPSA-UGSOOPFHSA-N 0 3 364.829 3.477 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@H]2CCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596076319 506242966 /nfs/dbraw/zinc/24/29/66/506242966.db2.gz PDNSFPWRRZMNJS-CMPLNLGQSA-N 0 3 353.806 3.074 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451477622 501301552 /nfs/dbraw/zinc/30/15/52/501301552.db2.gz HXAZNZBSVTWBOJ-CABCVRRESA-N 0 3 367.833 3.124 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000455463869 501309668 /nfs/dbraw/zinc/30/96/68/501309668.db2.gz MFJASUDGAHJWEE-AWEZNQCLSA-N 0 3 360.458 3.495 20 5 FGBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451594558 501332877 /nfs/dbraw/zinc/33/28/77/501332877.db2.gz VIAMHSWJHLOKLU-OCCSQVGLSA-N 0 3 360.332 3.435 20 5 FGBDHN COc1ccc(CN[C@@H]2CCC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000453612855 501361616 /nfs/dbraw/zinc/36/16/16/501361616.db2.gz KJRDBBNHNHEKMH-QZTJIDSGSA-N 0 3 372.421 3.185 20 5 FGBDHN Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458202168 501391066 /nfs/dbraw/zinc/39/10/66/501391066.db2.gz VPIZVHDQFUZAMT-UHFFFAOYSA-N 0 3 371.437 3.415 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCN(c4ccccc4F)C3)nc2c1 ZINC000602674521 506257238 /nfs/dbraw/zinc/25/72/38/506257238.db2.gz DPHMYFWNUOVBCQ-ZDUSSCGKSA-N 0 3 370.384 3.491 20 5 FGBDHN O=C(C1CCN(C2CC2)CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452870609 501578120 /nfs/dbraw/zinc/57/81/20/501578120.db2.gz ZPYQPFUABBCUPP-QGZVFWFLSA-N 0 3 357.454 3.175 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459523081 501669215 /nfs/dbraw/zinc/66/92/15/501669215.db2.gz FURMBGIRZDLXES-SFHVURJKSA-N 0 3 363.458 3.009 20 5 FGBDHN COc1ccc(CN2CC[C@H]2CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000598993928 506266950 /nfs/dbraw/zinc/26/69/50/506266950.db2.gz UKOOYVGGYMHSDJ-SFHVURJKSA-N 0 3 355.438 3.276 20 5 FGBDHN CCOc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000459558836 501676504 /nfs/dbraw/zinc/67/65/04/501676504.db2.gz LPUCUYPREXEXBF-UHFFFAOYSA-N 0 3 365.817 3.318 20 5 FGBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000457359945 501686955 /nfs/dbraw/zinc/68/69/55/501686955.db2.gz GQYVDJHSDOXNPG-LPHOPBHVSA-N 0 3 369.421 3.216 20 5 FGBDHN COc1ccc(C)cc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459654557 501693492 /nfs/dbraw/zinc/69/34/92/501693492.db2.gz GIYBTGCZSWCQEU-LSDHHAIUSA-N 0 3 360.410 3.002 20 5 FGBDHN COc1cccc2c1C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000459713838 501703067 /nfs/dbraw/zinc/70/30/67/501703067.db2.gz XLCSBULSVQKDBZ-CYBMUJFWSA-N 0 3 364.348 3.462 20 5 FGBDHN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H](c1ccccc1)N(C)C ZINC000474178439 501732583 /nfs/dbraw/zinc/73/25/83/501732583.db2.gz PVQTXAIDFGPFTI-BFUOFWGJSA-N 0 3 366.421 3.497 20 5 FGBDHN Cc1c(CN[C@H](C)[C@@H](c2ccccc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000477736413 501773125 /nfs/dbraw/zinc/77/31/25/501773125.db2.gz ABTVGOLBLJMTDA-UTKZUKDTSA-N 0 3 369.465 3.455 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cccc(F)c4)CC3)nc2c1 ZINC000460346425 501798196 /nfs/dbraw/zinc/79/81/96/501798196.db2.gz JHOFHQXCRJSXTK-UHFFFAOYSA-N 0 3 369.400 3.323 20 5 FGBDHN C[C@@H](N[C@@H](C)CN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467866322 501894380 /nfs/dbraw/zinc/89/43/80/501894380.db2.gz SYNNVLSHRUAFIX-ZWKOTPCHSA-N 0 3 368.481 3.456 20 5 FGBDHN C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467866320 501894527 /nfs/dbraw/zinc/89/45/27/501894527.db2.gz SYNNVLSHRUAFIX-ROUUACIJSA-N 0 3 368.481 3.456 20 5 FGBDHN COC(=O)c1cnc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283583 501930486 /nfs/dbraw/zinc/93/04/86/501930486.db2.gz SAXYXBJSRMMMLI-CJNGLKHVSA-N 0 3 370.409 3.024 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475120730 502067668 /nfs/dbraw/zinc/06/76/68/502067668.db2.gz ORPXTOVNAYIOES-OAHLLOKOSA-N 0 3 350.415 3.015 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H]4COCC[C@@H]43)o2)c1 ZINC000464854046 502122665 /nfs/dbraw/zinc/12/26/65/502122665.db2.gz PPGOTLRCQWZCOE-RDJZCZTQSA-N 0 3 357.410 3.293 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1cccc(C)c1 ZINC000468650180 502135766 /nfs/dbraw/zinc/13/57/66/502135766.db2.gz GMTLCNRXJVGLRT-LFIBNONCSA-N 0 3 353.422 3.326 20 5 FGBDHN Cc1cc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461783020 502199820 /nfs/dbraw/zinc/19/98/20/502199820.db2.gz CMHVWNZPIGCSHV-GASCZTMLSA-N 0 3 365.449 3.368 20 5 FGBDHN CC[C@H]1CCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475703899 502258871 /nfs/dbraw/zinc/25/88/71/502258871.db2.gz QGQYQOAHPBSRQO-AWEZNQCLSA-N 0 3 350.415 3.159 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000475710060 502260852 /nfs/dbraw/zinc/26/08/52/502260852.db2.gz OIBNKQRBLAJNTD-UHFFFAOYSA-N 0 3 362.426 3.303 20 5 FGBDHN COc1cc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596194385 506304076 /nfs/dbraw/zinc/30/40/76/506304076.db2.gz FBWNHANSHUVSBE-GDBMZVCRSA-N 0 3 371.890 3.273 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(Br)cc1 ZINC000602802092 506305723 /nfs/dbraw/zinc/30/57/23/506305723.db2.gz OUHIRXZSXFKIEH-SNVBAGLBSA-N 0 3 353.220 3.213 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N(C)C ZINC000486960698 502316272 /nfs/dbraw/zinc/31/62/72/502316272.db2.gz BCYAFVKRJVLPIP-CYBMUJFWSA-N 0 3 359.451 3.426 20 5 FGBDHN COCCSc1ccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602806120 506306292 /nfs/dbraw/zinc/30/62/92/506306292.db2.gz PBPHMGUFESKQRK-ZDUSSCGKSA-N 0 3 364.471 3.189 20 5 FGBDHN COc1ccc(CN2CC[C@H]2CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000599067717 506307941 /nfs/dbraw/zinc/30/79/41/506307941.db2.gz HZFPEUXEHXHJCK-OXJNMPFZSA-N 0 3 367.449 3.455 20 5 FGBDHN Cc1cc(N2CCN(C)[C@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487111615 502362305 /nfs/dbraw/zinc/36/23/05/502362305.db2.gz KEAMLFFTUKTGBY-KRWDZBQOSA-N 0 3 355.442 3.137 20 5 FGBDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409408 502379351 /nfs/dbraw/zinc/37/93/51/502379351.db2.gz QMBIIDDAZRKVRY-ICSRJNTNSA-N 0 3 374.412 3.137 20 5 FGBDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599074829 506312194 /nfs/dbraw/zinc/31/21/94/506312194.db2.gz QMRGKOCGRDJWDD-MOPGFXCFSA-N 0 3 351.406 3.389 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599084034 506316450 /nfs/dbraw/zinc/31/64/50/506316450.db2.gz QGPJASUEAITWHW-HGQUKEQDSA-N 0 3 373.409 3.275 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000602830502 506318580 /nfs/dbraw/zinc/31/85/80/506318580.db2.gz LWEVFTPWEHLWEV-AWEZNQCLSA-N 0 3 373.240 3.120 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302242 502531385 /nfs/dbraw/zinc/53/13/85/502531385.db2.gz DFYKEOVGEIEQNN-CZUORRHYSA-N 0 3 357.385 3.299 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693754 502535641 /nfs/dbraw/zinc/53/56/41/502535641.db2.gz ZNYBOXJHVAQWDG-PBHICJAKSA-N 0 3 363.421 3.470 20 5 FGBDHN Cc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000466474226 502580677 /nfs/dbraw/zinc/58/06/77/502580677.db2.gz NQZAARYXFFRUPQ-YJBOKZPZSA-N 0 3 353.422 3.182 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000466515878 502593569 /nfs/dbraw/zinc/59/35/69/502593569.db2.gz PMEPBBCFEBYZDA-PBHICJAKSA-N 0 3 354.410 3.379 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CNCCCCF)c1 ZINC000462872252 502607837 /nfs/dbraw/zinc/60/78/37/502607837.db2.gz UGMYIKSMNYINJJ-UHFFFAOYSA-N 0 3 352.147 3.039 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)N(C)C)cc1 ZINC000462908095 502623147 /nfs/dbraw/zinc/62/31/47/502623147.db2.gz VMQOZQTVYJRLBF-GOSISDBHSA-N 0 3 370.453 3.232 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000462934529 502631644 /nfs/dbraw/zinc/63/16/44/502631644.db2.gz HDWIAFNFGXGVFC-JFIYKMOQSA-N 0 3 361.486 3.400 20 5 FGBDHN CN(C)CCn1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000592997111 506326101 /nfs/dbraw/zinc/32/61/01/506326101.db2.gz UELIKPGZWRCRBN-UHFFFAOYSA-N 0 3 355.398 3.225 20 5 FGBDHN O=C1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1c1ccccc1F ZINC000463041019 502671918 /nfs/dbraw/zinc/67/19/18/502671918.db2.gz DYKKNEQKYIGOKL-PKYBCLHXSA-N 0 3 355.369 3.142 20 5 FGBDHN Cc1ccc([C@@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632316 502689510 /nfs/dbraw/zinc/68/95/10/502689510.db2.gz YHEAKSFSMBMYBR-QUCCMNQESA-N 0 3 356.422 3.480 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000588765023 506330685 /nfs/dbraw/zinc/33/06/85/506330685.db2.gz SGKNPEDLCSBIRN-TZMCWYRMSA-N 0 3 361.398 3.056 20 5 FGBDHN CSC1(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000484964335 502788755 /nfs/dbraw/zinc/78/87/55/502788755.db2.gz VOADPZLJZITPST-UHFFFAOYSA-N 0 3 371.890 3.114 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCCC1 ZINC000504911828 502822666 /nfs/dbraw/zinc/82/26/66/502822666.db2.gz MGVLJTUPIVCXHR-GJZGRUSLSA-N 0 3 365.499 3.456 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489446613 502960852 /nfs/dbraw/zinc/96/08/52/502960852.db2.gz ISIOOCQJEDPGCR-GOEBONIOSA-N 0 3 374.485 3.480 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000506260170 503080351 /nfs/dbraw/zinc/08/03/51/503080351.db2.gz PHPXURVRJWUMBS-RBSFLKMASA-N 0 3 365.499 3.312 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000506472019 503120962 /nfs/dbraw/zinc/12/09/62/503120962.db2.gz SEZMMNQECULHTB-LJQANCHMSA-N 0 3 374.412 3.181 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510542419 503139009 /nfs/dbraw/zinc/13/90/09/503139009.db2.gz YSYRHFKDWVNZPV-FZKQIMNGSA-N 0 3 359.401 3.464 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510542418 503139232 /nfs/dbraw/zinc/13/92/32/503139232.db2.gz YSYRHFKDWVNZPV-ACJLOTCBSA-N 0 3 359.401 3.464 20 5 FGBDHN CCOC(=O)Cc1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164747 506355143 /nfs/dbraw/zinc/35/51/43/506355143.db2.gz LPLYDISOKBDBPY-MRXNPFEDSA-N 0 3 361.442 3.129 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000514785637 503192451 /nfs/dbraw/zinc/19/24/51/503192451.db2.gz KVQCVBGVLJRSCR-QGZVFWFLSA-N 0 3 370.453 3.452 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950945 503223506 /nfs/dbraw/zinc/22/35/06/503223506.db2.gz MEDFIHPQDALFEU-STQMWFEESA-N 0 3 373.375 3.436 20 5 FGBDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000507375774 503288925 /nfs/dbraw/zinc/28/89/25/503288925.db2.gz DLIMGPVBVSSOBD-LJQANCHMSA-N 0 3 373.453 3.090 20 5 FGBDHN COc1ccc(CSCC(=O)Nc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000515234185 503298812 /nfs/dbraw/zinc/29/88/12/503298812.db2.gz ASETXLTZJOWPKC-UHFFFAOYSA-N 0 3 373.434 3.079 20 5 FGBDHN Cn1c(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])nc2c1cccc2F ZINC000515311880 503312519 /nfs/dbraw/zinc/31/25/19/503312519.db2.gz XTWGYQSGUCGRQP-OAHLLOKOSA-N 0 3 354.385 3.440 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511441928 503323490 /nfs/dbraw/zinc/32/34/90/503323490.db2.gz VZOBZYKHBGPBRS-HOTGVXAUSA-N 0 3 362.474 3.042 20 5 FGBDHN Cc1c(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000503083272 503343293 /nfs/dbraw/zinc/34/32/93/503343293.db2.gz NEANTYCSKFDZFY-QGZVFWFLSA-N 0 3 374.416 3.144 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCc1cc(F)cc2c1OCOC2 ZINC000515670187 503382014 /nfs/dbraw/zinc/38/20/14/503382014.db2.gz JQPHXIVLZWBMGX-KRWDZBQOSA-N 0 3 358.369 3.420 20 5 FGBDHN C[C@@H](Cn1cncn1)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507916050 503394603 /nfs/dbraw/zinc/39/46/03/503394603.db2.gz ZHQVOKIDTWZYFN-HNNXBMFYSA-N 0 3 366.425 3.133 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000511909090 503413636 /nfs/dbraw/zinc/41/36/36/503413636.db2.gz HBUCJWVOGKPAMS-KRWDZBQOSA-N 0 3 360.458 3.143 20 5 FGBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1CCOC ZINC000499657181 503451141 /nfs/dbraw/zinc/45/11/41/503451141.db2.gz BYJBMKQTLLNQRT-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593069039 506373424 /nfs/dbraw/zinc/37/34/24/506373424.db2.gz RCDZPEHYBDBXFK-JQWIXIFHSA-N 0 3 358.316 3.232 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494047585 503478952 /nfs/dbraw/zinc/47/89/52/503478952.db2.gz JAOXRJZCYBMTOS-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN COc1cc(N(C)CC2CCN(c3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000508372816 503484527 /nfs/dbraw/zinc/48/45/27/503484527.db2.gz VBVKXHXNRYZXEJ-UHFFFAOYSA-N 0 3 374.416 3.490 20 5 FGBDHN C/C(=C/c1ccccc1)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233170 503508717 /nfs/dbraw/zinc/50/87/17/503508717.db2.gz GRTJPHFSUMVIPU-JVCXIRSZSA-N 0 3 356.422 3.370 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000508523422 503512959 /nfs/dbraw/zinc/51/29/59/503512959.db2.gz WUNIMFOLLWCOQK-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000516886576 503608422 /nfs/dbraw/zinc/60/84/22/503608422.db2.gz OLBISWYRNKRGJO-KSSFIOAISA-N 0 3 354.410 3.379 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000540154720 503691421 /nfs/dbraw/zinc/69/14/21/503691421.db2.gz ZBPKJHAVYLYVKW-VDGAXYAQSA-N 0 3 369.465 3.189 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000536826570 503733135 /nfs/dbraw/zinc/73/31/35/503733135.db2.gz KYXHMLUUSXZGLZ-APWZRJJASA-N 0 3 367.449 3.307 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCNc3cnccn3)o2)c(Cl)c1 ZINC000540612286 503833269 /nfs/dbraw/zinc/83/32/69/503833269.db2.gz IZPUQFLRRWOZEG-UHFFFAOYSA-N 0 3 373.800 3.500 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518281772 503943500 /nfs/dbraw/zinc/94/35/00/503943500.db2.gz HAVQWEKNQVHAPR-GUYCJALGSA-N 0 3 357.385 3.299 20 5 FGBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000537728098 504018760 /nfs/dbraw/zinc/01/87/60/504018760.db2.gz HHBBRITYIDXWDT-IBGZPJMESA-N 0 3 369.421 3.170 20 5 FGBDHN Cc1cc(N2CCN(Cc3ccco3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541174333 504031327 /nfs/dbraw/zinc/03/13/27/504031327.db2.gz ABBWUMFVMMVCRR-UHFFFAOYSA-N 0 3 352.394 3.367 20 5 FGBDHN C[C@@H](C[S@](C)=O)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000544168542 504032822 /nfs/dbraw/zinc/03/28/22/504032822.db2.gz ZQOGICXRJUQEFZ-SXBQZSJRSA-N 0 3 361.467 3.219 20 5 FGBDHN CC(C)CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000541274945 504070174 /nfs/dbraw/zinc/07/01/74/504070174.db2.gz SOQCWPULMLPTLN-UHFFFAOYSA-N 0 3 354.472 3.269 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000519089442 504136985 /nfs/dbraw/zinc/13/69/85/504136985.db2.gz PZTCXOGQZHGSOJ-HNNXBMFYSA-N 0 3 370.453 3.252 20 5 FGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000544678038 504213364 /nfs/dbraw/zinc/21/33/64/504213364.db2.gz YUCJSLWENKSNTB-CYBMUJFWSA-N 0 3 360.389 3.376 20 5 FGBDHN O=[N+]([O-])c1cnc(N(CCN2CCCC2)Cc2ccc(Cl)cc2)nc1 ZINC000544847023 504278458 /nfs/dbraw/zinc/27/84/58/504278458.db2.gz HYTQHPOZCAIANW-UHFFFAOYSA-N 0 3 361.833 3.141 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H](C)CC[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000531610171 504362006 /nfs/dbraw/zinc/36/20/06/504362006.db2.gz NQBXLXFUPPEDMW-UOXLDJKESA-N 0 3 366.439 3.110 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545149654 504375539 /nfs/dbraw/zinc/37/55/39/504375539.db2.gz KMTFTLZJZBUUEG-UHFFFAOYSA-N 0 3 373.428 3.390 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545153407 504377321 /nfs/dbraw/zinc/37/73/21/504377321.db2.gz KKNABBVWFCLCPN-UHFFFAOYSA-N 0 3 365.449 3.344 20 5 FGBDHN COc1cc2c(cc1OC)CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000520059428 504404981 /nfs/dbraw/zinc/40/49/81/504404981.db2.gz WXJISNQPMJUDHU-UHFFFAOYSA-N 0 3 372.421 3.092 20 5 FGBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000520347834 504473267 /nfs/dbraw/zinc/47/32/67/504473267.db2.gz AIIXWXJBMFDFHJ-CYBMUJFWSA-N 0 3 351.422 3.364 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542612447 504552804 /nfs/dbraw/zinc/55/28/04/504552804.db2.gz JYUKJELTMTZLSW-MNVSYLFESA-N 0 3 369.421 3.385 20 5 FGBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542617654 504554666 /nfs/dbraw/zinc/55/46/66/504554666.db2.gz DWEJPYZBTNLIIP-YRVVQQKDSA-N 0 3 369.421 3.100 20 5 FGBDHN Cc1c([C@H](C)NCCN2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000532200853 504570777 /nfs/dbraw/zinc/57/07/77/504570777.db2.gz NNRZDLJOYBNATH-SFHVURJKSA-N 0 3 368.481 3.376 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3CCC(O)CC3)cc2)n1 ZINC000542864088 504639649 /nfs/dbraw/zinc/63/96/49/504639649.db2.gz FDBPJLDCNMUXBP-UHFFFAOYSA-N 0 3 370.453 3.175 20 5 FGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(CCO)[C@H]2CCCSC2)c1 ZINC000559188324 504798996 /nfs/dbraw/zinc/79/89/96/504798996.db2.gz ZMNMDBYUWVOQTC-ZDUSSCGKSA-N 0 3 364.389 3.304 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCNc1nccc(C(F)(F)F)n1 ZINC000565213496 504827053 /nfs/dbraw/zinc/82/70/53/504827053.db2.gz AYEFHAJJJXRPCC-GFCCVEGCSA-N 0 3 367.331 3.093 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000553153294 504839334 /nfs/dbraw/zinc/83/93/34/504839334.db2.gz MEDKQQOHVMREPT-WMLDXEAASA-N 0 3 368.437 3.016 20 5 FGBDHN CN(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000553251563 504863993 /nfs/dbraw/zinc/86/39/93/504863993.db2.gz ALPKMKCTEHUKME-ZDUSSCGKSA-N 0 3 357.439 3.184 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553332669 504886222 /nfs/dbraw/zinc/88/62/22/504886222.db2.gz MILHSPLKRSXLGE-FQEVSTJZSA-N 0 3 369.469 3.222 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553332670 504886318 /nfs/dbraw/zinc/88/63/18/504886318.db2.gz MILHSPLKRSXLGE-HXUWFJFHSA-N 0 3 369.469 3.222 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000556518392 504895163 /nfs/dbraw/zinc/89/51/63/504895163.db2.gz ZBGFKRBGEQOYKN-PBHICJAKSA-N 0 3 372.421 3.113 20 5 FGBDHN CCO[C@@H]1C[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000549942841 504941104 /nfs/dbraw/zinc/94/11/04/504941104.db2.gz GMBYKJZBELJZEG-ATCOBHSPSA-N 0 3 356.426 3.203 20 5 FGBDHN CNc1ccc(C(=O)N(CCN2CCCCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000553733545 504994528 /nfs/dbraw/zinc/99/45/28/504994528.db2.gz BLGVFZIMPZMLMO-UHFFFAOYSA-N 0 3 362.474 3.363 20 5 FGBDHN Cc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000554354932 505153193 /nfs/dbraw/zinc/15/31/93/505153193.db2.gz QNZFBMKFSLURJC-INIZCTEOSA-N 0 3 360.389 3.467 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCCC23CCCC3)cc1 ZINC000551169453 505169557 /nfs/dbraw/zinc/16/95/57/505169557.db2.gz GPUMOTKYFSCXQX-KRWDZBQOSA-N 0 3 366.483 3.461 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000554523090 505196529 /nfs/dbraw/zinc/19/65/29/505196529.db2.gz GJCWRMVCMKRPAU-DNVCBOLYSA-N 0 3 370.453 3.394 20 5 FGBDHN CCC1(CC)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)[C@@H]1OC ZINC000566694400 505246426 /nfs/dbraw/zinc/24/64/26/505246426.db2.gz AIMIINNVDWAYFA-RZAIGCCYSA-N 0 3 364.442 3.391 20 5 FGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000563843492 505254398 /nfs/dbraw/zinc/25/43/98/505254398.db2.gz RWKJLKVTXIVZKM-HXUWFJFHSA-N 0 3 354.454 3.476 20 5 FGBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)N(C)C)cc1 ZINC000557957135 505271528 /nfs/dbraw/zinc/27/15/28/505271528.db2.gz JFUSKGNCMPCGMN-HNNXBMFYSA-N 0 3 361.398 3.008 20 5 FGBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000557986830 505278889 /nfs/dbraw/zinc/27/88/89/505278889.db2.gz GWUKAYVXXJJLIF-LJQANCHMSA-N 0 3 370.453 3.221 20 5 FGBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000566918397 505311757 /nfs/dbraw/zinc/31/17/57/505311757.db2.gz GKCSMIHCYGKPGJ-LJQANCHMSA-N 0 3 371.437 3.415 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746756 505425353 /nfs/dbraw/zinc/42/53/53/505425353.db2.gz NCQVRVSAQNBRAK-RLFYNMQTSA-N 0 3 359.470 3.061 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000561773735 505434442 /nfs/dbraw/zinc/43/44/42/505434442.db2.gz IIHYAIZLJXXMQC-SFHVURJKSA-N 0 3 363.483 3.265 20 5 FGBDHN CN1C(=O)C[C@H](NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000561782579 505436858 /nfs/dbraw/zinc/43/68/58/505436858.db2.gz OVFAVESKBCQPJX-SFHVURJKSA-N 0 3 364.405 3.316 20 5 FGBDHN CCc1nn(C)c(NCC(C)(C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000552408038 505485199 /nfs/dbraw/zinc/48/51/99/505485199.db2.gz SYTHMVHFAFWXFA-UHFFFAOYSA-N 0 3 357.458 3.140 20 5 FGBDHN COc1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588928765 506385317 /nfs/dbraw/zinc/38/53/17/506385317.db2.gz SYRABJTZRNVAIX-AWEZNQCLSA-N 0 3 350.802 3.123 20 5 FGBDHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000596423551 506398880 /nfs/dbraw/zinc/39/88/80/506398880.db2.gz LERLNGFBQOVJQY-INIZCTEOSA-N 0 3 361.829 3.427 20 5 FGBDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612030265 506401287 /nfs/dbraw/zinc/40/12/87/506401287.db2.gz YIQRXLYNSHCODS-AWEZNQCLSA-N 0 3 374.368 3.318 20 5 FGBDHN COc1cccc(NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596436670 506403364 /nfs/dbraw/zinc/40/33/64/506403364.db2.gz NOLVKIFWCDTOLZ-UHFFFAOYSA-N 0 3 356.426 3.323 20 5 FGBDHN CCCCO[C@@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000589162110 506464136 /nfs/dbraw/zinc/46/41/36/506464136.db2.gz IFVHXVBKBDPLPP-DLBZAZTESA-N 0 3 363.458 3.131 20 5 FGBDHN COc1cc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000599626644 506539203 /nfs/dbraw/zinc/53/92/03/506539203.db2.gz XWUOAVPRLPRYCI-YBIKONCISA-N 0 3 374.384 3.149 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCCC2 ZINC000583051156 506560776 /nfs/dbraw/zinc/56/07/76/506560776.db2.gz BWAKVLWJBCAUFD-OKZBNKHCSA-N 0 3 373.453 3.028 20 5 FGBDHN COCC[C@H]1CCCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511862 506574668 /nfs/dbraw/zinc/57/46/68/506574668.db2.gz BFIBMCJWXBRCRM-CQSZACIVSA-N 0 3 350.415 3.020 20 5 FGBDHN CC[C@H](Cc1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576212 506634569 /nfs/dbraw/zinc/63/45/69/506634569.db2.gz XPUAZGSVWIIEMU-CYBMUJFWSA-N 0 3 368.480 3.041 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830920 506664394 /nfs/dbraw/zinc/66/43/94/506664394.db2.gz ZNMVVAKCDNQNCH-KBPBESRZSA-N 0 3 371.441 3.385 20 5 FGBDHN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122358 506721499 /nfs/dbraw/zinc/72/14/99/506721499.db2.gz LSBRFKKXXUWEPW-CRAIPNDOSA-N 0 3 368.437 3.230 20 5 FGBDHN COc1ccc(CN(C)[C@@H](C)CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000593693625 506734374 /nfs/dbraw/zinc/73/43/74/506734374.db2.gz AUXCIRWLRYDPNH-HNNXBMFYSA-N 0 3 374.437 3.385 20 5 FGBDHN COc1cc(CN(C)[C@H](C)CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000593694591 506736523 /nfs/dbraw/zinc/73/65/23/506736523.db2.gz OFBBVNDTEQWPRU-OAHLLOKOSA-N 0 3 374.437 3.385 20 5 FGBDHN CCN1C[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593723627 506748025 /nfs/dbraw/zinc/74/80/25/506748025.db2.gz OUZFNVUQCBVUAL-YWZLYKJASA-N 0 3 353.422 3.142 20 5 FGBDHN Cc1ccc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000604539090 506867441 /nfs/dbraw/zinc/86/74/41/506867441.db2.gz IWPOWWCDZKCKJI-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN Cc1ccc2c(CCNCc3cc4c(cc3[N+](=O)[O-])OCCO4)c[nH]c2c1 ZINC000604546527 506868183 /nfs/dbraw/zinc/86/81/83/506868183.db2.gz SFAUFSYJNZNWLG-UHFFFAOYSA-N 0 3 367.405 3.488 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OC2CCC2)C1 ZINC000594026237 506893195 /nfs/dbraw/zinc/89/31/95/506893195.db2.gz HCOINJOPNXTRQD-QGZVFWFLSA-N 0 3 361.442 3.265 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000609672277 506970008 /nfs/dbraw/zinc/97/00/08/506970008.db2.gz BAJLIDVZSLZLTN-HNNXBMFYSA-N 0 3 353.422 3.175 20 5 FGBDHN CC(C)O[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000613282241 507009929 /nfs/dbraw/zinc/00/99/29/507009929.db2.gz OFSBLGGADHDAKP-SJORKVTESA-N 0 3 350.415 3.048 20 5 FGBDHN O=C(COc1ccccc1[N+](=O)[O-])N(CCN1CCCC1)c1ccccc1 ZINC000610051097 507082748 /nfs/dbraw/zinc/08/27/48/507082748.db2.gz FPMQBSIFVOVXQJ-UHFFFAOYSA-N 0 3 369.421 3.103 20 5 FGBDHN NCc1cccc2c1N(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCC2 ZINC000600724073 507083855 /nfs/dbraw/zinc/08/38/55/507083855.db2.gz WYZUPTCTXJBICL-UHFFFAOYSA-N 0 3 365.393 3.056 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597858501 507137719 /nfs/dbraw/zinc/13/77/19/507137719.db2.gz MFRZNKOZJMLZTN-ZDUSSCGKSA-N 0 3 369.849 3.006 20 5 FGBDHN COc1c(C)cccc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594510012 507160860 /nfs/dbraw/zinc/16/08/60/507160860.db2.gz MULJVAAVKRMOQP-AWEZNQCLSA-N 0 3 357.410 3.419 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597920922 507174602 /nfs/dbraw/zinc/17/46/02/507174602.db2.gz CULVLTXHGRJSDM-LBPRGKRZSA-N 0 3 351.472 3.309 20 5 FGBDHN O=C(c1cc(N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC000594598045 507202758 /nfs/dbraw/zinc/20/27/58/507202758.db2.gz GDSVPTJFSMLPAK-MJGOQNOKSA-N 0 3 372.469 3.260 20 5 FGBDHN CCOC(=O)Cc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599991 507203785 /nfs/dbraw/zinc/20/37/85/507203785.db2.gz KXCLUNSVHRQIBR-WBVHZDCISA-N 0 3 361.442 3.129 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000610467050 507252227 /nfs/dbraw/zinc/25/22/27/507252227.db2.gz LFEARAPGYHODND-FQEVSTJZSA-N 0 3 368.437 3.051 20 5 FGBDHN COc1cc(CC2CN(CCc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000610514034 507273016 /nfs/dbraw/zinc/27/30/16/507273016.db2.gz LYLFAJBIKVCFTG-UHFFFAOYSA-N 0 3 356.422 3.329 20 5 FGBDHN COc1cc(CNCC2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])cc1OC ZINC000601155102 507280618 /nfs/dbraw/zinc/28/06/18/507280618.db2.gz DDJSAEMTZLILPZ-SFHVURJKSA-N 0 3 364.442 3.441 20 5 FGBDHN Cc1cc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000598195581 507307966 /nfs/dbraw/zinc/30/79/66/507307966.db2.gz OSTFHFPPWZRYIC-LJQANCHMSA-N 0 3 367.449 3.292 20 5 FGBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598195416 507308200 /nfs/dbraw/zinc/30/82/00/507308200.db2.gz MXKSMHOZQKBZDA-HNNXBMFYSA-N 0 3 359.451 3.045 20 5 FGBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598195417 507308227 /nfs/dbraw/zinc/30/82/27/507308227.db2.gz MXKSMHOZQKBZDA-OAHLLOKOSA-N 0 3 359.451 3.045 20 5 FGBDHN CC(C)c1ccc(CNCC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594994697 507345267 /nfs/dbraw/zinc/34/52/67/507345267.db2.gz FDSDYYJYTCUUSP-IBGZPJMESA-N 0 3 350.459 3.376 20 5 FGBDHN Cc1oc2ccccc2c1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591760843 507350851 /nfs/dbraw/zinc/35/08/51/507350851.db2.gz DKVDJBZPVSCWRX-AWEZNQCLSA-N 0 3 356.378 3.179 20 5 FGBDHN COc1cccc2c1OC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595011975 507353150 /nfs/dbraw/zinc/35/31/50/507353150.db2.gz MGXHIMLGBLMRMB-TZMCWYRMSA-N 0 3 358.394 3.266 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000601516076 507378033 /nfs/dbraw/zinc/37/80/33/507378033.db2.gz KSSFVXFVHOXMOT-UGSOOPFHSA-N 0 3 359.401 3.464 20 5 FGBDHN Cc1c([C@H](C)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cccc1[N+](=O)[O-] ZINC000595094046 507388950 /nfs/dbraw/zinc/38/89/50/507388950.db2.gz AICNINWIGOJYEO-KFKAGJAMSA-N 0 3 359.470 3.197 20 5 FGBDHN Cc1noc(CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592132252 507498038 /nfs/dbraw/zinc/49/80/38/507498038.db2.gz FIKBEDYJBNAYLA-QAQDUYKDSA-N 0 3 374.441 3.025 20 5 FGBDHN COc1ccc(OCCN2CCC(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000611258866 507585626 /nfs/dbraw/zinc/58/56/26/507585626.db2.gz VZWGVUAKGDFTNB-UHFFFAOYSA-N 0 3 357.410 3.257 20 5 FGBDHN CC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000592374516 507625733 /nfs/dbraw/zinc/62/57/33/507625733.db2.gz JZJAZRMIJUAVRE-WHWKNOJMSA-N 0 3 359.451 3.354 20 5 FGBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(-n3cnnn3)c2)cc1[N+](=O)[O-] ZINC000611336122 507628039 /nfs/dbraw/zinc/62/80/39/507628039.db2.gz LQXGINNSVCVDER-UONOGXRCSA-N 0 3 352.398 3.291 20 5 FGBDHN C[C@H](N[C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611473617 507697619 /nfs/dbraw/zinc/69/76/19/507697619.db2.gz ZOLPRRPOICETFT-LAUBAEHRSA-N 0 3 369.465 3.273 20 5 FGBDHN COc1cc(CN[C@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000592534111 507699754 /nfs/dbraw/zinc/69/97/54/507699754.db2.gz XKSCGPWNTHVLFS-ONGXEEELSA-N 0 3 362.398 3.231 20 5 FGBDHN O=[N+]([O-])c1sc(CNC2CCN(C3CC3)CC2)cc1Br ZINC000602508574 507731653 /nfs/dbraw/zinc/73/16/53/507731653.db2.gz USVJLDMDGANQGG-UHFFFAOYSA-N 0 3 360.277 3.135 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602551193 507746061 /nfs/dbraw/zinc/74/60/61/507746061.db2.gz NMZJPTFHMKDGQJ-UHFFFAOYSA-N 0 3 355.394 3.254 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254269 607014820 /nfs/dbraw/zinc/01/48/20/607014820.db2.gz OHCFFFQSKWPREF-ZIAGYGMSSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254269 607014822 /nfs/dbraw/zinc/01/48/22/607014822.db2.gz OHCFFFQSKWPREF-ZIAGYGMSSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@@H](C[C@H](O)c1ccco1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000130355289 700800258 /nfs/dbraw/zinc/80/02/58/700800258.db2.gz NZJLGMHIGQUMKC-GWCFXTLKSA-N 0 3 356.325 3.391 20 5 FGBDHN O=[N+]([O-])c1cc(CNCCc2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000237692902 713595877 /nfs/dbraw/zinc/59/58/77/713595877.db2.gz VPICVJDRZCGWGX-UHFFFAOYSA-N 0 3 354.815 3.413 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000752245524 722850993 /nfs/dbraw/zinc/85/09/93/722850993.db2.gz BHHVWAOYTSZBLP-UHFFFAOYSA-N 0 3 364.496 3.417 20 5 FGBDHN Cc1cc(N2CCC[C@H](NCc3cc([N+](=O)[O-])ccc3Cl)C2)n(C)n1 ZINC000767737437 723631850 /nfs/dbraw/zinc/63/18/50/723631850.db2.gz BSOFIJFJZCSSFR-AWEZNQCLSA-N 0 3 363.849 3.049 20 5 FGBDHN C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000777945152 724273830 /nfs/dbraw/zinc/27/38/30/724273830.db2.gz XWCBUEZMFZWOTI-STQMWFEESA-N 0 3 355.385 3.066 20 5 FGBDHN COCCN1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477640 725368165 /nfs/dbraw/zinc/36/81/65/725368165.db2.gz AZKQXGIKMQBSQP-CYBMUJFWSA-N 0 3 362.257 3.102 20 5 FGBDHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107250 726840032 /nfs/dbraw/zinc/84/00/32/726840032.db2.gz NPIMOIPKIYVAPO-LLVKDONJSA-N 0 3 365.817 3.202 20 5 FGBDHN CC(COC(=O)Cc1csc2ccc(Br)cc12)[N+](=O)[O-] ZINC000813112901 726840171 /nfs/dbraw/zinc/84/01/71/726840171.db2.gz WANHKLZAQFLQTE-MRVPVSSYSA-N 0 3 358.213 3.415 20 5 FGBDHN CC(COC(=O)c1ccc(-c2ccc(Br)cc2)n1C)[N+](=O)[O-] ZINC000813114806 726840265 /nfs/dbraw/zinc/84/02/65/726840265.db2.gz GXWLFRLWKGDLSK-JTQLQIEISA-N 0 3 367.199 3.277 20 5 FGBDHN CC(COC(=O)c1cc(Br)ccc1Br)[N+](=O)[O-] ZINC000813115646 726840655 /nfs/dbraw/zinc/84/06/55/726840655.db2.gz WWMPOYQCQHSLFM-ZCFIWIBFSA-N 0 3 366.993 3.034 20 5 FGBDHN CCN(CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000815573228 727084693 /nfs/dbraw/zinc/08/46/93/727084693.db2.gz CDHFANGXMRYFTD-GFCCVEGCSA-N 0 3 352.435 3.085 20 5 FGBDHN Cc1c(CNC[C@H](O)c2ccccc2Br)cccc1[N+](=O)[O-] ZINC000819258988 727362199 /nfs/dbraw/zinc/36/21/99/727362199.db2.gz CQJGCAYPJWQRTK-INIZCTEOSA-N 0 3 365.227 3.489 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1F ZINC000823332484 729268605 /nfs/dbraw/zinc/26/86/05/729268605.db2.gz KSBUESKPZJEWKR-ZYHUDNBSSA-N 0 3 355.385 3.032 20 5 FGBDHN CCC[C@H](NCC[S@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491813 731363117 /nfs/dbraw/zinc/36/31/17/731363117.db2.gz QWHUNNIKESPVRE-NPMABZOXSA-N 0 3 352.378 3.337 20 5 FGBDHN C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872022563 735577413 /nfs/dbraw/zinc/57/74/13/735577413.db2.gz JVKFLZWQBDRSLZ-GFCCVEGCSA-N 0 3 351.422 3.422 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891625297 739922227 /nfs/dbraw/zinc/92/22/27/739922227.db2.gz OTDPCABPQZAEFW-DLBZAZTESA-N 0 3 352.406 3.439 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896515808 742560507 /nfs/dbraw/zinc/56/05/07/742560507.db2.gz KCXNAXFFZIZJSO-CYBMUJFWSA-N 0 3 359.348 3.279 20 5 FGBDHN O=[N+]([O-])c1sc(CNC[C@]23C[C@H]2COC32CCC2)cc1Br ZINC000898062265 742740036 /nfs/dbraw/zinc/74/00/36/742740036.db2.gz NGMBBEPTTQGRQG-TVQRCGJNSA-N 0 3 373.272 3.468 20 5 FGBDHN O=C(CN[C@@H]1CCOC12CCCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933874902 761488745 /nfs/dbraw/zinc/48/87/45/761488745.db2.gz KSOUYRXWRMHHFL-OAHLLOKOSA-N 0 3 367.833 3.268 20 5 FGBDHN CCOC(=O)C1([C@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000933881835 761489444 /nfs/dbraw/zinc/48/94/44/761489444.db2.gz PJXGWDXIZFGCIR-LBPRGKRZSA-N 0 3 370.833 3.086 20 5 FGBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000080933302 493794658 /nfs/dbraw/zinc/79/46/58/493794658.db2.gz PJTTZDGNNIPNTF-KSSFIOAISA-N 0 3 360.410 3.123 20 5 FGBDHN C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000058230799 493837181 /nfs/dbraw/zinc/83/71/81/493837181.db2.gz URITXTKCPZBOOJ-HOTGVXAUSA-N 0 3 362.474 3.166 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050579599 493922348 /nfs/dbraw/zinc/92/23/48/493922348.db2.gz RFHAIBNORBWSML-ZDUSSCGKSA-N 0 3 374.466 3.323 20 5 FGBDHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041895975 494185612 /nfs/dbraw/zinc/18/56/12/494185612.db2.gz SIRJKNAJODOUCT-UHFFFAOYSA-N 0 3 367.405 3.418 20 5 FGBDHN CC(C)Oc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665217 494229108 /nfs/dbraw/zinc/22/91/08/494229108.db2.gz XFBBRYXGVVGQIH-MRXNPFEDSA-N 0 3 356.426 3.463 20 5 FGBDHN COCCc1nc(C)c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000089581068 494325920 /nfs/dbraw/zinc/32/59/20/494325920.db2.gz OZDJXBMRQNCFDB-LBPRGKRZSA-N 0 3 365.455 3.278 20 5 FGBDHN Cc1ccc([C@H](C)NCCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000089623842 494333234 /nfs/dbraw/zinc/33/32/34/494333234.db2.gz XKVANCIROPLIJU-LBPRGKRZSA-N 0 3 363.364 3.262 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000577384954 505717775 /nfs/dbraw/zinc/71/77/75/505717775.db2.gz BIYXSXXVOMXKIO-RYQLBKOJSA-N 0 3 362.813 3.134 20 5 FGBDHN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000577410143 505721716 /nfs/dbraw/zinc/72/17/16/505721716.db2.gz DNYVJMSDDHDKIB-ACJLOTCBSA-N 0 3 359.401 3.257 20 5 FGBDHN O=C(NCCN1CCCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079508955 494470027 /nfs/dbraw/zinc/47/00/27/494470027.db2.gz BVOONPLTHOHWSC-UHFFFAOYSA-N 0 3 359.348 3.219 20 5 FGBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090910103 494502765 /nfs/dbraw/zinc/50/27/65/494502765.db2.gz ZRLVVPLFMOODDS-GFCCVEGCSA-N 0 3 366.414 3.031 20 5 FGBDHN Cc1c([C@H](C)N[C@@H](C)Cn2ncc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000090938072 494505464 /nfs/dbraw/zinc/50/54/64/494505464.db2.gz YPTDDUYGCOUFMM-ZFWWWQNUSA-N 0 3 366.421 3.352 20 5 FGBDHN Cc1ccc([C@H](C)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000090937970 494505867 /nfs/dbraw/zinc/50/58/67/494505867.db2.gz DAMHQMIYFKYULW-CABCVRRESA-N 0 3 366.421 3.352 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000079686296 494507716 /nfs/dbraw/zinc/50/77/16/494507716.db2.gz SJQNNZPAUUQPBI-MAUKXSAKSA-N 0 3 353.422 3.378 20 5 FGBDHN CNC(=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000074371621 494526753 /nfs/dbraw/zinc/52/67/53/494526753.db2.gz RHKPDCBRXOHREN-UHFFFAOYSA-N 0 3 363.801 3.266 20 5 FGBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074448618 494539499 /nfs/dbraw/zinc/53/94/99/494539499.db2.gz CHZALGRHCWVCAX-HXUWFJFHSA-N 0 3 367.449 3.260 20 5 FGBDHN CN(Cc1ccc(Cl)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701774 494554889 /nfs/dbraw/zinc/55/48/89/494554889.db2.gz JRABHUWMIOQNCL-INIZCTEOSA-N 0 3 350.802 3.120 20 5 FGBDHN O=[N+]([O-])c1ccc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)nc1 ZINC000057150875 494656737 /nfs/dbraw/zinc/65/67/37/494656737.db2.gz LYNXRKOVDFCZMP-UHFFFAOYSA-N 0 3 353.426 3.265 20 5 FGBDHN CN(C)CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000121292756 494686200 /nfs/dbraw/zinc/68/62/00/494686200.db2.gz AIQBFEAINACSAA-UHFFFAOYSA-N 0 3 366.421 3.213 20 5 FGBDHN O=C(c1ccc(CN2CCCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000068119779 494769460 /nfs/dbraw/zinc/76/94/60/494769460.db2.gz CDYYKBFNTFFLIG-UHFFFAOYSA-N 0 3 351.406 3.394 20 5 FGBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092100916 494789400 /nfs/dbraw/zinc/78/94/00/494789400.db2.gz SRKUQQUYXMHFLI-HNNXBMFYSA-N 0 3 357.410 3.155 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000026711379 494834943 /nfs/dbraw/zinc/83/49/43/494834943.db2.gz IUNYZUOMMAMHDQ-HXUWFJFHSA-N 0 3 370.449 3.289 20 5 FGBDHN COc1cc(CN(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC ZINC000093324733 494870497 /nfs/dbraw/zinc/87/04/97/494870497.db2.gz XUJMSGMMQZVYED-CYBMUJFWSA-N 0 3 360.410 3.381 20 5 FGBDHN CCC(CC)Nc1ccncc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000571511696 505750529 /nfs/dbraw/zinc/75/05/29/505750529.db2.gz QOSGWVDYYWXJPT-UHFFFAOYSA-N 0 3 358.398 3.030 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000117750670 494951901 /nfs/dbraw/zinc/95/19/01/494951901.db2.gz LXCCXBVNPXOKTC-UHFFFAOYSA-N 0 3 361.829 3.169 20 5 FGBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127872963 495010472 /nfs/dbraw/zinc/01/04/72/495010472.db2.gz PCJWPZUUTNQWRL-CYBMUJFWSA-N 0 3 359.348 3.170 20 5 FGBDHN CC[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000133743473 495055727 /nfs/dbraw/zinc/05/57/27/495055727.db2.gz VZNCRFMUEXQNSS-KDOFPFPSSA-N 0 3 366.364 3.354 20 5 FGBDHN Cc1ccc([C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)o1 ZINC000118982865 495063850 /nfs/dbraw/zinc/06/38/50/495063850.db2.gz QWJFWKIQCQDBRK-YJBOKZPZSA-N 0 3 359.426 3.220 20 5 FGBDHN Cc1c(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000123212425 495097658 /nfs/dbraw/zinc/09/76/58/495097658.db2.gz PGEGFKFZEKJIGY-IBGZPJMESA-N 0 3 367.449 3.227 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000123360877 495120363 /nfs/dbraw/zinc/12/03/63/495120363.db2.gz BOSKJCPGSNWIOW-COWJPUMTSA-N 0 3 351.834 3.203 20 5 FGBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000112187017 495152671 /nfs/dbraw/zinc/15/26/71/495152671.db2.gz ZZECMPJHXTULPC-UHFFFAOYSA-N 0 3 363.483 3.076 20 5 FGBDHN O=[N+]([O-])c1ccc(CSC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000128864079 495161415 /nfs/dbraw/zinc/16/14/15/495161415.db2.gz AQMJACLIFBVUCL-IBGZPJMESA-N 0 3 358.463 3.247 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134880501 495214350 /nfs/dbraw/zinc/21/43/50/495214350.db2.gz PWFYVVNXCWTZJI-DOTOQJQBSA-N 0 3 353.422 3.296 20 5 FGBDHN CC(C)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000134935021 495227048 /nfs/dbraw/zinc/22/70/48/495227048.db2.gz JIJLMCYWOMUVSO-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN CCCC[C@H](NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000135168470 495258053 /nfs/dbraw/zinc/25/80/53/495258053.db2.gz MDBURIBPLKZJGL-INIZCTEOSA-N 0 3 360.414 3.221 20 5 FGBDHN COc1ccccc1CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104711160 495299538 /nfs/dbraw/zinc/29/95/38/495299538.db2.gz JQINHKBFJZFPCT-UHFFFAOYSA-N 0 3 357.410 3.107 20 5 FGBDHN O=[N+]([O-])c1cnn(CCNCc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000120680564 495433864 /nfs/dbraw/zinc/43/38/64/495433864.db2.gz KEJUZPGPICOERQ-UHFFFAOYSA-N 0 3 370.384 3.299 20 5 FGBDHN C[C@@H](C1CC1)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577717772 505782344 /nfs/dbraw/zinc/78/23/44/505782344.db2.gz MTBRDKIRPHEUET-VIFPVBQESA-N 0 3 360.195 3.430 20 5 FGBDHN COc1ccc2[nH]cc(C3CCN(CCn4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000176217020 495550967 /nfs/dbraw/zinc/55/09/67/495550967.db2.gz VXCWYAAKMNXSRV-UHFFFAOYSA-N 0 3 369.425 3.161 20 5 FGBDHN CCOc1ccc([C@@H](C)NCc2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000179419858 495584188 /nfs/dbraw/zinc/58/41/88/495584188.db2.gz DKFOBXOBBTWQKD-CQSZACIVSA-N 0 3 367.409 3.425 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOCc1ccccc1 ZINC000154653689 495685887 /nfs/dbraw/zinc/68/58/87/495685887.db2.gz FALWLIGXHKMROJ-UHFFFAOYSA-N 0 3 371.437 3.380 20 5 FGBDHN COc1ccc(CNCCNc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000151178707 495763070 /nfs/dbraw/zinc/76/30/70/495763070.db2.gz OIUGITWLNXMHKN-UHFFFAOYSA-N 0 3 352.394 3.353 20 5 FGBDHN COc1cc(CN[C@@H](C)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000179879414 495768688 /nfs/dbraw/zinc/76/86/88/495768688.db2.gz ZYRKMVPHOZDULE-JTQLQIEISA-N 0 3 360.357 3.110 20 5 FGBDHN C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154963460 495786895 /nfs/dbraw/zinc/78/68/95/495786895.db2.gz YVBHEXRWDLPDSI-FOIQADDNSA-N 0 3 373.428 3.458 20 5 FGBDHN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000154974880 495790399 /nfs/dbraw/zinc/79/03/99/495790399.db2.gz URGCRFIWEJFPIP-JXFKEZNVSA-N 0 3 355.438 3.146 20 5 FGBDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000155052014 495817887 /nfs/dbraw/zinc/81/78/87/495817887.db2.gz HOTLGNRXLIWHSC-AWEZNQCLSA-N 0 3 357.410 3.080 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151385693 495823529 /nfs/dbraw/zinc/82/35/29/495823529.db2.gz KEXGEIMNENYBOX-LRDDRELGSA-N 0 3 374.409 3.341 20 5 FGBDHN COc1cc(-c2ccccc2)ccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000183078767 495825645 /nfs/dbraw/zinc/82/56/45/495825645.db2.gz YOLMPUQXKHWJJM-UHFFFAOYSA-N 0 3 352.394 3.257 20 5 FGBDHN C[C@]1(Cc2ccccc2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186055136 495839284 /nfs/dbraw/zinc/83/92/84/495839284.db2.gz DUKZWTCCZLSKHY-HXUWFJFHSA-N 0 3 353.422 3.291 20 5 FGBDHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](N2CCCC2)C1 ZINC000171454052 495881138 /nfs/dbraw/zinc/88/11/38/495881138.db2.gz PULYDSVEKISOOK-OAHLLOKOSA-N 0 3 372.450 3.029 20 5 FGBDHN CC[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000183213955 495882918 /nfs/dbraw/zinc/88/29/18/495882918.db2.gz WYIBXDHQKNWMBK-NJAFHUGGSA-N 0 3 360.458 3.172 20 5 FGBDHN COCCN1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180242532 495922449 /nfs/dbraw/zinc/92/24/49/495922449.db2.gz MSWMRDHDPDEERX-OAQYLSRUSA-N 0 3 369.465 3.385 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000183348794 495941481 /nfs/dbraw/zinc/94/14/81/495941481.db2.gz MUEUDSPPHIVPCR-KGLIPLIRSA-N 0 3 357.410 3.324 20 5 FGBDHN Cc1c([C@H](C)NCCNc2nccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000151768528 495941693 /nfs/dbraw/zinc/94/16/93/495941693.db2.gz SHIHAIRKJXZQRE-NSHDSACASA-N 0 3 369.347 3.475 20 5 FGBDHN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186320294 495945480 /nfs/dbraw/zinc/94/54/80/495945480.db2.gz OKAPKGOEWYVRAG-LJQANCHMSA-N 0 3 367.449 3.260 20 5 FGBDHN Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000568948066 505814760 /nfs/dbraw/zinc/81/47/60/505814760.db2.gz NNMWOBFBNHCRPG-CQSZACIVSA-N 0 3 371.441 3.109 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000177354389 496028854 /nfs/dbraw/zinc/02/88/54/496028854.db2.gz KSVPTTNNMNGBNB-UHFFFAOYSA-N 0 3 356.426 3.283 20 5 FGBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000180634146 496078633 /nfs/dbraw/zinc/07/86/33/496078633.db2.gz ZMJGIANVIBWVBY-IRXDYDNUSA-N 0 3 358.394 3.140 20 5 FGBDHN C[C@H]1CN(CCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000177501774 496087787 /nfs/dbraw/zinc/08/77/87/496087787.db2.gz CSEYQLZDQLNTOJ-IRXDYDNUSA-N 0 3 361.486 3.306 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180788040 496147155 /nfs/dbraw/zinc/14/71/55/496147155.db2.gz JRWNBPGEISLXOY-CQSZACIVSA-N 0 3 368.437 3.132 20 5 FGBDHN COCC[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000172069810 496151832 /nfs/dbraw/zinc/15/18/32/496151832.db2.gz HXSGJCGLSBAVOZ-QGZVFWFLSA-N 0 3 368.817 3.385 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000152513292 496172849 /nfs/dbraw/zinc/17/28/49/496172849.db2.gz IZWFVJQARHMPSX-IBGZPJMESA-N 0 3 355.438 3.337 20 5 FGBDHN CC[C@H](NCc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177774725 496191618 /nfs/dbraw/zinc/19/16/18/496191618.db2.gz BIUOHLVAXCKWNO-IBGZPJMESA-N 0 3 351.410 3.476 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1Cc1ccccc1 ZINC000172199338 496206312 /nfs/dbraw/zinc/20/63/12/496206312.db2.gz TXTHCNKRSQQBOT-GOSISDBHSA-N 0 3 368.437 3.059 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186920310 496211541 /nfs/dbraw/zinc/21/15/41/496211541.db2.gz HDFXPYWMFRZPBE-UHFFFAOYSA-N 0 3 374.412 3.182 20 5 FGBDHN CC1CC[NH+](Cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000186953369 496227419 /nfs/dbraw/zinc/22/74/19/496227419.db2.gz CHTAORCLTBKVOX-UHFFFAOYSA-N 0 3 370.409 3.180 20 5 FGBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000175067663 496234518 /nfs/dbraw/zinc/23/45/18/496234518.db2.gz JIALSQGBCGOIAN-UONOGXRCSA-N 0 3 351.834 3.336 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000152749087 496244091 /nfs/dbraw/zinc/24/40/91/496244091.db2.gz AWVMXMRQLOQMNA-UGSOOPFHSA-N 0 3 360.410 3.386 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2c1cccc2O ZINC000569030261 505833983 /nfs/dbraw/zinc/83/39/83/505833983.db2.gz XKDCPMVMFCBAEL-YVEFUNNKSA-N 0 3 355.394 3.295 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccsc1 ZINC000178165875 496352944 /nfs/dbraw/zinc/35/29/44/496352944.db2.gz SFPLWDKDHPDISN-OAHLLOKOSA-N 0 3 362.455 3.051 20 5 FGBDHN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187241473 496357340 /nfs/dbraw/zinc/35/73/40/496357340.db2.gz NWRAGBLOGZQBSG-FOIQADDNSA-N 0 3 370.453 3.204 20 5 FGBDHN COCCC1(CN[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000184728301 496509958 /nfs/dbraw/zinc/50/99/58/496509958.db2.gz DWUCHFXDVRCYSS-HNNXBMFYSA-N 0 3 363.458 3.498 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000173028789 496526173 /nfs/dbraw/zinc/52/61/73/496526173.db2.gz IHRNEGWEARZFAC-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CC1(c2ccccc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000153660281 496535861 /nfs/dbraw/zinc/53/58/61/496535861.db2.gz XXJJCAHELHEYCG-UHFFFAOYSA-N 0 3 353.422 3.247 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000181831158 496563482 /nfs/dbraw/zinc/56/34/82/496563482.db2.gz VLCFWOMFNFCLDC-UKRRQHHQSA-N 0 3 350.440 3.193 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCCCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000175864755 496578442 /nfs/dbraw/zinc/57/84/42/496578442.db2.gz OSMZOAGEQYJQPV-GJZGRUSLSA-N 0 3 364.471 3.221 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000181897315 496590427 /nfs/dbraw/zinc/59/04/27/496590427.db2.gz KBMGTXYLVKIGHP-AEFFLSMTSA-N 0 3 374.412 3.038 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ccc(-c4cc[nH]n4)o3)c2c1 ZINC000574790092 505855959 /nfs/dbraw/zinc/85/59/59/505855959.db2.gz YAFGGKFWPOLVCO-UHFFFAOYSA-N 0 3 351.366 3.392 20 5 FGBDHN C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173304195 496634709 /nfs/dbraw/zinc/63/47/09/496634709.db2.gz MLXVVKRPUDEFJM-JXFKEZNVSA-N 0 3 355.438 3.319 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000187997633 496645371 /nfs/dbraw/zinc/64/53/71/496645371.db2.gz BAXIFIGCPJDOLE-CYBMUJFWSA-N 0 3 351.472 3.018 20 5 FGBDHN C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173335264 496648625 /nfs/dbraw/zinc/64/86/25/496648625.db2.gz OZFVMFCXQRUFDI-KRWDZBQOSA-N 0 3 368.481 3.193 20 5 FGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CC(N)=O)C1CCCCC1 ZINC000182047936 496648601 /nfs/dbraw/zinc/64/86/01/496648601.db2.gz JKEWBCLLSGFVNG-QGZVFWFLSA-N 0 3 363.458 3.296 20 5 FGBDHN C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173357318 496657747 /nfs/dbraw/zinc/65/77/47/496657747.db2.gz CSWDFUVJPGGRHK-YWZLYKJASA-N 0 3 373.428 3.458 20 5 FGBDHN CSc1cccc(C(=O)NCc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000188034529 496658390 /nfs/dbraw/zinc/65/83/90/496658390.db2.gz LXVZIQPOTRSKPJ-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000182178290 496698661 /nfs/dbraw/zinc/69/86/61/496698661.db2.gz VGOOJBBBRPPSKG-NVXWUHKLSA-N 0 3 360.410 3.084 20 5 FGBDHN COc1ccc([C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000182197576 496704357 /nfs/dbraw/zinc/70/43/57/496704357.db2.gz KLFNZQCFIUVINZ-JXFKEZNVSA-N 0 3 374.437 3.330 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000182301397 496728258 /nfs/dbraw/zinc/72/82/58/496728258.db2.gz RIHYGWDZYCNBTK-ZDUSSCGKSA-N 0 3 371.393 3.311 20 5 FGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188454220 496794301 /nfs/dbraw/zinc/79/43/01/496794301.db2.gz OKYPDEZJWLVEAW-UHFFFAOYSA-N 0 3 354.410 3.334 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000247352299 496843161 /nfs/dbraw/zinc/84/31/61/496843161.db2.gz JUKBGZSIJONDEC-QKOWSDGPSA-N 0 3 351.834 3.060 20 5 FGBDHN COc1cc(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC000191721899 496867296 /nfs/dbraw/zinc/86/72/96/496867296.db2.gz MDHXGLSONADDGB-VLIAUNLRSA-N 0 3 374.437 3.028 20 5 FGBDHN CN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247915474 496926396 /nfs/dbraw/zinc/92/63/96/496926396.db2.gz AXBPXOSGNQNRCC-IEBWSBKVSA-N 0 3 373.840 3.352 20 5 FGBDHN Cc1c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248073206 496951555 /nfs/dbraw/zinc/95/15/55/496951555.db2.gz QUGZIBKUDKTYNR-AEFFLSMTSA-N 0 3 354.410 3.470 20 5 FGBDHN COCCOCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000572048206 505877311 /nfs/dbraw/zinc/87/73/11/505877311.db2.gz GCJQKNVVOUHMIN-UHFFFAOYSA-N 0 3 350.440 3.418 20 5 FGBDHN Cc1cc(CN(C)C)cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000270381988 497115525 /nfs/dbraw/zinc/11/55/25/497115525.db2.gz OBLFCRAVULGAGG-UHFFFAOYSA-N 0 3 361.373 3.121 20 5 FGBDHN COc1ccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000237142648 497197186 /nfs/dbraw/zinc/19/71/86/497197186.db2.gz JUXWHNQCHBLASL-INIZCTEOSA-N 0 3 357.410 3.157 20 5 FGBDHN Cc1cc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000189765232 497237559 /nfs/dbraw/zinc/23/75/59/497237559.db2.gz GXJPLEWNLCGMRI-FUHWJXTLSA-N 0 3 354.410 3.470 20 5 FGBDHN O=C(CCN1CC[C@@H](CC(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278908863 497263801 /nfs/dbraw/zinc/26/38/01/497263801.db2.gz VUBYKABENWYZCK-JTQLQIEISA-N 0 3 363.311 3.337 20 5 FGBDHN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237663698 497272102 /nfs/dbraw/zinc/27/21/02/497272102.db2.gz FJRMPPZJHXEJGX-CABCVRRESA-N 0 3 368.437 3.029 20 5 FGBDHN NC(=O)CCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271207635 497290582 /nfs/dbraw/zinc/29/05/82/497290582.db2.gz SIZOSKIOQLCKEF-UHFFFAOYSA-N 0 3 357.410 3.332 20 5 FGBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000190032583 497331942 /nfs/dbraw/zinc/33/19/42/497331942.db2.gz GMTBYCFJYQPHTG-GOEBONIOSA-N 0 3 367.471 3.196 20 5 FGBDHN Cc1c(C(=O)Nc2ccccc2CCN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275602011 497378847 /nfs/dbraw/zinc/37/88/47/497378847.db2.gz GZIBNZSPPGTTIZ-UHFFFAOYSA-N 0 3 372.381 3.168 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000275707587 497409068 /nfs/dbraw/zinc/40/90/68/497409068.db2.gz UHEWTKDQTDCIGR-UHFFFAOYSA-N 0 3 356.426 3.017 20 5 FGBDHN CN(C)[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275751312 497421512 /nfs/dbraw/zinc/42/15/12/497421512.db2.gz DHQJVDSZCHMKJN-ZDUSSCGKSA-N 0 3 371.387 3.148 20 5 FGBDHN Cc1sc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193807048 497489086 /nfs/dbraw/zinc/48/90/86/497489086.db2.gz MABDBXJKGYRDHY-HNNXBMFYSA-N 0 3 359.451 3.217 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245679165 497498399 /nfs/dbraw/zinc/49/83/99/497498399.db2.gz JDQWBWCLQWESFK-NHYWBVRUSA-N 0 3 352.822 3.196 20 5 FGBDHN COc1cc(CNCC2(C)CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272430175 497625630 /nfs/dbraw/zinc/62/56/30/497625630.db2.gz NFCPWLXMBIQHHQ-UHFFFAOYSA-N 0 3 374.384 3.154 20 5 FGBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114343 497681162 /nfs/dbraw/zinc/68/11/62/497681162.db2.gz JVICTXGWFXOTRE-PXAZEXFGSA-N 0 3 358.467 3.291 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000246514490 497759830 /nfs/dbraw/zinc/75/98/30/497759830.db2.gz BLYIDARKSCDXMZ-DYVFJYSZSA-N 0 3 374.466 3.051 20 5 FGBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000301085054 497944766 /nfs/dbraw/zinc/94/47/66/497944766.db2.gz LHWDKCCPIWNSQG-INIZCTEOSA-N 0 3 374.407 3.298 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000301161428 497977738 /nfs/dbraw/zinc/97/77/38/497977738.db2.gz AOZHEPOXHJOTHP-LJQANCHMSA-N 0 3 369.469 3.089 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301329076 498057859 /nfs/dbraw/zinc/05/78/59/498057859.db2.gz CTZZFJCEWYZZCA-CQSZACIVSA-N 0 3 371.466 3.405 20 5 FGBDHN Cc1cc(NCCCN2CCN(C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417125 498101282 /nfs/dbraw/zinc/10/12/82/498101282.db2.gz CHJDENSLAWBEPP-IBGZPJMESA-N 0 3 369.469 3.089 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000301553620 498160104 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FGBDHN CC1(C)Cc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc2O1 ZINC000426004090 500224247 /nfs/dbraw/zinc/22/42/47/500224247.db2.gz UOYNTWULUOQQCL-UHFFFAOYSA-N 0 3 356.426 3.342 20 5 FGBDHN COc1ccc(F)cc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000427853687 500440609 /nfs/dbraw/zinc/44/06/09/500440609.db2.gz XBOPQSIAMIJFSF-LBPRGKRZSA-N 0 3 361.373 3.249 20 5 FGBDHN CSc1ccc([C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000420635869 500481040 /nfs/dbraw/zinc/48/10/40/500481040.db2.gz LZSSVPZPNDKDPY-INIZCTEOSA-N 0 3 374.466 3.130 20 5 FGBDHN Nc1c(F)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428689045 500543766 /nfs/dbraw/zinc/54/37/66/500543766.db2.gz IPDVEYUXPAJLSV-OAHLLOKOSA-N 0 3 374.416 3.019 20 5 FGBDHN CN(C)[C@@H]1CCOc2c(Nc3nc4sccn4c3[N+](=O)[O-])cccc21 ZINC000432945839 500595686 /nfs/dbraw/zinc/59/56/86/500595686.db2.gz VAGCYQPQCOHJIU-GFCCVEGCSA-N 0 3 359.411 3.433 20 5 FGBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000437183244 500611230 /nfs/dbraw/zinc/61/12/30/500611230.db2.gz KREGOBGLDODRII-UHFFFAOYSA-N 0 3 359.348 3.075 20 5 FGBDHN CC(C)CN1CCO[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137193 500633561 /nfs/dbraw/zinc/63/35/61/500633561.db2.gz SFGHXZJMEVMHER-LPHOPBHVSA-N 0 3 361.486 3.264 20 5 FGBDHN CC(C)CN1CCO[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137194 500633640 /nfs/dbraw/zinc/63/36/40/500633640.db2.gz SFGHXZJMEVMHER-QFBILLFUSA-N 0 3 361.486 3.264 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000447816140 500668929 /nfs/dbraw/zinc/66/89/29/500668929.db2.gz IEHNNCGKPJOTQJ-GOSISDBHSA-N 0 3 374.485 3.363 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN2CCCC[C@@H]12 ZINC000447817792 500669884 /nfs/dbraw/zinc/66/98/84/500669884.db2.gz SJPKQMYMIIJQOI-KBPBESRZSA-N 0 3 353.806 3.074 20 5 FGBDHN COCCN(C)CC[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000443511371 500731869 /nfs/dbraw/zinc/73/18/69/500731869.db2.gz QHVNHOWTLKIDCI-AWEZNQCLSA-N 0 3 350.444 3.173 20 5 FGBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000433946270 500769838 /nfs/dbraw/zinc/76/98/38/500769838.db2.gz QJDAKKWFCLLBOX-GQQIISMTSA-N 0 3 356.426 3.334 20 5 FGBDHN CC(C)(NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000434351565 500830486 /nfs/dbraw/zinc/83/04/86/500830486.db2.gz KSKFDLGBTQPOAK-KRWDZBQOSA-N 0 3 360.458 3.146 20 5 FGBDHN CC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1c(C)noc1C ZINC000602578057 506221617 /nfs/dbraw/zinc/22/16/17/506221617.db2.gz XXPMNMHGBCWVGT-INIZCTEOSA-N 0 3 359.430 3.304 20 5 FGBDHN COc1cc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000449062806 500915347 /nfs/dbraw/zinc/91/53/47/500915347.db2.gz MXOFGVOLKJQRTP-ZDUSSCGKSA-N 0 3 360.410 3.341 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000439884068 500950248 /nfs/dbraw/zinc/95/02/48/500950248.db2.gz VUGNOFASLWGOIP-ZIAGYGMSSA-N 0 3 364.446 3.235 20 5 FGBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000449375648 500990039 /nfs/dbraw/zinc/99/00/39/500990039.db2.gz JCXCCMLIXMESEY-ZDUSSCGKSA-N 0 3 372.368 3.062 20 5 FGBDHN Cn1c2ccc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2oc1=O ZINC000449503117 501019201 /nfs/dbraw/zinc/01/92/01/501019201.db2.gz SUVLZNCMHQBPST-MRXNPFEDSA-N 0 3 367.405 3.419 20 5 FGBDHN COc1cc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000449532872 501027224 /nfs/dbraw/zinc/02/72/24/501027224.db2.gz DSXOVNJHSNHADX-DOTOQJQBSA-N 0 3 373.409 3.017 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000449553609 501032214 /nfs/dbraw/zinc/03/22/14/501032214.db2.gz MEWGRHXBNNJEHX-JMSVASOKSA-N 0 3 356.369 3.179 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@H](C3CC3)C2)cc1Br ZINC000602616195 506234499 /nfs/dbraw/zinc/23/44/99/506234499.db2.gz IBXYUXXOGHJKOF-SKDRFNHKSA-N 0 3 361.261 3.466 20 5 FGBDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279461 501113488 /nfs/dbraw/zinc/11/34/88/501113488.db2.gz ARJSTQINIOVAAU-GWCFXTLKSA-N 0 3 373.240 3.152 20 5 FGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCN(C2CCCC2)CC1 ZINC000436384082 501117826 /nfs/dbraw/zinc/11/78/26/501117826.db2.gz GGJSFUXGIRNXMO-UHFFFAOYSA-N 0 3 358.364 3.463 20 5 FGBDHN Cc1nc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)ncc1[N+](=O)[O-] ZINC000450446656 501124133 /nfs/dbraw/zinc/12/41/33/501124133.db2.gz PKWNJCKXYPGAHN-AWEZNQCLSA-N 0 3 369.347 3.427 20 5 FGBDHN COc1ccc(OCCN2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000441406661 501134286 /nfs/dbraw/zinc/13/42/86/501134286.db2.gz YMZSHVBPTLHROB-HNNXBMFYSA-N 0 3 372.421 3.480 20 5 FGBDHN O=C(CCNCc1cnccc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000596070167 506239598 /nfs/dbraw/zinc/23/95/98/506239598.db2.gz OYRVDOPSCZQCPC-UHFFFAOYSA-N 0 3 368.315 3.127 20 5 FGBDHN C[S@](=O)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000602649590 506245408 /nfs/dbraw/zinc/24/54/08/506245408.db2.gz WSAKAWMPJVJRIW-QHCPKHFHSA-N 0 3 350.362 3.004 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596083297 506246557 /nfs/dbraw/zinc/24/65/57/506246557.db2.gz RMHBJSZXTDLOAN-LBPRGKRZSA-N 0 3 367.833 3.099 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000453455982 501337473 /nfs/dbraw/zinc/33/74/73/501337473.db2.gz UULNSEVYTNRXFH-RBSFLKMASA-N 0 3 363.483 3.209 20 5 FGBDHN C[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC(=O)N1 ZINC000453589606 501355805 /nfs/dbraw/zinc/35/58/05/501355805.db2.gz NMQPUOZSWSOUBP-QGZVFWFLSA-N 0 3 363.801 3.267 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451924063 501402366 /nfs/dbraw/zinc/40/23/66/501402366.db2.gz BGQDCHBSFTXDQK-UHFFFAOYSA-N 0 3 367.421 3.081 20 5 FGBDHN CN(C)[C@]1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCSC1 ZINC000582490157 506250917 /nfs/dbraw/zinc/25/09/17/506250917.db2.gz UGWQNKUDLJYVNS-KBPBESRZSA-N 0 3 363.405 3.225 20 5 FGBDHN Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])ccc1CN(C)C ZINC000458284685 501411895 /nfs/dbraw/zinc/41/18/95/501411895.db2.gz NFKGWGKXMMNAGZ-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN NC(=O)c1cc(NCC2CCN(Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000596096111 506254534 /nfs/dbraw/zinc/25/45/34/506254534.db2.gz BLJILLAUUIZJBC-UHFFFAOYSA-N 0 3 374.466 3.079 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452346934 501482965 /nfs/dbraw/zinc/48/29/65/501482965.db2.gz XPGAQIMXXDRNQE-AWEZNQCLSA-N 0 3 358.442 3.316 20 5 FGBDHN CC(C)(C(=O)NCCN1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000457057984 501642655 /nfs/dbraw/zinc/64/26/55/501642655.db2.gz PPFWUBZKZLJROJ-UHFFFAOYSA-N 0 3 351.422 3.002 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(CC4CCCCC4)CC3)c2c1 ZINC000611708923 506265795 /nfs/dbraw/zinc/26/57/95/506265795.db2.gz LYOQBYMNBAIKRZ-UHFFFAOYSA-N 0 3 355.442 3.240 20 5 FGBDHN COc1ccc(-c2ccc(CNCC[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000582514617 506267311 /nfs/dbraw/zinc/26/73/11/506267311.db2.gz SIAFLGQUBRDULJ-OAHLLOKOSA-N 0 3 374.315 3.266 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999094 506271042 /nfs/dbraw/zinc/27/10/42/506271042.db2.gz DWLVBBKNQZFADQ-RHSMWYFYSA-N 0 3 360.458 3.280 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474234642 501755417 /nfs/dbraw/zinc/75/54/17/501755417.db2.gz UJBYTWXONQPWCK-LJQANCHMSA-N 0 3 355.438 3.310 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccccc1 ZINC000474436920 501836771 /nfs/dbraw/zinc/83/67/71/501836771.db2.gz WRARLNRWWONLHX-GOSISDBHSA-N 0 3 371.437 3.416 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694932 501846852 /nfs/dbraw/zinc/84/68/52/501846852.db2.gz CNDTVAOXZNLPND-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000467700513 501848093 /nfs/dbraw/zinc/84/80/93/501848093.db2.gz LOCLSRVCLRQYOJ-RDJZCZTQSA-N 0 3 353.422 3.296 20 5 FGBDHN COc1ccc(CN[C@H]2C[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000599015780 506279432 /nfs/dbraw/zinc/27/94/32/506279432.db2.gz PAWRIWOJWGGNME-SAABIXHNSA-N 0 3 372.421 3.449 20 5 FGBDHN Cc1ccc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019010 501892511 /nfs/dbraw/zinc/89/25/11/501892511.db2.gz NTOIPBBWQCRUIZ-ZWKOTPCHSA-N 0 3 370.449 3.441 20 5 FGBDHN Cc1ccc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022125 501894161 /nfs/dbraw/zinc/89/41/61/501894161.db2.gz LZANRRRXPFGKMX-HKUYNNGSSA-N 0 3 370.449 3.441 20 5 FGBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485803569 501944895 /nfs/dbraw/zinc/94/48/95/501944895.db2.gz ORXLOTBQTNJOOO-WFASDCNBSA-N 0 3 373.434 3.295 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000478614268 502033806 /nfs/dbraw/zinc/03/38/06/502033806.db2.gz GAWHPNTUDHFRPU-CHWSQXEVSA-N 0 3 351.472 3.309 20 5 FGBDHN COc1cc(CNCC2(C)CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000475209074 502099282 /nfs/dbraw/zinc/09/92/82/502099282.db2.gz OTYGTBKZIGURKB-UHFFFAOYSA-N 0 3 352.431 3.297 20 5 FGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCCn1c(=O)[nH]c2ccccc21 ZINC000468748395 502169613 /nfs/dbraw/zinc/16/96/13/502169613.db2.gz QINAYDFCRPDTNZ-SDNWHVSQSA-N 0 3 352.394 3.343 20 5 FGBDHN COc1cnccc1N1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000475630063 502236803 /nfs/dbraw/zinc/23/68/03/502236803.db2.gz XOMYZXYIZQIFLG-FOWTUZBSSA-N 0 3 368.437 3.224 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000475718635 502263745 /nfs/dbraw/zinc/26/37/45/502263745.db2.gz YMSPDTOLBNEPIS-HXUWFJFHSA-N 0 3 374.437 3.469 20 5 FGBDHN CCC1(CC)CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475725646 502266489 /nfs/dbraw/zinc/26/64/89/502266489.db2.gz NNCJZLPSMIRDRT-UHFFFAOYSA-N 0 3 350.415 3.159 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000596200678 506306944 /nfs/dbraw/zinc/30/69/44/506306944.db2.gz QWFMEQAJCWXUBV-GFCCVEGCSA-N 0 3 367.833 3.099 20 5 FGBDHN Cc1c(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727803 502357598 /nfs/dbraw/zinc/35/75/98/502357598.db2.gz BYTFOJGPRNZCAS-PKOBYXMFSA-N 0 3 368.437 3.148 20 5 FGBDHN CS[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000599068106 506308681 /nfs/dbraw/zinc/30/86/81/506308681.db2.gz KSXULBYJHVRYNC-IRXDYDNUSA-N 0 3 358.467 3.159 20 5 FGBDHN CC[C@H]1CN(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000487156218 502375680 /nfs/dbraw/zinc/37/56/80/502375680.db2.gz JPLVSCWJEZPMQC-KRWDZBQOSA-N 0 3 359.426 3.055 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[C@H](C)C1 ZINC000483408020 502378223 /nfs/dbraw/zinc/37/82/23/502378223.db2.gz OYZVZPIQDBIBOY-XJKSGUPXSA-N 0 3 350.415 3.098 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000483435435 502390942 /nfs/dbraw/zinc/39/09/42/502390942.db2.gz BBXNGWGPWDUYDX-WBVHZDCISA-N 0 3 355.438 3.423 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(N3CCCC3)nc2)n1 ZINC000472615947 502401002 /nfs/dbraw/zinc/40/10/02/502401002.db2.gz ZSVAEHYORPTBDO-IRXDYDNUSA-N 0 3 370.457 3.060 20 5 FGBDHN CCOC(=O)COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000483617130 502444365 /nfs/dbraw/zinc/44/43/65/502444365.db2.gz BYJXHWJCUNCZQK-UHFFFAOYSA-N 0 3 358.394 3.135 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(CO)Cc1ccccc1 ZINC000483649592 502451829 /nfs/dbraw/zinc/45/18/29/502451829.db2.gz WYTOUBMDHPNVAW-HXUWFJFHSA-N 0 3 358.438 3.324 20 5 FGBDHN CCC(=O)c1ccc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480057989 502459619 /nfs/dbraw/zinc/45/96/19/502459619.db2.gz FCJDDEYRMVLKQW-GJZGRUSLSA-N 0 3 363.458 3.489 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000480067600 502462882 /nfs/dbraw/zinc/46/28/82/502462882.db2.gz GMQOGRDGGFESNM-UHFFFAOYSA-N 0 3 372.473 3.394 20 5 FGBDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000483699087 502467510 /nfs/dbraw/zinc/46/75/10/502467510.db2.gz YIUUKAOSOHDTQU-TZMCWYRMSA-N 0 3 374.384 3.295 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644540 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O=C(CCN[C@@H](c1ccccn1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599573067 506504039 /nfs/dbraw/zinc/50/40/39/506504039.db2.gz FEKSFRNVTMHZQY-LJQANCHMSA-N 0 3 354.410 3.449 20 5 FGBDHN O=C(CCN[C@H](c1ccccn1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599573062 506504549 /nfs/dbraw/zinc/50/45/49/506504549.db2.gz FEKSFRNVTMHZQY-IBGZPJMESA-N 0 3 354.410 3.449 20 5 FGBDHN C[C@@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000593338128 506554192 /nfs/dbraw/zinc/55/41/92/506554192.db2.gz WFUQUEWWADOUOP-HXUWFJFHSA-N 0 3 371.412 3.057 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000589527457 506579050 /nfs/dbraw/zinc/57/90/50/506579050.db2.gz CIOODQFAQAKZSA-UHFFFAOYSA-N 0 3 362.474 3.365 20 5 FGBDHN COc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000603865333 506641625 /nfs/dbraw/zinc/64/16/25/506641625.db2.gz YQIMRTGNXFNMDE-IAGOWNOFSA-N 0 3 353.422 3.172 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830816 506663291 /nfs/dbraw/zinc/66/32/91/506663291.db2.gz NHEKSTQSHQHNGC-ZDUSSCGKSA-N 0 3 357.414 3.139 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(C)c1 ZINC000604016380 506686759 /nfs/dbraw/zinc/68/67/59/506686759.db2.gz XNFHDKNGUVTSRD-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN COc1ccc(-c2ccc(CNCCn3ccnc3C)o2)c([N+](=O)[O-])c1 ZINC000608836869 506721879 /nfs/dbraw/zinc/72/18/79/506721879.db2.gz MEXUUHQGSIVELA-UHFFFAOYSA-N 0 3 356.382 3.158 20 5 FGBDHN COc1cc(CN(C)[C@@H](C)CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000593694590 506735855 /nfs/dbraw/zinc/73/58/55/506735855.db2.gz OFBBVNDTEQWPRU-HNNXBMFYSA-N 0 3 374.437 3.385 20 5 FGBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604192016 506744912 /nfs/dbraw/zinc/74/49/12/506744912.db2.gz KAQVCTNLYIQWGP-AWEZNQCLSA-N 0 3 361.829 3.151 20 5 FGBDHN CCN1C[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593723624 506748571 /nfs/dbraw/zinc/74/85/71/506748571.db2.gz OUZFNVUQCBVUAL-FOIQADDNSA-N 0 3 353.422 3.142 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000609153981 506795938 /nfs/dbraw/zinc/79/59/38/506795938.db2.gz NAGPRXXYHJOTSK-UKRRQHHQSA-N 0 3 351.472 3.018 20 5 FGBDHN COCCOc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000583544916 506838239 /nfs/dbraw/zinc/83/82/39/506838239.db2.gz PKLXAAYWHHNCKX-ROUUACIJSA-N 0 3 374.441 3.090 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)[C@](C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000597234879 506851560 /nfs/dbraw/zinc/85/15/60/506851560.db2.gz CMVWQBWWIVOMDT-YJYMSZOUSA-N 0 3 360.410 3.314 20 5 FGBDHN COc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000600230995 506861021 /nfs/dbraw/zinc/86/10/21/506861021.db2.gz XNUUUBJPXQNGNV-MRXNPFEDSA-N 0 3 361.442 3.049 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000609346874 506861135 /nfs/dbraw/zinc/86/11/35/506861135.db2.gz SYNGSJGSPTUFHK-OKILXGFUSA-N 0 3 351.472 3.066 20 5 FGBDHN CSc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229417 506861967 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371.359 3.172 20 5 FGBDHN COc1c(C)cccc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594509355 507161848 /nfs/dbraw/zinc/16/18/48/507161848.db2.gz HYRYNESSGAYUQZ-CQSZACIVSA-N 0 3 357.410 3.419 20 5 FGBDHN CN(C)[C@H](CNc1ccncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000613578512 507165443 /nfs/dbraw/zinc/16/54/43/507165443.db2.gz UAJIOQPIUJGUFB-CQSZACIVSA-N 0 3 354.332 3.145 20 5 FGBDHN Cc1sc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598195454 507308055 /nfs/dbraw/zinc/30/80/55/507308055.db2.gz NUARQGVHWZBQCM-MRXNPFEDSA-N 0 3 373.478 3.354 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598260992 507347626 /nfs/dbraw/zinc/34/76/26/507347626.db2.gz BXVUDCUNVSETNW-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(C(F)F)cc2)c1 ZINC000591760908 507351161 /nfs/dbraw/zinc/35/11/61/507351161.db2.gz YLGMHSYRCICTLE-OAHLLOKOSA-N 0 3 352.337 3.062 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000591763999 507352193 /nfs/dbraw/zinc/35/21/93/507352193.db2.gz IXGOGCSGHXTPPZ-VQIMIIECSA-N 0 3 360.385 3.141 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(CO)CCc2ccccc21 ZINC000595046363 507367214 /nfs/dbraw/zinc/36/72/14/507367214.db2.gz PXDHYTFCIUVMCN-XOBRGWDASA-N 0 3 356.422 3.131 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CC2)OCc2ccccc23)cc1 ZINC000610738715 507372395 /nfs/dbraw/zinc/37/23/95/507372395.db2.gz VDGKSUPDUUSFJU-UHFFFAOYSA-N 0 3 354.406 3.495 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595074556 507379140 /nfs/dbraw/zinc/37/91/40/507379140.db2.gz WZIRBZCGZLCZNV-SCNSBEPISA-N 0 3 354.472 3.334 20 5 FGBDHN CC[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595077844 507381634 /nfs/dbraw/zinc/38/16/34/507381634.db2.gz QNCGGUYHFHSFQX-INIZCTEOSA-N 0 3 354.472 3.383 20 5 FGBDHN CC1(C)C[C@@H](NCCN2C[C@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000595099962 507391167 /nfs/dbraw/zinc/39/11/67/507391167.db2.gz HMIVWSUWQDKMBT-CRAIPNDOSA-N 0 3 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355.822 3.122 20 5 FGBDHN Cc1[nH]c2ccccc2c1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176213842 495549599 /nfs/dbraw/zinc/54/95/99/495549599.db2.gz OJOQAAPLCMZGPT-UHFFFAOYSA-N 0 3 353.426 3.461 20 5 FGBDHN C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000173508658 495564763 /nfs/dbraw/zinc/56/47/63/495564763.db2.gz FBIDFIUAWGUTKS-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173513394 495566966 /nfs/dbraw/zinc/56/69/66/495566966.db2.gz QHRVPDLWFFUUPV-HNNXBMFYSA-N 0 3 355.438 3.383 20 5 FGBDHN COc1ccc(OCCN2CCN(CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173557974 495587878 /nfs/dbraw/zinc/58/78/78/495587878.db2.gz LTWVJUSLEXBKOK-UHFFFAOYSA-N 0 3 365.474 3.036 20 5 FGBDHN C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000176422053 495645656 /nfs/dbraw/zinc/64/56/56/495645656.db2.gz HILYKVCUJGLRPR-WMLDXEAASA-N 0 3 361.467 3.380 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](OCCO)C2)s1 ZINC000179574966 495647224 /nfs/dbraw/zinc/64/72/24/495647224.db2.gz TZMJCVXOAITHRB-CQSZACIVSA-N 0 3 362.451 3.297 20 5 FGBDHN CCOc1cccc2cc([C@H](C)NCCn3cc([N+](=O)[O-])ccc3=O)oc21 ZINC000182663990 495654730 /nfs/dbraw/zinc/65/47/30/495654730.db2.gz OBHAUXCKQZQSSS-ZDUSSCGKSA-N 0 3 371.393 3.252 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000150936181 495686981 /nfs/dbraw/zinc/68/69/81/495686981.db2.gz YDEIOXUFXCTGQN-KBPBESRZSA-N 0 3 357.410 3.074 20 5 FGBDHN Cc1cc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000182766153 495695059 /nfs/dbraw/zinc/69/50/59/495695059.db2.gz UKHXXTDQGGGYLB-TZMCWYRMSA-N 0 3 350.440 3.364 20 5 FGBDHN Cc1cc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000182766134 495695252 /nfs/dbraw/zinc/69/52/52/495695252.db2.gz UKHXXTDQGGGYLB-JSGCOSHPSA-N 0 3 350.440 3.364 20 5 FGBDHN COc1cc(CN(C)CCN(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580636860 505803318 /nfs/dbraw/zinc/80/33/18/505803318.db2.gz OPDZPJVICJDSMR-UHFFFAOYSA-N 0 3 373.453 3.176 20 5 FGBDHN C[C@@]1(Cc2ccccc2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186055157 495838983 /nfs/dbraw/zinc/83/89/83/495838983.db2.gz DUKZWTCCZLSKHY-FQEVSTJZSA-N 0 3 353.422 3.291 20 5 FGBDHN CCc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000174177275 495851328 /nfs/dbraw/zinc/85/13/28/495851328.db2.gz ZSEHVWSMJGKUJF-UHFFFAOYSA-N 0 3 371.437 3.028 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000180230801 495916676 /nfs/dbraw/zinc/91/66/76/495916676.db2.gz GZKNBJYRVBYOFJ-HIFRSBDPSA-N 0 3 363.483 3.404 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000171543150 495921194 /nfs/dbraw/zinc/92/11/94/495921194.db2.gz PICJOHNDZWREGP-UHFFFAOYSA-N 0 3 369.425 3.057 20 5 FGBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186310272 495941356 /nfs/dbraw/zinc/94/13/56/495941356.db2.gz SYRUQNVHSXKPJT-FQEVSTJZSA-N 0 3 367.449 3.260 20 5 FGBDHN CC[C@H](NCCNC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180426985 495992617 /nfs/dbraw/zinc/99/26/17/495992617.db2.gz BJRNLCHCHZEYJZ-SFHVURJKSA-N 0 3 357.410 3.074 20 5 FGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183572097 496035056 /nfs/dbraw/zinc/03/50/56/496035056.db2.gz HXRGNYHQTHOYSX-AWEZNQCLSA-N 0 3 365.393 3.070 20 5 FGBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183572112 496035829 /nfs/dbraw/zinc/03/58/29/496035829.db2.gz HXRGNYHQTHOYSX-CQSZACIVSA-N 0 3 365.393 3.070 20 5 FGBDHN C[C@@H](Cn1cc(Br)cn1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155799558 496072009 /nfs/dbraw/zinc/07/20/09/496072009.db2.gz RKAKSRIHQWGFGH-QWRGUYRKSA-N 0 3 353.220 3.293 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000177501401 496087465 /nfs/dbraw/zinc/08/74/65/496087465.db2.gz RCHMQACUGRANDK-IAGOWNOFSA-N 0 3 361.486 3.306 20 5 FGBDHN COc1ccc(CNCCOc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000152236562 496089550 /nfs/dbraw/zinc/08/95/50/496089550.db2.gz YKBISSCYRWRNGM-UHFFFAOYSA-N 0 3 371.315 3.186 20 5 FGBDHN COc1ccc(COC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000177788527 496196736 /nfs/dbraw/zinc/19/67/36/496196736.db2.gz NIUVLPXCQUYCST-CRAIPNDOSA-N 0 3 374.437 3.140 20 5 FGBDHN CCNC(=O)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000152780182 496254777 /nfs/dbraw/zinc/25/47/77/496254777.db2.gz JKZZIDWNNBZBHR-ZDUSSCGKSA-N 0 3 374.466 3.217 20 5 FGBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175284649 496322929 /nfs/dbraw/zinc/32/29/29/496322929.db2.gz CUJGUTPOAILLJN-INIZCTEOSA-N 0 3 357.410 3.172 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000153092098 496350046 /nfs/dbraw/zinc/35/00/46/496350046.db2.gz OBBXECLITABESI-UHFFFAOYSA-N 0 3 359.401 3.374 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000157001174 496382609 /nfs/dbraw/zinc/38/26/09/496382609.db2.gz NZYCQMFEORMRLL-AWEZNQCLSA-N 0 3 364.833 3.236 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000181553486 496443385 /nfs/dbraw/zinc/44/33/85/496443385.db2.gz ZJUGNHJHJBYGES-IBGZPJMESA-N 0 3 353.422 3.453 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000175622106 496468641 /nfs/dbraw/zinc/46/86/41/496468641.db2.gz KMCUAIRTPIMJNU-HOCLYGCPSA-N 0 3 360.458 3.140 20 5 FGBDHN COCCC1(CN[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000184728316 496510551 /nfs/dbraw/zinc/51/05/51/496510551.db2.gz DWUCHFXDVRCYSS-OAHLLOKOSA-N 0 3 363.458 3.498 20 5 FGBDHN COC(=O)[C@H](C)CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000153726479 496558335 /nfs/dbraw/zinc/55/83/35/496558335.db2.gz CRHZLTHCXCXEJV-CYBMUJFWSA-N 0 3 373.409 3.066 20 5 FGBDHN COC(=O)[C@@H](C)CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000153726370 496559057 /nfs/dbraw/zinc/55/90/57/496559057.db2.gz CRHZLTHCXCXEJV-ZDUSSCGKSA-N 0 3 373.409 3.066 20 5 FGBDHN C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163951628 496572840 /nfs/dbraw/zinc/57/28/40/496572840.db2.gz UZCJFEMGVDBWNT-INIZCTEOSA-N 0 3 355.438 3.278 20 5 FGBDHN COC[C@@](C)(CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000175856067 496574940 /nfs/dbraw/zinc/57/49/40/496574940.db2.gz MZOAFMNTIIQZNL-QGZVFWFLSA-N 0 3 368.817 3.385 20 5 FGBDHN CN(CCc1ccc(Cl)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181881943 496584875 /nfs/dbraw/zinc/58/48/75/496584875.db2.gz OOPKDMCNAGJZDT-INIZCTEOSA-N 0 3 364.829 3.162 20 5 FGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000182047918 496647736 /nfs/dbraw/zinc/64/77/36/496647736.db2.gz JKEWBCLLSGFVNG-KRWDZBQOSA-N 0 3 363.458 3.296 20 5 FGBDHN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000158299926 496670332 /nfs/dbraw/zinc/67/03/32/496670332.db2.gz XVZDJJPCZLAZGK-UHFFFAOYSA-N 0 3 368.397 3.031 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188080147 496674931 /nfs/dbraw/zinc/67/49/31/496674931.db2.gz PCKDFSSVFYFZFQ-QWHCGFSZSA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176113670 496689222 /nfs/dbraw/zinc/68/92/22/496689222.db2.gz OYISWSJDMQZJQU-VQIMIIECSA-N 0 3 367.449 3.307 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000176127402 496696382 /nfs/dbraw/zinc/69/63/82/496696382.db2.gz VCOSBZFOIDHARD-PBHICJAKSA-N 0 3 368.437 3.081 20 5 FGBDHN COCC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273249045 496752117 /nfs/dbraw/zinc/75/21/17/496752117.db2.gz GSBIUQSCCVDRKF-HNNXBMFYSA-N 0 3 361.398 3.192 20 5 FGBDHN CN1CCN(CCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000574832576 505864034 /nfs/dbraw/zinc/86/40/34/505864034.db2.gz ZUSPZFPGGSCIHO-UHFFFAOYSA-N 0 3 361.273 3.340 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000569161901 505865789 /nfs/dbraw/zinc/86/57/89/505865789.db2.gz MMGVYTOGFBLIFY-WFASDCNBSA-N 0 3 361.398 3.056 20 5 FGBDHN COc1ccc(CN[C@H](C)c2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000268801347 496789756 /nfs/dbraw/zinc/78/97/56/496789756.db2.gz GIILOIICWXTDNC-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268864094 496808502 /nfs/dbraw/zinc/80/85/02/496808502.db2.gz KDODEXTYRHQNNB-GFCCVEGCSA-N 0 3 368.480 3.409 20 5 FGBDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892725 496815879 /nfs/dbraw/zinc/81/58/79/496815879.db2.gz JQMADLRXKTVDFI-HUUCEWRRSA-N 0 3 374.510 3.220 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000578123090 505867803 /nfs/dbraw/zinc/86/78/03/505867803.db2.gz NZCYXFIPHALQOB-FCGDIQPGSA-N 0 3 356.426 3.177 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000247331296 496836577 /nfs/dbraw/zinc/83/65/77/496836577.db2.gz ISCUVVIPXUHSIJ-IPYPFGDCSA-N 0 3 351.472 3.017 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247975497 496936021 /nfs/dbraw/zinc/93/60/21/496936021.db2.gz GIEAHFUPFNOJEX-MAUKXSAKSA-N 0 3 370.409 3.170 20 5 FGBDHN CSc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195621255 496954447 /nfs/dbraw/zinc/95/44/47/496954447.db2.gz ZIOBOEFCZFCKMB-CHWSQXEVSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1cc(C)c(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000195718782 496961477 /nfs/dbraw/zinc/96/14/77/496961477.db2.gz WWLLSYWXAGGYJH-UHFFFAOYSA-N 0 3 360.410 3.431 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000248372526 496985752 /nfs/dbraw/zinc/98/57/52/496985752.db2.gz ANKGKGCZVBHCTL-ROUUACIJSA-N 0 3 374.412 3.181 20 5 FGBDHN COc1ccc([C@@H](C)N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248374732 496985876 /nfs/dbraw/zinc/98/58/76/496985876.db2.gz SVNPNJKWJYHBQQ-GDBMZVCRSA-N 0 3 360.410 3.036 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274342700 497075641 /nfs/dbraw/zinc/07/56/41/497075641.db2.gz DMDMYUCYBPBKJV-GFCCVEGCSA-N 0 3 362.455 3.189 20 5 FGBDHN O=C(CCN[C@@H]1CCCc2c(O)cccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000192354403 497084982 /nfs/dbraw/zinc/08/49/82/497084982.db2.gz KBHWJSCSKZITLY-QGZVFWFLSA-N 0 3 355.394 3.296 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248720265 497088226 /nfs/dbraw/zinc/08/82/26/497088226.db2.gz CFKCQBFYHJLYLN-DNVCBOLYSA-N 0 3 353.422 3.154 20 5 FGBDHN O=C(CN[C@H](c1ccccc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192506642 497135299 /nfs/dbraw/zinc/13/52/99/497135299.db2.gz ZDMQQPNZSAQWTJ-LJQANCHMSA-N 0 3 369.377 3.003 20 5 FGBDHN COC[C@@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000574946611 505888380 /nfs/dbraw/zinc/88/83/80/505888380.db2.gz PQJAMUPIBKGNDQ-FOIQADDNSA-N 0 3 356.422 3.360 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274887766 497191805 /nfs/dbraw/zinc/19/18/05/497191805.db2.gz CTBVAOWIZPVOFT-UHFFFAOYSA-N 0 3 355.442 3.211 20 5 FGBDHN Cc1ccc(C(=O)NCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192715008 497193944 /nfs/dbraw/zinc/19/39/44/497193944.db2.gz ZJODZOZETUUHSB-IBGZPJMESA-N 0 3 353.422 3.300 20 5 FGBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266042061 497240216 /nfs/dbraw/zinc/24/02/16/497240216.db2.gz LLPNDWLNJSCZMT-UHFFFAOYSA-N 0 3 367.405 3.375 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000251533433 497275917 /nfs/dbraw/zinc/27/59/17/497275917.db2.gz NDNVMLGFIFPMKB-GDBMZVCRSA-N 0 3 369.421 3.169 20 5 FGBDHN CCc1cc(N2CCC[C@H](N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000245417532 497395606 /nfs/dbraw/zinc/39/56/06/497395606.db2.gz AAPSCCZVKKTIEJ-PBHICJAKSA-N 0 3 355.442 3.267 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000271749101 497436874 /nfs/dbraw/zinc/43/68/74/497436874.db2.gz RZMLRMMKGZFKRS-HNNXBMFYSA-N 0 3 374.441 3.331 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000275905240 497460316 /nfs/dbraw/zinc/46/03/16/497460316.db2.gz VCFGCBIGSGYAAL-GFCCVEGCSA-N 0 3 353.850 3.359 20 5 FGBDHN COc1ccccc1[C@H]1CNCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000261843069 497460640 /nfs/dbraw/zinc/46/06/40/497460640.db2.gz PIANFYBPYSTCJN-ZLQZBKBYSA-N 0 3 353.422 3.263 20 5 FGBDHN CC[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245627310 497480306 /nfs/dbraw/zinc/48/03/06/497480306.db2.gz YSJTZUWWYBTDDM-HBMCJLEFSA-N 0 3 369.465 3.271 20 5 FGBDHN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1=CCN(C)CC1 ZINC000276037934 497485374 /nfs/dbraw/zinc/48/53/74/497485374.db2.gz XFUKPUBZKXUWJC-AWEZNQCLSA-N 0 3 361.445 3.474 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000193810008 497489467 /nfs/dbraw/zinc/48/94/67/497489467.db2.gz WNGXFINHPVCKAQ-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN CC(=O)N1CCC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000279650522 497498813 /nfs/dbraw/zinc/49/88/13/497498813.db2.gz DZPLDTVQBGOQDG-CQSZACIVSA-N 0 3 374.466 3.066 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000267380050 497539144 /nfs/dbraw/zinc/53/91/44/497539144.db2.gz MJFXXXWRMYJSQB-IBGZPJMESA-N 0 3 364.442 3.024 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000245976234 497588368 /nfs/dbraw/zinc/58/83/68/497588368.db2.gz OTVXVEXQPLPYLW-USXIJHARSA-N 0 3 360.458 3.090 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000246261674 497676562 /nfs/dbraw/zinc/67/65/62/497676562.db2.gz LGDOVCLDWZBQOV-BHYGNILZSA-N 0 3 362.451 3.278 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301057005 497931918 /nfs/dbraw/zinc/93/19/18/497931918.db2.gz AEUFHYCSYMHGJK-QGZVFWFLSA-N 0 3 368.437 3.031 20 5 FGBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301089811 497946797 /nfs/dbraw/zinc/94/67/97/497946797.db2.gz ZIWAXIGJFVVRRV-KRWDZBQOSA-N 0 3 371.372 3.098 20 5 FGBDHN COc1cccc(CN(CCN(C)C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000569586049 505970839 /nfs/dbraw/zinc/97/08/39/505970839.db2.gz IWVQEFJRYSCRTN-UHFFFAOYSA-N 0 3 357.454 3.476 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C ZINC000581402344 505979981 /nfs/dbraw/zinc/97/99/81/505979981.db2.gz HCTOFCZAPCHQEI-FZKQIMNGSA-N 0 3 356.426 3.105 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285640851 498156343 /nfs/dbraw/zinc/15/63/43/498156343.db2.gz DGFQPRKMAGFNEL-IBGZPJMESA-N 0 3 371.462 3.395 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000581540184 506011217 /nfs/dbraw/zinc/01/12/17/506011217.db2.gz OWNCXAMELBPZOX-IIYDPXPESA-N 0 3 363.483 3.119 20 5 FGBDHN Cn1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2ccccc2)n1 ZINC000365119472 498304789 /nfs/dbraw/zinc/30/47/89/498304789.db2.gz ZQZWOBHLAUKNSS-UHFFFAOYSA-N 0 3 366.425 3.029 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293637269 498436717 /nfs/dbraw/zinc/43/67/17/498436717.db2.gz LXNSQBKFENOWLA-YPMHNXCESA-N 0 3 371.359 3.312 20 5 FGBDHN Cc1cc(NC[C@@H](O)COc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302191911 498436949 /nfs/dbraw/zinc/43/69/49/498436949.db2.gz RIXRLZNPPRZIIM-OAHLLOKOSA-N 0 3 371.368 3.442 20 5 FGBDHN C[C@@H](C(=O)Nc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000581644420 506035350 /nfs/dbraw/zinc/03/53/50/506035350.db2.gz MLHCCCKOIHAAIK-CQSZACIVSA-N 0 3 357.410 3.277 20 5 FGBDHN C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN(C2CCC2)C1 ZINC000293750576 498477151 /nfs/dbraw/zinc/47/71/51/498477151.db2.gz SKNFJRPSEXLOPI-ZDUSSCGKSA-N 0 3 356.426 3.023 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000332142895 498577026 /nfs/dbraw/zinc/57/70/26/498577026.db2.gz HBFLBSZLDOCGRT-GDBMZVCRSA-N 0 3 363.483 3.162 20 5 FGBDHN COc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302799250 498580247 /nfs/dbraw/zinc/58/02/47/498580247.db2.gz RYKFGCRBMSOFRJ-SFHVURJKSA-N 0 3 371.437 3.306 20 5 FGBDHN Cc1ccc([C@H](C)NCc2ccncc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000576069270 506068953 /nfs/dbraw/zinc/06/89/53/506068953.db2.gz HAQBHAXVDMHGJD-HNNXBMFYSA-N 0 3 358.442 3.089 20 5 FGBDHN C[C@]12CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]1C2(F)F ZINC000298303642 498727463 /nfs/dbraw/zinc/72/74/63/498727463.db2.gz PUJOKCQHFMSKOJ-HIFRSBDPSA-N 0 3 357.332 3.040 20 5 FGBDHN CCn1nccc1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366130519 498789831 /nfs/dbraw/zinc/78/98/31/498789831.db2.gz ZXCROMNCPPBNIY-UHFFFAOYSA-N 0 3 371.441 3.019 20 5 FGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294836436 498820890 /nfs/dbraw/zinc/82/08/90/498820890.db2.gz DPWJLAATORLJSQ-GOSISDBHSA-N 0 3 361.486 3.193 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000298689381 498850350 /nfs/dbraw/zinc/85/03/50/498850350.db2.gz BSBYVLZEMZQCQX-KRWDZBQOSA-N 0 3 369.469 3.335 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@H]3CCCC34CCOCC4)o2)cc1 ZINC000367064948 499142561 /nfs/dbraw/zinc/14/25/61/499142561.db2.gz GFTKYVTTXQVBQM-HNNXBMFYSA-N 0 3 358.398 3.084 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000367767309 499231906 /nfs/dbraw/zinc/23/19/06/499231906.db2.gz KPVMNPIOWPIGFW-ZBFHGGJFSA-N 0 3 371.441 3.103 20 5 FGBDHN C[C@@H](c1ccc2c(c1)OCCCO2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368036385 499258109 /nfs/dbraw/zinc/25/81/09/499258109.db2.gz ISLGUKWXSGXIGT-AWEZNQCLSA-N 0 3 372.425 3.351 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202013 499273705 /nfs/dbraw/zinc/27/37/05/499273705.db2.gz PDPSSRSTERWECO-BOFPYLFWSA-N 0 3 371.412 3.051 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2N2CCOCC2)c2ccncc21 ZINC000369005817 499356291 /nfs/dbraw/zinc/35/62/91/499356291.db2.gz XAPFXDWZECACHR-KBXCAEBGSA-N 0 3 356.426 3.056 20 5 FGBDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000371946639 499383257 /nfs/dbraw/zinc/38/32/57/499383257.db2.gz CNVQXENDADWFLK-GOSISDBHSA-N 0 3 371.441 3.111 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000369567323 499419462 /nfs/dbraw/zinc/41/94/62/499419462.db2.gz HOHQIZZCYAZXEI-BZNIZROVSA-N 0 3 363.414 3.218 20 5 FGBDHN Cc1cccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567529 499419512 /nfs/dbraw/zinc/41/95/12/499419512.db2.gz HWSHXVVBCGUUSG-GUYCJALGSA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1sc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369569017 499419683 /nfs/dbraw/zinc/41/96/83/499419683.db2.gz MULBOJVTINKFJB-IAQYHMDHSA-N 0 3 365.480 3.449 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372437861 499434911 /nfs/dbraw/zinc/43/49/11/499434911.db2.gz DBKDFLQZIPLROM-GUYCJALGSA-N 0 3 374.828 3.066 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1F ZINC000375155854 499490091 /nfs/dbraw/zinc/49/00/91/499490091.db2.gz BLWJEIHBLCLBEX-CQSZACIVSA-N 0 3 373.384 3.012 20 5 FGBDHN CC(C)c1nccn1C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378231042 499492620 /nfs/dbraw/zinc/49/26/20/499492620.db2.gz REGAIWQBUJYWHP-ROUUACIJSA-N 0 3 358.442 3.113 20 5 FGBDHN CCN1CCC(N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)CC1 ZINC000378271032 499496684 /nfs/dbraw/zinc/49/66/84/499496684.db2.gz HGZDLXRXTYXDTG-UHFFFAOYSA-N 0 3 370.453 3.094 20 5 FGBDHN COC[C@@]1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])OCCc2ccccc21 ZINC000573219786 506147409 /nfs/dbraw/zinc/14/74/09/506147409.db2.gz NNEQCLPSECGBDA-TZIWHRDSSA-N 0 3 368.433 3.286 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000573237593 506150070 /nfs/dbraw/zinc/15/00/70/506150070.db2.gz QXYWGZPUGTXXBW-YJBOKZPZSA-N 0 3 353.422 3.296 20 5 FGBDHN CC(C)Oc1cc(C(=O)NCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000411593991 499766956 /nfs/dbraw/zinc/76/69/56/499766956.db2.gz OJOXXIQVRDLSIY-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414312781 499776708 /nfs/dbraw/zinc/77/67/08/499776708.db2.gz JUUGVAARNXXLKC-SUMWQHHRSA-N 0 3 357.385 3.060 20 5 FGBDHN CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000414504886 499800253 /nfs/dbraw/zinc/80/02/53/499800253.db2.gz PKYHHPGCRTXVCX-SUMWQHHRSA-N 0 3 364.833 3.332 20 5 FGBDHN CN(C)CCN(C)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000428896385 499954898 /nfs/dbraw/zinc/95/48/98/499954898.db2.gz BPGQDKPNOVSYDA-UHFFFAOYSA-N 0 3 358.398 3.412 20 5 FGBDHN CCCN1C[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000421356116 500024875 /nfs/dbraw/zinc/02/48/75/500024875.db2.gz WBWRVTWHHKJFIT-ZDUSSCGKSA-N 0 3 374.466 3.066 20 5 FGBDHN COc1ccc(COC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429261666 500036790 /nfs/dbraw/zinc/03/67/90/500036790.db2.gz BWIXVOCJQWRSID-MRXNPFEDSA-N 0 3 374.437 3.006 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000421523957 500071091 /nfs/dbraw/zinc/07/10/91/500071091.db2.gz OULGTEWMTCRQFM-UHFFFAOYSA-N 0 3 361.467 3.477 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000421565543 500083020 /nfs/dbraw/zinc/08/30/20/500083020.db2.gz XREDMFZKXHBKLT-UHFFFAOYSA-N 0 3 361.467 3.477 20 5 FGBDHN CC[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000422083745 500212621 /nfs/dbraw/zinc/21/26/21/500212621.db2.gz JCLTZPHWORCPNG-NSHDSACASA-N 0 3 369.215 3.478 20 5 FGBDHN O=C(NCc1ccc2c(c1)CNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418552870 500290349 /nfs/dbraw/zinc/29/03/49/500290349.db2.gz LDFQLMYTGKVCBV-UHFFFAOYSA-N 0 3 366.421 3.072 20 5 FGBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000431666015 500405719 /nfs/dbraw/zinc/40/57/19/500405719.db2.gz HXPUTZMHGFYPMT-KVXWZYBTSA-N 0 3 356.426 3.078 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000431872165 500437185 /nfs/dbraw/zinc/43/71/85/500437185.db2.gz SUUCDXBOJZAPRM-CABCVRRESA-N 0 3 362.474 3.392 20 5 FGBDHN C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000420594319 500475852 /nfs/dbraw/zinc/47/58/52/500475852.db2.gz DIBVCCWEPQFIKT-GDBMZVCRSA-N 0 3 368.437 3.159 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3.219 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@@H]2CCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596076322 506243217 /nfs/dbraw/zinc/24/32/17/506243217.db2.gz PDNSFPWRRZMNJS-PWSUYJOCSA-N 0 3 353.806 3.074 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272460 501304627 /nfs/dbraw/zinc/30/46/27/501304627.db2.gz UYCFTQOKKDOZEC-RTWAWAEBSA-N 0 3 369.465 3.121 20 5 FGBDHN CC(C)[C@@H](CO)[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000451619576 501338041 /nfs/dbraw/zinc/33/80/41/501338041.db2.gz XVHSSNPEKMORNZ-NVXWUHKLSA-N 0 3 362.430 3.024 20 5 FGBDHN O=[N+]([O-])c1cccnc1N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000453577363 501351997 /nfs/dbraw/zinc/35/19/97/501351997.db2.gz OANUCYNVRMBLDU-UHFFFAOYSA-N 0 3 372.391 3.481 20 5 FGBDHN CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCCC1 ZINC000453616359 501363154 /nfs/dbraw/zinc/36/31/54/501363154.db2.gz NVRJCPDVFSBFRO-GOSISDBHSA-N 0 3 364.442 3.128 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000458198307 501390202 /nfs/dbraw/zinc/39/02/02/501390202.db2.gz HKSJUHIANOODBM-UHFFFAOYSA-N 0 3 372.450 3.342 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458205834 501392728 /nfs/dbraw/zinc/39/27/28/501392728.db2.gz YYQXULKXZASHQY-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971852 506253275 /nfs/dbraw/zinc/25/32/75/506253275.db2.gz GZTJFQFRPPXQIZ-KDOFPFPSSA-N 0 3 360.458 3.362 20 5 FGBDHN C[C@H](NC(=O)NCCCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454201578 501481198 /nfs/dbraw/zinc/48/11/98/501481198.db2.gz ATIBVRTUJUGNMX-INIZCTEOSA-N 0 3 370.453 3.477 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452781639 501561114 /nfs/dbraw/zinc/56/11/14/501561114.db2.gz WZPMMOFFOPCPCH-HNNXBMFYSA-N 0 3 363.458 3.234 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454621161 501594483 /nfs/dbraw/zinc/59/44/83/501594483.db2.gz PDCYYSJHOXQARI-SJLPKXTDSA-N 0 3 374.485 3.358 20 5 FGBDHN COc1cc(CNCC(C)(C)c2ccc(C)cn2)c([N+](=O)[O-])cc1OC ZINC000598992235 506267177 /nfs/dbraw/zinc/26/71/77/506267177.db2.gz YSEXSKRTQFIDEZ-UHFFFAOYSA-N 0 3 359.426 3.383 20 5 FGBDHN Cc1ccc([C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N2CCCC2)o1 ZINC000611709823 506267526 /nfs/dbraw/zinc/26/75/26/506267526.db2.gz KQXRIDXZASLFSD-QGZVFWFLSA-N 0 3 367.409 3.110 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1c2ccccc2C(=O)N1C ZINC000599000416 506270850 /nfs/dbraw/zinc/27/08/50/506270850.db2.gz TVNQMDXBXIGIDP-CPPNXCSESA-N 0 3 351.406 3.415 20 5 FGBDHN CC(=O)NCCc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477749669 501777050 /nfs/dbraw/zinc/77/70/50/501777050.db2.gz MCQBBWJXOZWVPP-OAHLLOKOSA-N 0 3 355.438 3.433 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000481611164 501831316 /nfs/dbraw/zinc/83/13/16/501831316.db2.gz QCHCBUIMZSVHIH-UHFFFAOYSA-N 0 3 374.412 3.182 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000474632830 501901938 /nfs/dbraw/zinc/90/19/38/501901938.db2.gz RJKLQYXFYMZBND-UHFFFAOYSA-N 0 3 364.405 3.499 20 5 FGBDHN O=[N+]([O-])c1ccccc1CCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000468008730 501928865 /nfs/dbraw/zinc/92/88/65/501928865.db2.gz DEYYPTPFKDMPBZ-UHFFFAOYSA-N 0 3 354.385 3.311 20 5 FGBDHN COC(=O)c1cnc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283584 501930986 /nfs/dbraw/zinc/93/09/86/501930986.db2.gz SAXYXBJSRMMMLI-CZUORRHYSA-N 0 3 370.409 3.024 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000481989926 501938641 /nfs/dbraw/zinc/93/86/41/501938641.db2.gz JTBRAYKSKVVKQB-UHFFFAOYSA-N 0 3 374.416 3.393 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)COCc2ccccc2)c(Cl)c1 ZINC000599023640 506283719 /nfs/dbraw/zinc/28/37/19/506283719.db2.gz WMMKYBYVALXRKQ-QGZVFWFLSA-N 0 3 364.829 3.306 20 5 FGBDHN Cc1cc(NC2CCN(CCOc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000474778660 501949621 /nfs/dbraw/zinc/94/96/21/501949621.db2.gz CRMMJQBGUAPGGD-UHFFFAOYSA-N 0 3 374.416 3.393 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169735 506290682 /nfs/dbraw/zinc/29/06/82/506290682.db2.gz UMCXYHNWQKAVDK-IAGOWNOFSA-N 0 3 368.437 3.186 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169735 506290688 /nfs/dbraw/zinc/29/06/88/506290688.db2.gz UMCXYHNWQKAVDK-IAGOWNOFSA-N 0 3 368.437 3.186 20 5 FGBDHN CCNc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471579053 502072503 /nfs/dbraw/zinc/07/25/03/502072503.db2.gz UCVGRXIIWRTGEB-KUHUBIRLSA-N 0 3 370.453 3.448 20 5 FGBDHN COc1cc(CN2C[C@@H](O)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804557 502141555 /nfs/dbraw/zinc/14/15/55/502141555.db2.gz MSDSGCHAWFCSDV-KSSFIOAISA-N 0 3 372.421 3.138 20 5 FGBDHN COCC[C@H]1CCCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000468700558 502151609 /nfs/dbraw/zinc/15/16/09/502151609.db2.gz 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Cc1ccc([C@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000556914766 505015259 /nfs/dbraw/zinc/01/52/59/505015259.db2.gz CMUOOUDYILAKAE-DOTOQJQBSA-N 0 3 360.458 3.234 20 5 FGBDHN CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000560285698 505038823 /nfs/dbraw/zinc/03/88/23/505038823.db2.gz ZADWMXSARJMWCQ-QRGKHIHXSA-N 0 3 351.450 3.467 20 5 FGBDHN COc1ccc(CNC[C@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000550764668 505096959 /nfs/dbraw/zinc/09/69/59/505096959.db2.gz YCOOLXXGVGNKBE-INIZCTEOSA-N 0 3 374.437 3.256 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@H](c2ccco2)N2CCCC2)s1 ZINC000557477468 505145506 /nfs/dbraw/zinc/14/55/06/505145506.db2.gz QODQQNWTADRXBT-GFCCVEGCSA-N 0 3 359.411 3.442 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)o1 ZINC000560627719 505149299 /nfs/dbraw/zinc/14/92/99/505149299.db2.gz LQAXCXDIROBMBA-PMACEKPBSA-N 0 3 372.421 3.265 20 5 FGBDHN CC(C)[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000560638045 505150877 /nfs/dbraw/zinc/15/08/77/505150877.db2.gz DOFXZFJCEAAUDP-GOSISDBHSA-N 0 3 358.442 3.242 20 5 FGBDHN O=[N+]([O-])c1cccnc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000566401193 505165133 /nfs/dbraw/zinc/16/51/33/505165133.db2.gz WPQUDGGTFMRKCL-MRXNPFEDSA-N 0 3 359.451 3.373 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000554737695 505253083 /nfs/dbraw/zinc/25/30/83/505253083.db2.gz QDWRULRFRUISIM-UHFFFAOYSA-N 0 3 363.364 3.158 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)sc(=O)n2C ZINC000555339941 505412151 /nfs/dbraw/zinc/41/21/51/505412151.db2.gz MJHLQAFQGNWZAG-UHFFFAOYSA-N 0 3 357.435 3.183 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561763287 505430717 /nfs/dbraw/zinc/43/07/17/505430717.db2.gz ZAGDLWWFPSQUQK-MQIPJXDCSA-N 0 3 351.834 3.051 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2ccc(F)cc2C1 ZINC000561782015 505436241 /nfs/dbraw/zinc/43/62/41/505436241.db2.gz KGNQCRKQCUDNOO-LRDDRELGSA-N 0 3 373.384 3.044 20 5 FGBDHN Cc1c([C@@H](C)NCc2ccncc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000567513761 505485493 /nfs/dbraw/zinc/48/54/93/505485493.db2.gz JYLADODXGLVAOQ-OAHLLOKOSA-N 0 3 358.442 3.089 20 5 FGBDHN CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000593092504 506388694 /nfs/dbraw/zinc/38/86/94/506388694.db2.gz NTBJZVFRUWYMOQ-SFHVURJKSA-N 0 3 371.412 3.009 20 5 FGBDHN COc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000593126476 506408985 /nfs/dbraw/zinc/40/89/85/506408985.db2.gz VVLQRUKXHMDIIG-MNOVXSKESA-N 0 3 362.304 3.290 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000612098090 506432799 /nfs/dbraw/zinc/43/27/99/506432799.db2.gz BHGODQWKHIJDTF-INIZCTEOSA-N 0 3 360.385 3.143 20 5 FGBDHN O=[N+]([O-])c1cc(N2CCC(CN3CCOCC3)CC2)ccc1C(F)(F)F ZINC000589108253 506443536 /nfs/dbraw/zinc/44/35/36/506443536.db2.gz TXCUIMAIYYXGSV-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512276 506479831 /nfs/dbraw/zinc/47/98/31/506479831.db2.gz HJRABCZVRNKLQJ-VXGBXAGGSA-N 0 3 371.384 3.155 20 5 FGBDHN CC1(C)C[C@@H](NCc2ccc(CC(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000589344900 506524276 /nfs/dbraw/zinc/52/42/76/506524276.db2.gz ZBQHZJKAGXCKGJ-GOSISDBHSA-N 0 3 353.422 3.135 20 5 FGBDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583035367 506554528 /nfs/dbraw/zinc/55/45/28/506554528.db2.gz SYNWDMMBDMOTRD-BXWFABGCSA-N 0 3 356.426 3.479 20 5 FGBDHN O=[N+]([O-])c1ccccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593496901 506653787 /nfs/dbraw/zinc/65/37/87/506653787.db2.gz XXWWZLMYMRYWOA-PMACEKPBSA-N 0 3 353.422 3.075 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830922 506664289 /nfs/dbraw/zinc/66/42/89/506664289.db2.gz ZNMVVAKCDNQNCH-UONOGXRCSA-N 0 3 371.441 3.385 20 5 FGBDHN CNc1ccc(C(=O)N2CCCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000604187477 506741878 /nfs/dbraw/zinc/74/18/78/506741878.db2.gz YROUZAIFFVBJTC-UHFFFAOYSA-N 0 3 374.485 3.365 20 5 FGBDHN CCN1C[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593723626 506749014 /nfs/dbraw/zinc/74/90/14/506749014.db2.gz OUZFNVUQCBVUAL-QRWLVFNGSA-N 0 3 353.422 3.142 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1CN1CCCCC1 ZINC000609024378 506764733 /nfs/dbraw/zinc/76/47/33/506764733.db2.gz WQVJVBZRYWJCRH-MRXNPFEDSA-N 0 3 357.410 3.432 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC000593882667 506819308 /nfs/dbraw/zinc/81/93/08/506819308.db2.gz JPFKJWWUSGKTBM-UHFFFAOYSA-N 0 3 351.472 3.265 20 5 FGBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000604403223 506820115 /nfs/dbraw/zinc/82/01/15/506820115.db2.gz WMEQFPRPNSFIRJ-LSDHHAIUSA-N 0 3 353.422 3.093 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000593897490 506825113 /nfs/dbraw/zinc/82/51/13/506825113.db2.gz MDBMAIWPDBMGAM-IUODEOHRSA-N 0 3 363.389 3.115 20 5 FGBDHN O=C1CCCN1C[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597228848 506847939 /nfs/dbraw/zinc/84/79/39/506847939.db2.gz PNAVAAKUQMEKSR-OAHLLOKOSA-N 0 3 369.421 3.299 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)[C@@](C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000597234876 506851112 /nfs/dbraw/zinc/85/11/12/506851112.db2.gz CMVWQBWWIVOMDT-BFUOFWGJSA-N 0 3 360.410 3.314 20 5 FGBDHN Cn1cc([C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000593998714 506874611 /nfs/dbraw/zinc/87/46/11/506874611.db2.gz VEXKGTQGHBSMBZ-SFHVURJKSA-N 0 3 358.442 3.223 20 5 FGBDHN C[C@H](CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000609773714 506996161 /nfs/dbraw/zinc/99/61/61/506996161.db2.gz BOQPWSKRINAIKL-CYBMUJFWSA-N 0 3 358.398 3.459 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609833261 507017703 /nfs/dbraw/zinc/01/77/03/507017703.db2.gz FSVFGHUTIGZORH-KGLIPLIRSA-N 0 3 351.472 3.066 20 5 FGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597922470 507175730 /nfs/dbraw/zinc/17/57/30/507175730.db2.gz DEGYSXRLJZOJMP-AAEUAGOBSA-N 0 3 369.849 3.005 20 5 FGBDHN Cc1cc(C)cc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000610391350 507223623 /nfs/dbraw/zinc/22/36/23/507223623.db2.gz WWYNUIYHCCCORR-INIZCTEOSA-N 0 3 356.426 3.172 20 5 FGBDHN COC1(C(F)(F)F)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591376874 507226175 /nfs/dbraw/zinc/22/61/75/507226175.db2.gz OHRIKPWMIUEAID-UHFFFAOYSA-N 0 3 362.348 3.407 20 5 FGBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000598218024 507321235 /nfs/dbraw/zinc/32/12/35/507321235.db2.gz CKUWGEJNMLKPKQ-MRXNPFEDSA-N 0 3 373.453 3.081 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000598261942 507349749 /nfs/dbraw/zinc/34/97/49/507349749.db2.gz JFMUZZZOXCUNIE-CABCVRRESA-N 0 3 365.499 3.312 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccc(NC(C)=O)cc1 ZINC000595012830 507354464 /nfs/dbraw/zinc/35/44/64/507354464.db2.gz PBPZHNUYIVLSTH-ZDUSSCGKSA-N 0 3 357.410 3.455 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601465696 507368521 /nfs/dbraw/zinc/36/85/21/507368521.db2.gz WRBKSZNRFBZXLM-GOSISDBHSA-N 0 3 371.412 3.374 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000601516071 507377404 /nfs/dbraw/zinc/37/74/04/507377404.db2.gz KSSFVXFVHOXMOT-ACJLOTCBSA-N 0 3 359.401 3.464 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595079914 507382917 /nfs/dbraw/zinc/38/29/17/507382917.db2.gz HPJJGUBJDKUTAK-JCKWVBRZSA-N 0 3 358.442 3.399 20 5 FGBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000598341587 507385071 /nfs/dbraw/zinc/38/50/71/507385071.db2.gz DFRDEBUANTUTJJ-CYBMUJFWSA-N 0 3 351.472 3.309 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CCC)C1 ZINC000598341892 507385314 /nfs/dbraw/zinc/38/53/14/507385314.db2.gz HWAISLCOHVKONK-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN Cc1c([C@@H](C)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cccc1[N+](=O)[O-] ZINC000595094045 507388478 /nfs/dbraw/zinc/38/84/78/507388478.db2.gz AICNINWIGOJYEO-ATZDWAIDSA-N 0 3 359.470 3.197 20 5 FGBDHN CC(C)(C(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595257380 507442518 /nfs/dbraw/zinc/44/25/18/507442518.db2.gz JJGHQOVZNHWPHS-GOSISDBHSA-N 0 3 369.421 3.172 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccccc3F)CCC2)c1 ZINC000592144538 507507987 /nfs/dbraw/zinc/50/79/87/507507987.db2.gz MBJSXACTXWHQMX-HNNXBMFYSA-N 0 3 360.385 3.143 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592153935 507509508 /nfs/dbraw/zinc/50/95/08/507509508.db2.gz DMTWUIDSHHGUJQ-MAUKXSAKSA-N 0 3 353.422 3.294 20 5 FGBDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271262 507594331 /nfs/dbraw/zinc/59/43/31/507594331.db2.gz DCXPNVGRLJHNST-CYBMUJFWSA-N 0 3 358.394 3.135 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCOc4ccccc43)C2)nc1 ZINC000611272358 507597435 /nfs/dbraw/zinc/59/74/35/507597435.db2.gz BCCXKALNSAJYLF-HUUCEWRRSA-N 0 3 354.410 3.042 20 5 FGBDHN COc1ccc(CC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000592296067 507598748 /nfs/dbraw/zinc/59/87/48/507598748.db2.gz ZTHDPKJLWWFGRJ-KRWDZBQOSA-N 0 3 371.437 3.086 20 5 FGBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000595631332 507602610 /nfs/dbraw/zinc/60/26/10/507602610.db2.gz HJOOXTUSJLCJTO-QGTPRVQTSA-N 0 3 366.458 3.038 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404312 507664719 /nfs/dbraw/zinc/66/47/19/507664719.db2.gz GJTXKVPSVVEKBJ-VQIMIIECSA-N 0 3 357.454 3.047 20 5 FGBDHN CCN(CC)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccsc1 ZINC000587197368 507706709 /nfs/dbraw/zinc/70/67/09/507706709.db2.gz GVSBESPHLZFDRB-INIZCTEOSA-N 0 3 364.471 3.226 20 5 FGBDHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(Cl)cc1 ZINC000587989928 507725799 /nfs/dbraw/zinc/72/57/99/507725799.db2.gz IBXSEHYWDCMIEL-INIZCTEOSA-N 0 3 364.833 3.038 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCOc4ccc(F)cc43)CC2)cn1 ZINC000602541667 507742806 /nfs/dbraw/zinc/74/28/06/507742806.db2.gz YSTHIDKGGMPUGH-KRWDZBQOSA-N 0 3 372.400 3.211 20 5 FGBDHN CCc1ccc([C@@H](COC)NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602546656 507744094 /nfs/dbraw/zinc/74/40/94/507744094.db2.gz KBGMAJQLRGJILX-QGZVFWFLSA-N 0 3 374.441 3.091 20 5 FGBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592694668 507766827 /nfs/dbraw/zinc/76/68/27/507766827.db2.gz NFBQJKPFSWILNA-GOSISDBHSA-N 0 3 368.437 3.115 20 5 FGBDHN CC(C)N(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592694604 507767328 /nfs/dbraw/zinc/76/73/28/507767328.db2.gz ISRMANXQMFUQAR-QGZVFWFLSA-N 0 3 370.453 3.058 20 5 FGBDHN Cc1cc(N2CCN(CC(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301066499 719338609 /nfs/dbraw/zinc/33/86/09/719338609.db2.gz APLYQSXDLCUMDQ-UHFFFAOYSA-N 0 3 355.442 3.138 20 5 FGBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000770375919 723712134 /nfs/dbraw/zinc/71/21/34/723712134.db2.gz SJELINGJMMYQED-UHFFFAOYSA-N 0 3 356.806 3.046 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000788962339 725099259 /nfs/dbraw/zinc/09/92/59/725099259.db2.gz ALSMAOKRVPCQCZ-LBPRGKRZSA-N 0 3 364.423 3.367 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@H](O)c2ccccc2)c1 ZINC000809747506 725264582 /nfs/dbraw/zinc/26/45/82/725264582.db2.gz RXSKOEHDVTUAIH-OAHLLOKOSA-N 0 3 352.337 3.410 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000811812434 725381176 /nfs/dbraw/zinc/38/11/76/725381176.db2.gz RLESRJAMJHHMJG-VHSXEESVSA-N 0 3 353.806 3.072 20 5 FGBDHN CC(COC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N+](=O)[O-] ZINC000813102215 726838864 /nfs/dbraw/zinc/83/88/64/726838864.db2.gz PJMHVJNMIOAKMH-LURJTMIESA-N 0 3 372.093 3.170 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1Cl ZINC000836497959 729957748 /nfs/dbraw/zinc/95/77/48/729957748.db2.gz BGSTXHNRVBZCAD-ZDUSSCGKSA-N 0 3 353.850 3.407 20 5 FGBDHN CC([C@H](OC(=O)CSCc1cscn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875143 730905034 /nfs/dbraw/zinc/90/50/34/730905034.db2.gz KJGYYWVKEAESKV-BMIGLBTASA-N 0 3 370.427 3.465 20 5 FGBDHN CCOC(=O)C(C)(C)CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883544 730906154 /nfs/dbraw/zinc/90/61/54/730906154.db2.gz UOAWVYVKNMBYLR-XHDPSFHLSA-N 0 3 355.362 3.055 20 5 FGBDHN Cc1cccc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)c1Br ZINC000877464102 736222136 /nfs/dbraw/zinc/22/21/36/736222136.db2.gz GDTBGDZZYVAIBG-UHFFFAOYSA-N 0 3 365.231 3.356 20 5 FGBDHN Cc1cc(Br)c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000877630547 736696413 /nfs/dbraw/zinc/69/64/13/736696413.db2.gz KVVLBFQZBIHIAN-UHFFFAOYSA-N 0 3 371.260 3.417 20 5 FGBDHN COc1ccc(OCCN2CCC3(CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000880454844 737175822 /nfs/dbraw/zinc/17/58/22/737175822.db2.gz KKPIPZRQUBIECY-UHFFFAOYSA-N 0 3 350.415 3.017 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)CO1 ZINC000883254939 737541955 /nfs/dbraw/zinc/54/19/55/737541955.db2.gz HDCOHWGLCJVWPN-OAHLLOKOSA-N 0 3 354.834 3.314 20 5 FGBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000890069554 739753376 /nfs/dbraw/zinc/75/33/76/739753376.db2.gz ZMMBEEBFKJPKRA-UHFFFAOYSA-N 0 3 359.348 3.075 20 5 FGBDHN Cc1nc([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000895011470 742364527 /nfs/dbraw/zinc/36/45/27/742364527.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 0 3 355.320 3.030 20 5 FGBDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000895011470 742364534 /nfs/dbraw/zinc/36/45/34/742364534.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 0 3 355.320 3.030 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cnc(Br)cn1 ZINC000895407765 742408170 /nfs/dbraw/zinc/40/81/70/742408170.db2.gz HNPNTTCJOUCUEH-NSHDSACASA-N 0 3 365.231 3.258 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](CO)Cc1ccoc1 ZINC000895584123 742429402 /nfs/dbraw/zinc/42/94/02/742429402.db2.gz CDWMZAHTQCBJHS-LBPRGKRZSA-N 0 3 358.316 3.147 20 5 FGBDHN CC(C)O[C@]1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000896667556 742580489 /nfs/dbraw/zinc/58/04/89/742580489.db2.gz MWXBLUDJTPUUHC-HNNXBMFYSA-N 0 3 362.348 3.287 20 5 FGBDHN Cc1ccc([C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000921268154 758678404 /nfs/dbraw/zinc/67/84/04/758678404.db2.gz GIISNGQMVVZWPE-QGZVFWFLSA-N 0 3 358.467 3.493 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccncc3-c3cccnc3)C2)nc1 ZINC000376405084 257469639 /nfs/dbraw/zinc/46/96/39/257469639.db2.gz BYALBKMYSHQXSB-OAHLLOKOSA-N 0 3 362.393 3.138 20 5 FGBDHN CCN1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C[C@@H]1C ZINC000570854939 505595954 /nfs/dbraw/zinc/59/59/54/505595954.db2.gz QQNASNLCYNOGGP-KBPBESRZSA-N 0 3 370.457 3.107 20 5 FGBDHN CCC(CC)Nc1ccncc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570858862 505596662 /nfs/dbraw/zinc/59/66/62/505596662.db2.gz YKWCUHUBFNGXNY-UHFFFAOYSA-N 0 3 358.398 3.030 20 5 FGBDHN C[C@H]1CCc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573727159 505605572 /nfs/dbraw/zinc/60/55/72/505605572.db2.gz OIYFJRVQBMOUTO-IFXJQAMLSA-N 0 3 374.462 3.282 20 5 FGBDHN CC(C)N1CCC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000579864834 505634997 /nfs/dbraw/zinc/63/49/97/505634997.db2.gz XHFGDTWOYKBFDY-UHFFFAOYSA-N 0 3 368.437 3.259 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cccc(CN2CCOCC2)c1 ZINC000579977888 505656230 /nfs/dbraw/zinc/65/62/30/505656230.db2.gz LDBMLMYDUQCWTP-HXUWFJFHSA-N 0 3 367.449 3.204 20 5 FGBDHN COCC[C@H](COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568377769 505679674 /nfs/dbraw/zinc/67/96/74/505679674.db2.gz SXCZOSWOGFJWES-CQSZACIVSA-N 0 3 350.440 3.464 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081126674 493837770 /nfs/dbraw/zinc/83/77/70/493837770.db2.gz LFYDTYYBBYYPCP-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN CN(CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000029526811 493842276 /nfs/dbraw/zinc/84/22/76/493842276.db2.gz FWZVHMJJUMIRJX-UHFFFAOYSA-N 0 3 369.487 3.065 20 5 FGBDHN Cc1cccc2c1OCC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574073569 505687670 /nfs/dbraw/zinc/68/76/70/505687670.db2.gz JWOQLNQDOKWXHW-OAHLLOKOSA-N 0 3 355.394 3.345 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000060238990 493919602 /nfs/dbraw/zinc/91/96/02/493919602.db2.gz MREGJECGXAHXCT-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(Cc2cccs2)CC1 ZINC000061569187 493983482 /nfs/dbraw/zinc/98/34/82/493983482.db2.gz CTNSGMRXCZSBLV-UHFFFAOYSA-N 0 3 373.478 3.227 20 5 FGBDHN O=C(Nc1ccccc1)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052315305 494017975 /nfs/dbraw/zinc/01/79/75/494017975.db2.gz DUWALVRPFWDJMC-INIZCTEOSA-N 0 3 369.421 3.324 20 5 FGBDHN O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F ZINC000052727694 494057958 /nfs/dbraw/zinc/05/79/58/494057958.db2.gz SLBDIJAJMNHKLC-UHFFFAOYSA-N 0 3 371.412 3.171 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000063542072 494064106 /nfs/dbraw/zinc/06/41/06/494064106.db2.gz QNIIFTPKWMEHTH-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000070928671 494070406 /nfs/dbraw/zinc/07/04/06/494070406.db2.gz ANQHZRYTNDZRJU-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN NC(=O)c1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000078246662 494260693 /nfs/dbraw/zinc/26/06/93/494260693.db2.gz SXUIRBXGVFAXQC-OAHLLOKOSA-N 0 3 360.439 3.004 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043238915 494278447 /nfs/dbraw/zinc/27/84/47/494278447.db2.gz RFMZVVPZFAKPEB-SFHVURJKSA-N 0 3 368.437 3.011 20 5 FGBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000089623837 494333109 /nfs/dbraw/zinc/33/31/09/494333109.db2.gz XKVANCIROPLIJU-GFCCVEGCSA-N 0 3 363.364 3.262 20 5 FGBDHN Cc1c([C@@H](C)NCCNC(=O)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000089624061 494333441 /nfs/dbraw/zinc/33/34/41/494333441.db2.gz NSFBWWAQDFHCFJ-GFCCVEGCSA-N 0 3 363.364 3.262 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000055406689 494339486 /nfs/dbraw/zinc/33/94/86/494339486.db2.gz ACJJSPTYPBYXTG-ZIAGYGMSSA-N 0 3 360.458 3.019 20 5 FGBDHN CSc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000015171789 494342251 /nfs/dbraw/zinc/34/22/51/494342251.db2.gz FGMGJXYNKASXSM-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000016599942 494395923 /nfs/dbraw/zinc/39/59/23/494395923.db2.gz CJBCTAGRGJANJN-QGZVFWFLSA-N 0 3 359.451 3.349 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N(C)C)cc1 ZINC000018017108 494421430 /nfs/dbraw/zinc/42/14/30/494421430.db2.gz DENSJERYAATEMT-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000079553899 494479722 /nfs/dbraw/zinc/47/97/22/494479722.db2.gz WAIDJEUYXMYCOD-VQIMIIECSA-N 0 3 367.449 3.307 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000090553263 494481233 /nfs/dbraw/zinc/48/12/33/494481233.db2.gz ADXFOMXSKIBTRU-IBGZPJMESA-N 0 3 353.422 3.299 20 5 FGBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000121287439 494682422 /nfs/dbraw/zinc/68/24/22/494682422.db2.gz XBLADTJFQPSLAG-UHFFFAOYSA-N 0 3 371.437 3.380 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000068134858 494774771 /nfs/dbraw/zinc/77/47/71/494774771.db2.gz YVDRDTAHNAENRC-INIZCTEOSA-N 0 3 363.483 3.164 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000121529253 494792878 /nfs/dbraw/zinc/79/28/78/494792878.db2.gz VKIDZXQFHOUXAG-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026729960 494835950 /nfs/dbraw/zinc/83/59/50/494835950.db2.gz DULXFXGGXLEWCK-LBPRGKRZSA-N 0 3 357.439 3.163 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000132348142 494860483 /nfs/dbraw/zinc/86/04/83/494860483.db2.gz HBVDKRFNUHVVJD-SFHVURJKSA-N 0 3 359.401 3.329 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](CN3CCOCC3)C2)o1 ZINC000093664525 494909784 /nfs/dbraw/zinc/90/97/84/494909784.db2.gz UMNLYOZUPGBIIO-MRXNPFEDSA-N 0 3 371.437 3.009 20 5 FGBDHN Cc1cccc(CN2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000132874971 494936679 /nfs/dbraw/zinc/93/66/79/494936679.db2.gz FMMYXCHFDWIFLQ-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000134275113 495128975 /nfs/dbraw/zinc/12/89/75/495128975.db2.gz ICBHRMVCOJKPOG-QGZVFWFLSA-N 0 3 353.422 3.319 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134917029 495222484 /nfs/dbraw/zinc/22/24/84/495222484.db2.gz FBZPODNORVCMOH-BBRMVZONSA-N 0 3 357.385 3.127 20 5 FGBDHN C[C@@H](O)CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000104965309 495319549 /nfs/dbraw/zinc/31/95/49/495319549.db2.gz FRSZYSDHJXRLJJ-CYBMUJFWSA-N 0 3 360.414 3.160 20 5 FGBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000114475548 495380760 /nfs/dbraw/zinc/38/07/60/495380760.db2.gz ORJUIYXHKUJCAF-SECBINFHSA-N 0 3 358.236 3.320 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc2C1 ZINC000114489738 495385145 /nfs/dbraw/zinc/38/51/45/495385145.db2.gz CWVFMWBKTDMMMP-GOSISDBHSA-N 0 3 354.406 3.451 20 5 FGBDHN COc1cc(CN[C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000136703043 495396285 /nfs/dbraw/zinc/39/62/85/495396285.db2.gz WXUMMROBJUIAFO-CQSZACIVSA-N 0 3 350.415 3.193 20 5 FGBDHN C[C@H](C1CC1)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577717771 505782348 /nfs/dbraw/zinc/78/23/48/505782348.db2.gz MTBRDKIRPHEUET-SECBINFHSA-N 0 3 360.195 3.430 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000141778539 495510971 /nfs/dbraw/zinc/51/09/71/495510971.db2.gz GDHVJWGNFZYUJN-INIZCTEOSA-N 0 3 374.485 3.181 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN(CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC000176226370 495553228 /nfs/dbraw/zinc/55/32/28/495553228.db2.gz WTAZEVOCYWOBLE-UHFFFAOYSA-N 0 3 369.400 3.070 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000182424314 495559299 /nfs/dbraw/zinc/55/92/99/495559299.db2.gz KAFQKSAZEBUKDF-IBGZPJMESA-N 0 3 370.449 3.432 20 5 FGBDHN O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000159085829 495654804 /nfs/dbraw/zinc/65/48/04/495654804.db2.gz NHVYIRCIBCGMNM-ZDUSSCGKSA-N 0 3 373.359 3.498 20 5 FGBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000179627833 495666837 /nfs/dbraw/zinc/66/68/37/495666837.db2.gz IMAZJZAWDKDYFJ-KSSFIOAISA-N 0 3 366.364 3.354 20 5 FGBDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000159372625 495719363 /nfs/dbraw/zinc/71/93/63/495719363.db2.gz GPSGEPMOVZRESL-CQSZACIVSA-N 0 3 362.451 3.282 20 5 FGBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171091990 495721157 /nfs/dbraw/zinc/72/11/57/495721157.db2.gz KPSFEYWNTBJQDT-MRXNPFEDSA-N 0 3 353.422 3.463 20 5 FGBDHN COc1ccc([C@H]2CCCCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159717012 495793900 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FGBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000171948231 496105159 /nfs/dbraw/zinc/10/51/59/496105159.db2.gz YMGUWJGTJLPZHR-UHFFFAOYSA-N 0 3 369.512 3.138 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152375989 496131125 /nfs/dbraw/zinc/13/11/25/496131125.db2.gz QIITWYVNJSFVMO-UHFFFAOYSA-N 0 3 372.400 3.118 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000161377441 496163376 /nfs/dbraw/zinc/16/33/76/496163376.db2.gz YMYLOMJUHLMJDM-LJQANCHMSA-N 0 3 367.449 3.227 20 5 FGBDHN COC(=O)CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000152536563 496181553 /nfs/dbraw/zinc/18/15/53/496181553.db2.gz NEGYAOYHAQPKRK-UHFFFAOYSA-N 0 3 374.393 3.057 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCN(C)C1 ZINC000152635104 496209650 /nfs/dbraw/zinc/20/96/50/496209650.db2.gz PDGKMYKUZRKPBI-AWEZNQCLSA-N 0 3 365.499 3.367 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186942888 496222597 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20 5 FGBDHN CN(C)C(=O)[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000172669738 496380548 /nfs/dbraw/zinc/38/05/48/496380548.db2.gz QONPFVCAVPLOTP-IBGZPJMESA-N 0 3 355.438 3.337 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000187325623 496394254 /nfs/dbraw/zinc/39/42/54/496394254.db2.gz JTTLELIUBMZOQV-GOSISDBHSA-N 0 3 355.438 3.481 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000162978438 496444807 /nfs/dbraw/zinc/44/48/07/496444807.db2.gz VZRCEBLYROZVOC-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000163019942 496451180 /nfs/dbraw/zinc/45/11/80/496451180.db2.gz ZOPDYEROOGACEV-DZKIICNBSA-N 0 3 369.421 3.385 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000163021236 496451549 /nfs/dbraw/zinc/45/15/49/496451549.db2.gz VHGNUEOZULFANX-UHFFFAOYSA-N 0 3 371.441 3.095 20 5 FGBDHN Cc1cnc(CCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000157341609 496457058 /nfs/dbraw/zinc/45/70/58/496457058.db2.gz SDPVMSIEVWEVBB-UHFFFAOYSA-N 0 3 362.455 3.171 20 5 FGBDHN COc1cc(CNC2(CO)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000178638062 496525912 /nfs/dbraw/zinc/52/59/12/496525912.db2.gz GARGWQQHQLFVJX-UHFFFAOYSA-N 0 3 372.421 3.187 20 5 FGBDHN COc1ccc2[nH]cc(C3CCN(CCn4cc([N+](=O)[O-])cn4)CC3)c2c1 ZINC000157784067 496554157 /nfs/dbraw/zinc/55/41/57/496554157.db2.gz DQRSZLBHJZPCEL-UHFFFAOYSA-N 0 3 369.425 3.161 20 5 FGBDHN COc1ccccc1COC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181836154 496566149 /nfs/dbraw/zinc/56/61/49/496566149.db2.gz ALRPVOAIMYDJKZ-MAUKXSAKSA-N 0 3 374.437 3.140 20 5 FGBDHN C[C@@H](C(=O)NCc1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000184914530 496582650 /nfs/dbraw/zinc/58/26/50/496582650.db2.gz MAZOLLUWWYCNJJ-CYBMUJFWSA-N 0 3 359.401 3.215 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000569106361 505854404 /nfs/dbraw/zinc/85/44/04/505854404.db2.gz ZFVCYXAHZJWOGG-ACJLOTCBSA-N 0 3 371.462 3.160 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000187997613 496645262 /nfs/dbraw/zinc/64/52/62/496645262.db2.gz BAXIFIGCPJDOLE-ZDUSSCGKSA-N 0 3 351.472 3.018 20 5 FGBDHN C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173335856 496648648 /nfs/dbraw/zinc/64/86/48/496648648.db2.gz PCIKGVGGHAYUGX-OAHLLOKOSA-N 0 3 362.451 3.251 20 5 FGBDHN C[C@@H](N[C@H](Cc1ccccc1)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173409079 496680026 /nfs/dbraw/zinc/68/00/26/496680026.db2.gz ZGEQJAUCRYSQLO-YLJYHZDGSA-N 0 3 369.465 3.189 20 5 FGBDHN CN(C)[C@H](CNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179149806 496693134 /nfs/dbraw/zinc/69/31/34/496693134.db2.gz ZEBHMXBATUKTNE-GOSISDBHSA-N 0 3 373.478 3.247 20 5 FGBDHN CCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182177972 496698526 /nfs/dbraw/zinc/69/85/26/496698526.db2.gz BJSCRCIWDGYZRM-GOSISDBHSA-N 0 3 362.451 3.500 20 5 FGBDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182198273 496704229 /nfs/dbraw/zinc/70/42/29/496704229.db2.gz BHRUOWISLWDTQU-FUHWJXTLSA-N 0 3 372.421 3.180 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000182214848 496709864 /nfs/dbraw/zinc/70/98/64/496709864.db2.gz ANKGKGCZVBHCTL-MSOLQXFVSA-N 0 3 374.412 3.181 20 5 FGBDHN C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273189156 496734540 /nfs/dbraw/zinc/73/45/40/496734540.db2.gz GHAVDHKRTZOZMF-NSHDSACASA-N 0 3 369.874 3.107 20 5 FGBDHN COc1cccc([C@@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000198747355 496970017 /nfs/dbraw/zinc/97/00/17/496970017.db2.gz GADBLYRPSCXKQF-PXNSSMCTSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248427230 497007666 /nfs/dbraw/zinc/00/76/66/497007666.db2.gz AADGBAVSVWBNJR-MGPUTAFESA-N 0 3 355.438 3.012 20 5 FGBDHN COc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000270353002 497108168 /nfs/dbraw/zinc/10/81/68/497108168.db2.gz CYKHEUYAHBPATG-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000248830445 497112761 /nfs/dbraw/zinc/11/27/61/497112761.db2.gz HHXZUTRGBUVWLC-QAPCUYQASA-N 0 3 353.426 3.021 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000189439924 497118852 /nfs/dbraw/zinc/11/88/52/497118852.db2.gz FSYXZRLBGMAUHT-ZDUSSCGKSA-N 0 3 374.407 3.299 20 5 FGBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000274577996 497127190 /nfs/dbraw/zinc/12/71/90/497127190.db2.gz HBYYMBDGYFRXKP-HZMBPMFUSA-N 0 3 372.347 3.172 20 5 FGBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000189522027 497149071 /nfs/dbraw/zinc/14/90/71/497149071.db2.gz QHXCXFQPBBNHHK-GOEBONIOSA-N 0 3 367.471 3.196 20 5 FGBDHN COc1cccc(C(=O)NCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192765098 497207373 /nfs/dbraw/zinc/20/73/73/497207373.db2.gz UCMVIWQKHDAYJI-IBGZPJMESA-N 0 3 369.421 3.000 20 5 FGBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000278771892 497214833 /nfs/dbraw/zinc/21/48/33/497214833.db2.gz YGYMQWUSJHDNNL-GTNSWQLSSA-N 0 3 366.801 3.138 20 5 FGBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccccc1 ZINC000266138961 497265705 /nfs/dbraw/zinc/26/57/05/497265705.db2.gz QAIFWYHZRHJIAM-SFHVURJKSA-N 0 3 370.409 3.266 20 5 FGBDHN Cc1ccc(Sc2ccc(CN[C@H](C)CC(N)=O)cc2[N+](=O)[O-])cc1 ZINC000572141695 505900064 /nfs/dbraw/zinc/90/00/64/505900064.db2.gz VBPWWYHBVICLGJ-CYBMUJFWSA-N 0 3 359.451 3.408 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000271429348 497347155 /nfs/dbraw/zinc/34/71/55/497347155.db2.gz AWKRGHWMVYRACF-POZUXBRTSA-N 0 3 374.437 3.129 20 5 FGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000271644093 497406977 /nfs/dbraw/zinc/40/69/77/497406977.db2.gz HTTHJISNLLEQPG-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000271645266 497407645 /nfs/dbraw/zinc/40/76/45/497407645.db2.gz HYTSNAYLXAPBQX-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000245523846 497439615 /nfs/dbraw/zinc/43/96/15/497439615.db2.gz NGQQSLLSQUICMG-LSDHHAIUSA-N 0 3 355.442 3.382 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245644268 497486219 /nfs/dbraw/zinc/48/62/19/497486219.db2.gz LDFZMTGBLPITTH-IEBWSBKVSA-N 0 3 368.437 3.182 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245855727 497551180 /nfs/dbraw/zinc/55/11/80/497551180.db2.gz NNAFTDDWGYILNM-HZPDHXFCSA-N 0 3 370.453 3.476 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267455244 497557223 /nfs/dbraw/zinc/55/72/23/497557223.db2.gz QDJJNBWWNZJMFA-OXJNMPFZSA-N 0 3 367.449 3.164 20 5 FGBDHN CSc1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272186354 497559292 /nfs/dbraw/zinc/55/92/92/497559292.db2.gz MPFDQEBOFIARNI-LBPRGKRZSA-N 0 3 351.472 3.119 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000267577748 497581292 /nfs/dbraw/zinc/58/12/92/497581292.db2.gz BJFUOPVDUBNLNW-RDJZCZTQSA-N 0 3 360.458 3.234 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246074434 497612573 /nfs/dbraw/zinc/61/25/73/497612573.db2.gz DXLROKURRCTLAO-IINYFYTJSA-N 0 3 359.348 3.026 20 5 FGBDHN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000272549609 497659225 /nfs/dbraw/zinc/65/92/25/497659225.db2.gz QZURHCPWRSEUEE-VQIMIIECSA-N 0 3 371.485 3.128 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246261714 497676387 /nfs/dbraw/zinc/67/63/87/497676387.db2.gz LGDOVCLDWZBQOV-USXIJHARSA-N 0 3 362.451 3.278 20 5 FGBDHN COc1cc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc([N+](=O)[O-])c1C ZINC000191143148 497723332 /nfs/dbraw/zinc/72/33/32/497723332.db2.gz JBNHPIFVZYTFOZ-MRXNPFEDSA-N 0 3 361.442 3.002 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000581169668 505925562 /nfs/dbraw/zinc/92/55/62/505925562.db2.gz GOINNPJWQGMJQI-MRXNPFEDSA-N 0 3 354.410 3.116 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000334001519 497843579 /nfs/dbraw/zinc/84/35/79/497843579.db2.gz WGUOFHBMUGTZGC-UPJWGTAASA-N 0 3 353.850 3.344 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295943271 497862951 /nfs/dbraw/zinc/86/29/51/497862951.db2.gz LDULCPVCRVGBOW-UHFFFAOYSA-N 0 3 369.421 3.301 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000575212196 505943480 /nfs/dbraw/zinc/94/34/80/505943480.db2.gz KXRXSQQAFGJEAI-UHFFFAOYSA-N 0 3 373.453 3.240 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCCC[C@@H](N3CCCC3)C2)c(Br)c1 ZINC000301576648 498170929 /nfs/dbraw/zinc/17/09/29/498170929.db2.gz YXGYDOJXQPDCIO-GFCCVEGCSA-N 0 3 369.263 3.207 20 5 FGBDHN CN(CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccco1 ZINC000285767372 498195671 /nfs/dbraw/zinc/19/56/71/498195671.db2.gz SQPVQFKRBVXYPL-UHFFFAOYSA-N 0 3 358.398 3.283 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296829913 498214555 /nfs/dbraw/zinc/21/45/55/498214555.db2.gz SQXIEALVULIOPA-OLZOCXBDSA-N 0 3 350.394 3.133 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)o1 ZINC000360063125 498242833 /nfs/dbraw/zinc/24/28/33/498242833.db2.gz XVVHPOBBYYHTCO-IFXJQAMLSA-N 0 3 358.394 3.283 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)o1 ZINC000360063126 498242975 /nfs/dbraw/zinc/24/29/75/498242975.db2.gz XVVHPOBBYYHTCO-KUHUBIRLSA-N 0 3 358.394 3.283 20 5 FGBDHN Cc1cc(N(C)[C@H]2CCN(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833377 498285071 /nfs/dbraw/zinc/28/50/71/498285071.db2.gz SCEDEBRVUKMZCI-DYVFJYSZSA-N 0 3 355.442 3.137 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000286335470 498367469 /nfs/dbraw/zinc/36/74/69/498367469.db2.gz ATQLFQKNTDBHQU-UHFFFAOYSA-N 0 3 370.453 3.041 20 5 FGBDHN Cc1c(NC(=O)CCN2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289969553 498375463 /nfs/dbraw/zinc/37/54/63/498375463.db2.gz XEWHQOKPUXOSRP-SJLPKXTDSA-N 0 3 361.442 3.121 20 5 FGBDHN O=[N+]([O-])c1cc(F)c(NCc2ccccc2CN2CC[C@@H](O)C2)c(F)c1 ZINC000302038402 498379998 /nfs/dbraw/zinc/37/99/98/498379998.db2.gz GRSYPYMKSDAUOU-OAHLLOKOSA-N 0 3 363.364 3.052 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccncc1OCCN(C)C ZINC000572678001 506027189 /nfs/dbraw/zinc/02/71/89/506027189.db2.gz DYUHEEKHGWMIDU-OAHLLOKOSA-N 0 3 358.442 3.089 20 5 FGBDHN Cc1cc(NCCNC(=O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302140039 498415742 /nfs/dbraw/zinc/41/57/42/498415742.db2.gz FBWWQFPYBPLEST-UHFFFAOYSA-N 0 3 368.368 3.432 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@H]1CCCN(C)C1 ZINC000302154336 498419951 /nfs/dbraw/zinc/41/99/51/498419951.db2.gz DGLSCQLZKDJXBV-INIZCTEOSA-N 0 3 356.426 3.099 20 5 FGBDHN O=C(CN[C@@H](c1ccccc1)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000362259006 498483456 /nfs/dbraw/zinc/48/34/56/498483456.db2.gz SGBUCHKLXPJDPP-FQEVSTJZSA-N 0 3 369.421 3.291 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297688581 498536633 /nfs/dbraw/zinc/53/66/33/498536633.db2.gz GYQLCAVDVMNXOT-NSHDSACASA-N 0 3 373.375 3.416 20 5 FGBDHN Cc1c(CN2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108137 498563776 /nfs/dbraw/zinc/56/37/76/498563776.db2.gz HOACVHRIDWSUHU-HZPDHXFCSA-N 0 3 361.486 3.224 20 5 FGBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN1C1CCCC1 ZINC000572807793 506056032 /nfs/dbraw/zinc/05/60/32/506056032.db2.gz JDWMQJHDAILARF-IBGZPJMESA-N 0 3 370.453 3.142 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365744821 498621633 /nfs/dbraw/zinc/62/16/33/498621633.db2.gz AILPXDUDJFXYAZ-DOTOQJQBSA-N 0 3 371.462 3.250 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365747171 498622944 /nfs/dbraw/zinc/62/29/44/498622944.db2.gz OWZMWYFMYFYLLJ-RTBURBONSA-N 0 3 365.433 3.189 20 5 FGBDHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303164450 498653117 /nfs/dbraw/zinc/65/31/17/498653117.db2.gz FSKLVYKAPDRJEJ-CYBMUJFWSA-N 0 3 370.409 3.322 20 5 FGBDHN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000303164450 498653126 /nfs/dbraw/zinc/65/31/26/498653126.db2.gz FSKLVYKAPDRJEJ-CYBMUJFWSA-N 0 3 370.409 3.322 20 5 FGBDHN O=C(CCC(=O)N1CCCC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294617534 498749659 /nfs/dbraw/zinc/74/96/59/498749659.db2.gz NJPWPKCGOSLGGS-GOSISDBHSA-N 0 3 373.453 3.035 20 5 FGBDHN CCc1nn(C)c(NC[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000311895855 498756452 /nfs/dbraw/zinc/75/64/52/498756452.db2.gz DZVKQPUGGPHHLF-MRXNPFEDSA-N 0 3 357.458 3.215 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccc3c2OCCCO3)n1 ZINC000581923949 506090231 /nfs/dbraw/zinc/09/02/31/506090231.db2.gz CLEKECIKEJYXAR-CVEARBPZSA-N 0 3 372.425 3.226 20 5 FGBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291372757 498914624 /nfs/dbraw/zinc/91/46/24/498914624.db2.gz APUSQSZMJFTEKK-VIFPVBQESA-N 0 3 358.225 3.116 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000288246906 498976335 /nfs/dbraw/zinc/97/63/35/498976335.db2.gz FYQHXFGIZJVYGV-DGCLKSJQSA-N 0 3 371.359 3.312 20 5 FGBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299324471 499024911 /nfs/dbraw/zinc/02/49/11/499024911.db2.gz DFLJIVAOPZXDFC-UHFFFAOYSA-N 0 3 357.385 3.128 20 5 FGBDHN CCN1CCC[C@@H](CN(C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137273 /nfs/dbraw/zinc/13/72/73/499137273.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 0 3 371.485 3.233 20 5 FGBDHN O=c1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c2c(ccc3ccccc32)o1 ZINC000367053983 499140203 /nfs/dbraw/zinc/14/02/03/499140203.db2.gz HWADORLHSPFVMA-VGSWGCGISA-N 0 3 362.429 3.093 20 5 FGBDHN O=C(NC1CC1)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000367417914 499196724 /nfs/dbraw/zinc/19/67/24/499196724.db2.gz BYXVYNVMRIYXTL-UHFFFAOYSA-N 0 3 369.421 3.345 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(c2nc(C)cs2)CC1 ZINC000370632661 499237595 /nfs/dbraw/zinc/23/75/95/499237595.db2.gz CUGGLTAZLDATCO-UHFFFAOYSA-N 0 3 362.455 3.127 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368593584 499311675 /nfs/dbraw/zinc/31/16/75/499311675.db2.gz UAERHHSYJGAGAK-MJGOQNOKSA-N 0 3 360.502 3.065 20 5 FGBDHN Cc1cccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567528 499419252 /nfs/dbraw/zinc/41/92/52/499419252.db2.gz HWSHXVVBCGUUSG-DYVFJYSZSA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1sc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369569019 499419717 /nfs/dbraw/zinc/41/97/17/499419717.db2.gz MULBOJVTINKFJB-XHDPSFHLSA-N 0 3 365.480 3.449 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369668617 499434363 /nfs/dbraw/zinc/43/43/63/499434363.db2.gz YFBLRGSNSPRJPH-KXBFYZLASA-N 0 3 373.478 3.398 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC(c3noc(C(F)F)n3)CC2)cc1 ZINC000373275961 499460990 /nfs/dbraw/zinc/46/09/90/499460990.db2.gz ABEBAOBSRGFDLB-UHFFFAOYSA-N 0 3 352.341 3.338 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2cccnc2)CC1 ZINC000378347181 499504541 /nfs/dbraw/zinc/50/45/41/499504541.db2.gz IBLMFRXORYPSLE-UHFFFAOYSA-N 0 3 366.421 3.416 20 5 FGBDHN C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1Cc1ccccc1 ZINC000379678040 499542502 /nfs/dbraw/zinc/54/25/02/499542502.db2.gz DYDWPIBCDNHOJM-GDBMZVCRSA-N 0 3 365.437 3.358 20 5 FGBDHN COc1cc(CNCC2(c3ccccn3)CCC2)c([N+](=O)[O-])cc1OC ZINC000375752928 499551669 /nfs/dbraw/zinc/55/16/69/499551669.db2.gz HGHIFTVQWWAKRG-UHFFFAOYSA-N 0 3 357.410 3.219 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397992358 499565839 /nfs/dbraw/zinc/56/58/39/499565839.db2.gz QVKWGNRPDRJFDZ-WMLDXEAASA-N 0 3 368.437 3.016 20 5 FGBDHN CCC[C@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000414325466 499778101 /nfs/dbraw/zinc/77/81/01/499778101.db2.gz KEQSKINPGLILJL-INIZCTEOSA-N 0 3 354.472 3.241 20 5 FGBDHN Cc1c(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000582216020 506160314 /nfs/dbraw/zinc/16/03/14/506160314.db2.gz XKCNIKDQCDHAFD-QGZVFWFLSA-N 0 3 360.458 3.063 20 5 FGBDHN COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000414549724 499807022 /nfs/dbraw/zinc/80/70/22/499807022.db2.gz BTWRYCQOMBPLBU-BBRMVZONSA-N 0 3 358.394 3.211 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N(C)C ZINC000412387561 499850803 /nfs/dbraw/zinc/85/08/03/499850803.db2.gz BCYAFVKRJVLPIP-ZDUSSCGKSA-N 0 3 359.451 3.426 20 5 FGBDHN CC(C)c1[n-]nc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000576454421 506162431 /nfs/dbraw/zinc/16/24/31/506162431.db2.gz NTCLMNKCCFIGNP-UHFFFAOYSA-N 0 3 371.441 3.184 20 5 FGBDHN C[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000415973332 499936053 /nfs/dbraw/zinc/93/60/53/499936053.db2.gz MPTIJSXEWDNOCL-NSHDSACASA-N 0 3 358.373 3.262 20 5 FGBDHN CC1(C)C[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000573317883 506170306 /nfs/dbraw/zinc/17/03/06/506170306.db2.gz ZVZOMHSKVWVLQT-YOEHRIQHSA-N 0 3 356.422 3.347 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000427469184 500396633 /nfs/dbraw/zinc/39/66/33/500396633.db2.gz AHCSVBNEHJTXBK-AWEZNQCLSA-N 0 3 371.437 3.463 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431778743 500424092 /nfs/dbraw/zinc/42/40/92/500424092.db2.gz MVYXQVJHTADZHQ-HUUCEWRRSA-N 0 3 362.474 3.250 20 5 FGBDHN Cc1ccc(CC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1C ZINC000428707672 500547215 /nfs/dbraw/zinc/54/72/15/500547215.db2.gz IALXTCHAGHAMKC-UHFFFAOYSA-N 0 3 369.465 3.328 20 5 FGBDHN COc1cc(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528239 506207879 /nfs/dbraw/zinc/20/78/79/506207879.db2.gz YFVZZBPVFWVCSY-QFBILLFUSA-N 0 3 359.401 3.278 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000433374898 500683379 /nfs/dbraw/zinc/68/33/79/500683379.db2.gz NQJGFHIDMDENEA-LPHOPBHVSA-N 0 3 368.437 3.063 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963229 500697138 /nfs/dbraw/zinc/69/71/38/500697138.db2.gz MUXJROBDEFCOSV-RHSMWYFYSA-N 0 3 362.474 3.384 20 5 FGBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000444083748 500801052 /nfs/dbraw/zinc/80/10/52/500801052.db2.gz LMZWNFKAHLITAZ-INIZCTEOSA-N 0 3 357.458 3.213 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2csc(N3CCN(C4CCOCC4)CC3)n2)cc1 ZINC000448968009 500883136 /nfs/dbraw/zinc/88/31/36/500883136.db2.gz QJHJPEMTQPVIDB-UHFFFAOYSA-N 0 3 374.466 3.019 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Br ZINC000602579308 506223143 /nfs/dbraw/zinc/22/31/43/506223143.db2.gz JFWZTNWMSBZDOK-JLLWLGSASA-N 0 3 373.272 3.466 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000439641550 500921464 /nfs/dbraw/zinc/92/14/64/500921464.db2.gz OQXPKQHXCLCSKH-CLROSIBMSA-N 0 3 361.442 3.023 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000439881035 500949663 /nfs/dbraw/zinc/94/96/63/500949663.db2.gz BGCWUIXIJUKTDG-UONOGXRCSA-N 0 3 364.446 3.378 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000439906541 500954037 /nfs/dbraw/zinc/95/40/37/500954037.db2.gz WJKHLLVYSQBQJX-UHFFFAOYSA-N 0 3 372.425 3.377 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449648953 501049935 /nfs/dbraw/zinc/04/99/35/501049935.db2.gz VCISGWDQKFNYJC-OAGGEKHMSA-N 0 3 367.449 3.482 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445915707 501051109 /nfs/dbraw/zinc/05/11/09/501051109.db2.gz JYIKBTFSRGKEKX-QFBILLFUSA-N 0 3 367.449 3.479 20 5 FGBDHN COc1cc(CN[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000441238312 501106802 /nfs/dbraw/zinc/10/68/02/501106802.db2.gz YIUUKAOSOHDTQU-JSGCOSHPSA-N 0 3 374.384 3.295 20 5 FGBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC000436376459 501116262 /nfs/dbraw/zinc/11/62/62/501116262.db2.gz HSQJGZCRFLGBIP-MJGOQNOKSA-N 0 3 350.459 3.374 20 5 FGBDHN COc1cc(CNC[C@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1OC ZINC000436376789 501116350 /nfs/dbraw/zinc/11/63/50/501116350.db2.gz CVAANXNNDKLYRC-CQSZACIVSA-N 0 3 371.437 3.010 20 5 FGBDHN CCO[C@@H]1C[C@@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000441438259 501139102 /nfs/dbraw/zinc/13/91/02/501139102.db2.gz JAFIMRCUWCGBFL-IAGOWNOFSA-N 0 3 352.431 3.118 20 5 FGBDHN Cc1cc(NC[C@H]2CCCN2CCCO)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450593052 501162204 /nfs/dbraw/zinc/16/22/04/501162204.db2.gz IFUKZQOAUGGCJV-GFCCVEGCSA-N 0 3 361.364 3.181 20 5 FGBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000450784604 501208300 /nfs/dbraw/zinc/20/83/00/501208300.db2.gz JPKFVHIDCLGBJI-UHFFFAOYSA-N 0 3 369.425 3.025 20 5 FGBDHN COc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])cc1F ZINC000450855253 501218795 /nfs/dbraw/zinc/21/87/95/501218795.db2.gz HALZIFQRWHGJLR-CSMYWGQOSA-N 0 3 350.390 3.180 20 5 FGBDHN C[C@H](NCCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451105843 501246189 /nfs/dbraw/zinc/24/61/89/501246189.db2.gz NTOFORAMLHWDIV-AWEZNQCLSA-N 0 3 367.405 3.322 20 5 FGBDHN COc1c(C)cnc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000451372001 501277540 /nfs/dbraw/zinc/27/75/40/501277540.db2.gz FMEDSTBLBVDZPX-UHFFFAOYSA-N 0 3 372.425 3.076 20 5 FGBDHN C[C@@]12CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372928 501277637 /nfs/dbraw/zinc/27/76/37/501277637.db2.gz RKLSRSWJGMGJLJ-DZASIIFFSA-N 0 3 352.394 3.289 20 5 FGBDHN Cc1c([C@@H](C)NCCc2cnc3c(Cl)cnn3c2)cccc1[N+](=O)[O-] ZINC000453218593 501293380 /nfs/dbraw/zinc/29/33/80/501293380.db2.gz KKOHIZFGWILTFQ-GFCCVEGCSA-N 0 3 359.817 3.493 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451624804 501338643 /nfs/dbraw/zinc/33/86/43/501338643.db2.gz GHXFPRJWIXSEPG-AEFFLSMTSA-N 0 3 373.453 3.123 20 5 FGBDHN Cc1ccccc1CN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596082738 506247087 /nfs/dbraw/zinc/24/70/87/506247087.db2.gz LUMKAEDYCOXWAY-UHFFFAOYSA-N 0 3 368.437 3.079 20 5 FGBDHN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCCC1 ZINC000453616360 501362846 /nfs/dbraw/zinc/36/28/46/501362846.db2.gz NVRJCPDVFSBFRO-SFHVURJKSA-N 0 3 364.442 3.128 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000456317621 501496284 /nfs/dbraw/zinc/49/62/84/501496284.db2.gz ZCXIDNBTSCRBHA-MRXNPFEDSA-N 0 3 353.422 3.189 20 5 FGBDHN C[C@H](NC(=O)NCCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454376531 501527352 /nfs/dbraw/zinc/52/73/52/501527352.db2.gz SKDJCAKRLNZHLM-HNNXBMFYSA-N 0 3 356.426 3.087 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC1(C)C ZINC000457081315 501647118 /nfs/dbraw/zinc/64/71/18/501647118.db2.gz VKCUQNCMPTVDPU-ZDUSSCGKSA-N 0 3 351.472 3.066 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000457093384 501649659 /nfs/dbraw/zinc/64/96/59/501649659.db2.gz OCLHZZNZWDMSHF-GFCCVEGCSA-N 0 3 359.348 3.168 20 5 FGBDHN CN(C)CC(C)(C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000457219782 501666962 /nfs/dbraw/zinc/66/69/62/501666962.db2.gz KOPJVMPEVZBKIP-UHFFFAOYSA-N 0 3 370.453 3.277 20 5 FGBDHN COCC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266692 501752307 /nfs/dbraw/zinc/75/23/07/501752307.db2.gz UGQWHIOBCXHQBM-HOTGVXAUSA-N 0 3 363.458 3.369 20 5 FGBDHN COC[C@@H]1CCCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467311265 501767624 /nfs/dbraw/zinc/76/76/24/501767624.db2.gz OOTUMMFROWPHGQ-GFCCVEGCSA-N 0 3 374.384 3.453 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481528405 501803343 /nfs/dbraw/zinc/80/33/43/501803343.db2.gz NBTSZORQAIURDH-HNNXBMFYSA-N 0 3 359.401 3.165 20 5 FGBDHN C[C@@H](NC[C@H](CO)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000477924291 501830207 /nfs/dbraw/zinc/83/02/07/501830207.db2.gz YVXKRXWJUGNHDH-TZMCWYRMSA-N 0 3 350.365 3.375 20 5 FGBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596151237 506281335 /nfs/dbraw/zinc/28/13/35/506281335.db2.gz BWZPZINWAYJDLU-RHSMWYFYSA-N 0 3 368.437 3.159 20 5 FGBDHN COC(=O)c1cc(NC[C@@H](c2ccsc2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000474775537 501948768 /nfs/dbraw/zinc/94/87/68/501948768.db2.gz PUFBSIFAABOPRG-HNNXBMFYSA-N 0 3 363.439 3.466 20 5 FGBDHN COc1ccc(CCC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000478437047 501982153 /nfs/dbraw/zinc/98/21/53/501982153.db2.gz YZKCRJHWEDLUDE-UHFFFAOYSA-N 0 3 358.442 3.145 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000482141696 501987670 /nfs/dbraw/zinc/98/76/70/501987670.db2.gz KSJNRDGIHSNYJL-IRXDYDNUSA-N 0 3 363.458 3.131 20 5 FGBDHN Cc1c(CN[C@@H](C)CC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000478505586 502003385 /nfs/dbraw/zinc/00/33/85/502003385.db2.gz YIIGYKLXWQIQIY-HNNXBMFYSA-N 0 3 355.438 3.130 20 5 FGBDHN Cc1c(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599040576 506290254 /nfs/dbraw/zinc/29/02/54/506290254.db2.gz KGAJFGKIMJTJQF-KRWDZBQOSA-N 0 3 360.458 3.109 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169729 506291788 /nfs/dbraw/zinc/29/17/88/506291788.db2.gz UMCXYHNWQKAVDK-DLBZAZTESA-N 0 3 368.437 3.186 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169729 506291791 /nfs/dbraw/zinc/29/17/91/506291791.db2.gz UMCXYHNWQKAVDK-DLBZAZTESA-N 0 3 368.437 3.186 20 5 FGBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000475229536 502105948 /nfs/dbraw/zinc/10/59/48/502105948.db2.gz FQTJZNAWWVIFKB-JTQLQIEISA-N 0 3 372.347 3.386 20 5 FGBDHN CO[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000461432534 502111851 /nfs/dbraw/zinc/11/18/51/502111851.db2.gz WYZNNEPJBUGYQC-KRWDZBQOSA-N 0 3 366.801 3.403 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000468650584 502136086 /nfs/dbraw/zinc/13/60/86/502136086.db2.gz ZQTTZNCGOAFJKF-XBNGYDHASA-N 0 3 351.406 3.393 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)N(C)C)c1 ZINC000468646287 502136134 /nfs/dbraw/zinc/13/61/34/502136134.db2.gz WUPFVXHJQOVMDM-GDNBJRDFSA-N 0 3 353.422 3.490 20 5 FGBDHN COC(=O)COc1ccc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475711113 502260584 /nfs/dbraw/zinc/26/05/84/502260584.db2.gz AVNYIXOBKVZVBT-VNQPRFMTSA-N 0 3 362.426 3.300 20 5 FGBDHN CC[C@H]1CCCCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475721147 502263396 /nfs/dbraw/zinc/26/33/96/502263396.db2.gz ZYHYSQNYSNLCRL-HNNXBMFYSA-N 0 3 350.415 3.301 20 5 FGBDHN CC[C@@H]1CCCCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475721149 502263565 /nfs/dbraw/zinc/26/35/65/502263565.db2.gz ZYHYSQNYSNLCRL-OAHLLOKOSA-N 0 3 350.415 3.301 20 5 FGBDHN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000475862327 502312800 /nfs/dbraw/zinc/31/28/00/502312800.db2.gz BLTLSIZUWMWVCM-GOSISDBHSA-N 0 3 371.485 3.205 20 5 FGBDHN Cc1ncc(CNC(=O)CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000602805956 506305823 /nfs/dbraw/zinc/30/58/23/506305823.db2.gz QDXNPNJJRHDHRO-GFCCVEGCSA-N 0 3 362.455 3.025 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(OCCO)CCC(F)(F)CC1 ZINC000599067350 506306738 /nfs/dbraw/zinc/30/67/38/506306738.db2.gz UQOXGXOGHJEGPE-OAHLLOKOSA-N 0 3 370.396 3.129 20 5 FGBDHN CS[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000599068104 506308463 /nfs/dbraw/zinc/30/84/63/506308463.db2.gz KSXULBYJHVRYNC-DLBZAZTESA-N 0 3 358.467 3.159 20 5 FGBDHN CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000469331395 502378267 /nfs/dbraw/zinc/37/82/67/502378267.db2.gz QHTYYYCGTSQERA-INIZCTEOSA-N 0 3 353.850 3.375 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000466017668 502455083 /nfs/dbraw/zinc/45/50/83/502455083.db2.gz OOPKVTUYFBLMPU-UHFFFAOYSA-N 0 3 368.437 3.124 20 5 FGBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000466243612 502514514 /nfs/dbraw/zinc/51/45/14/502514514.db2.gz VIXGTCCJOHWKEJ-QWHCGFSZSA-N 0 3 368.865 3.168 20 5 FGBDHN COC[C@H](CCO)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484165824 502590709 /nfs/dbraw/zinc/59/07/09/502590709.db2.gz VEYLPYVKFYXCQU-OLZOCXBDSA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@@H](NC[C@@H](C)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480613496 502621236 /nfs/dbraw/zinc/62/12/36/502621236.db2.gz JPKRNXUZZLPFIX-QZTJIDSGSA-N 0 3 368.481 3.456 20 5 FGBDHN CN1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000470145787 502677954 /nfs/dbraw/zinc/67/79/54/502677954.db2.gz ZBKLGHSOWWQOJD-IAGOWNOFSA-N 0 3 358.373 3.301 20 5 FGBDHN CN1CCC(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000488350872 502690855 /nfs/dbraw/zinc/69/08/55/502690855.db2.gz GXBVWJWTFSGUPT-UHFFFAOYSA-N 0 3 356.220 3.028 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468516 502723680 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20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCc3ccccc3C2)CC1 ZINC000593036624 506352478 /nfs/dbraw/zinc/35/24/78/506352478.db2.gz IXJOGYTXPJEDGC-UHFFFAOYSA-N 0 3 367.449 3.028 20 5 FGBDHN COc1c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)cccc1[N+](=O)[O-] ZINC000510522621 503132326 /nfs/dbraw/zinc/13/23/26/503132326.db2.gz IERGKUGCSXSKFA-KDOFPFPSSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510527074 503134131 /nfs/dbraw/zinc/13/41/31/503134131.db2.gz ROGHZPPEXQRCAO-AUUYWEPGSA-N 0 3 371.437 3.333 20 5 FGBDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000502576577 503230427 /nfs/dbraw/zinc/23/04/27/503230427.db2.gz WOSUHXDOSHTFAR-LERXQTSPSA-N 0 3 357.357 3.062 20 5 FGBDHN COc1cc2c(cc1F)CC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515054650 503260504 /nfs/dbraw/zinc/26/05/04/503260504.db2.gz FIUGDUAGTIHTPK-HNNXBMFYSA-N 0 3 373.384 3.348 20 5 FGBDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502867922 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351.472 3.494 20 5 FGBDHN O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cs1 ZINC000593068462 506371354 /nfs/dbraw/zinc/37/13/54/506371354.db2.gz OMYFOWOYHQJHDR-QZTJIDSGSA-N 0 3 373.478 3.132 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000517027289 503647518 /nfs/dbraw/zinc/64/75/18/503647518.db2.gz HIPDBXMIIJCHCM-ZBFHGGJFSA-N 0 3 358.398 3.036 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1)C[C@@H](C)O ZINC000532973555 503683005 /nfs/dbraw/zinc/68/30/05/503683005.db2.gz IJPUTWWLVNRNFI-MRXNPFEDSA-N 0 3 371.437 3.115 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CN(C)Cc2ccccc21 ZINC000540153778 503691114 /nfs/dbraw/zinc/69/11/14/503691114.db2.gz QEHRZJANVXFNBB-KUHUBIRLSA-N 0 3 368.437 3.088 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](CO)Cc2ccco2)o1 ZINC000533187367 503753953 /nfs/dbraw/zinc/75/39/53/503753953.db2.gz URRHNQPGLNOYAS-AWEZNQCLSA-N 0 3 356.378 3.389 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] 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CC(C)(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000535022120 504316802 /nfs/dbraw/zinc/31/68/02/504316802.db2.gz MBTGDMAUINVISX-UHFFFAOYSA-N 0 3 356.426 3.089 20 5 FGBDHN CN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535466931 504443196 /nfs/dbraw/zinc/44/31/96/504443196.db2.gz ADJLBLAWRAWPAD-OALUTQOASA-N 0 3 367.449 3.434 20 5 FGBDHN CS[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000548448394 504449782 /nfs/dbraw/zinc/44/97/82/504449782.db2.gz FCRPFTAINKYMCJ-DLBZAZTESA-N 0 3 358.467 3.159 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000548936782 504628126 /nfs/dbraw/zinc/62/81/26/504628126.db2.gz MSQIHGXHPRYUQI-UONOGXRCSA-N 0 3 359.430 3.293 20 5 FGBDHN Cn1cccc1[C@@H]1CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532625492 504715117 /nfs/dbraw/zinc/71/51/17/504715117.db2.gz YUFKHDMSYGBEJY-INIZCTEOSA-N 0 3 370.409 3.068 20 5 FGBDHN COc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000536430490 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FGBDHN CN(C)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549615923 504860249 /nfs/dbraw/zinc/86/02/49/504860249.db2.gz HKMHGMBAFSBCFK-CYBMUJFWSA-N 0 3 353.831 3.342 20 5 FGBDHN CCCCN(C)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000565367594 504866886 /nfs/dbraw/zinc/86/68/86/504866886.db2.gz GXJTUTLSIPEFJR-AWEZNQCLSA-N 0 3 373.457 3.092 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCc3sc(Cl)cc32)c1 ZINC000565478971 504899891 /nfs/dbraw/zinc/89/98/91/504899891.db2.gz ZSMKOBQRADQZTA-FZMZJTMJSA-N 0 3 368.842 3.327 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000559964265 504959891 /nfs/dbraw/zinc/95/98/91/504959891.db2.gz CRJYFHSHQIURHG-QGZVFWFLSA-N 0 3 358.398 3.028 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000565737233 504973483 /nfs/dbraw/zinc/97/34/83/504973483.db2.gz KNXWTPRAJGZUCK-KXBFYZLASA-N 0 3 353.422 3.296 20 5 FGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000550141079 504975925 /nfs/dbraw/zinc/97/59/25/504975925.db2.gz OWBNKNWHFYHIAL-HZPDHXFCSA-N 0 3 374.359 3.023 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000556860230 504998089 /nfs/dbraw/zinc/99/80/89/504998089.db2.gz YHKCDFFOPLNUMS-FZKQIMNGSA-N 0 3 362.813 3.265 20 5 FGBDHN CC(C)N(CCN1CCCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000554098115 505088409 /nfs/dbraw/zinc/08/84/09/505088409.db2.gz OGIWMIXSNLRZGN-UHFFFAOYSA-N 0 3 363.458 3.087 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000563419750 505137511 /nfs/dbraw/zinc/13/75/11/505137511.db2.gz YUGIFAOOIDIRCR-XLIONFOSSA-N 0 3 367.449 3.073 20 5 FGBDHN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000554404513 505166362 /nfs/dbraw/zinc/16/63/62/505166362.db2.gz FJWCLRVSRDBHJS-KSSFIOAISA-N 0 3 356.426 3.085 20 5 FGBDHN Cc1ccnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000557736095 505217265 /nfs/dbraw/zinc/21/72/65/505217265.db2.gz HZHZXFSNDODJPB-HXUWFJFHSA-N 0 3 352.438 3.401 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000557745230 505219842 /nfs/dbraw/zinc/21/98/42/505219842.db2.gz NJZJYJSWVYNSQR-ZFWWWQNUSA-N 0 3 351.472 3.066 20 5 FGBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000551418434 505221455 /nfs/dbraw/zinc/22/14/55/505221455.db2.gz DIJAFUPFSWOPHS-KBXCAEBGSA-N 0 3 372.421 3.113 20 5 FGBDHN C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000557832386 505240876 /nfs/dbraw/zinc/24/08/76/505240876.db2.gz QSLSYEDXRCLPSH-HNNXBMFYSA-N 0 3 359.470 3.205 20 5 FGBDHN COC[C@@]1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000555003035 505325381 /nfs/dbraw/zinc/32/53/81/505325381.db2.gz QYNIKJCVKSVXAV-MGPUTAFESA-N 0 3 356.422 3.360 20 5 FGBDHN COc1cc(NCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc(OC)c1 ZINC000566983313 505330557 /nfs/dbraw/zinc/33/05/57/505330557.db2.gz CGJDDACKDKBRCR-SFHVURJKSA-N 0 3 357.410 3.301 20 5 FGBDHN COc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000555340226 505412756 /nfs/dbraw/zinc/41/27/56/505412756.db2.gz UGIAYFQCEUINJI-UHFFFAOYSA-N 0 3 358.394 3.049 20 5 FGBDHN CSc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000561727212 505418981 /nfs/dbraw/zinc/41/89/81/505418981.db2.gz SAOUOMPOXMYJQC-KRWDZBQOSA-N 0 3 359.451 3.349 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000583083103 506581570 /nfs/dbraw/zinc/58/15/70/506581570.db2.gz GRLKLDJIRNVXIM-IFXJQAMLSA-N 0 3 368.437 3.232 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864862 506641641 /nfs/dbraw/zinc/64/16/41/506641641.db2.gz KAODQJJWGSIPGM-IAGOWNOFSA-N 0 3 353.422 3.042 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599830367 506664021 /nfs/dbraw/zinc/66/40/21/506664021.db2.gz RLRBKORRLWODFS-QWHCGFSZSA-N 0 3 357.414 3.089 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000589938988 506683100 /nfs/dbraw/zinc/68/31/00/506683100.db2.gz KYBFIVAFYKYBHX-NOZJJQNGSA-N 0 3 370.274 3.132 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000608853194 506726739 /nfs/dbraw/zinc/72/67/39/506726739.db2.gz SEYQXKIGIXGPTG-UHFFFAOYSA-N 0 3 368.393 3.399 20 5 FGBDHN Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593724909 506748223 /nfs/dbraw/zinc/74/82/23/506748223.db2.gz BEFZXIIGPFCEIU-ZWKOTPCHSA-N 0 3 353.422 3.338 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000608974410 506755826 /nfs/dbraw/zinc/75/58/26/506755826.db2.gz TZRHGCBTVBTXPK-UHFFFAOYSA-N 0 3 359.455 3.392 20 5 FGBDHN CSc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000590532390 506852836 /nfs/dbraw/zinc/85/28/36/506852836.db2.gz OIWOOSXKNJCAAK-QGZVFWFLSA-N 0 3 359.451 3.349 20 5 FGBDHN COc1ccc(C2(NCCOc3cccc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000609358179 506864805 /nfs/dbraw/zinc/86/48/05/506864805.db2.gz OWFVSLDRWKFPCP-UHFFFAOYSA-N 0 3 372.421 3.278 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609489170 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374.485 3.357 20 5 FGBDHN CC(C)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@]1(O)CCOC1 ZINC000592375645 507625035 /nfs/dbraw/zinc/62/50/35/507625035.db2.gz XZRHROHTBLVMEQ-LJQANCHMSA-N 0 3 360.410 3.122 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595703852 507638333 /nfs/dbraw/zinc/63/83/33/507638333.db2.gz ALINUZVBJSTTGH-GDZNZVCISA-N 0 3 369.421 3.248 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595741793 507659619 /nfs/dbraw/zinc/65/96/19/507659619.db2.gz ZJQFWUYOCTVCFA-OAGGEKHMSA-N 0 3 362.426 3.027 20 5 FGBDHN COc1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000595759186 507672280 /nfs/dbraw/zinc/67/22/80/507672280.db2.gz JEYAXTJPJIMHLB-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN CCOc1ccc(NC(=O)CN[C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595820728 507699954 /nfs/dbraw/zinc/69/99/54/507699954.db2.gz VKNAHNHULGKEOO-HSBZDZAISA-N 0 3 367.421 3.438 20 5 FGBDHN CCOc1ccc(NC(=O)CN[C@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595820729 507700690 /nfs/dbraw/zinc/70/06/90/507700690.db2.gz VKNAHNHULGKEOO-IYXRBSQSSA-N 0 3 367.421 3.438 20 5 FGBDHN Cc1nn(C)c(C)c1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602503764 507730513 /nfs/dbraw/zinc/73/05/13/507730513.db2.gz QSJLFHZUBWUYIG-UHFFFAOYSA-N 0 3 356.348 3.296 20 5 FGBDHN O=C(c1cc2c(s1)CCNC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956149 507751182 /nfs/dbraw/zinc/75/11/82/507751182.db2.gz GHOYFXPZNNFLRB-UHFFFAOYSA-N 0 3 357.435 3.107 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC000069616839 695951546 /nfs/dbraw/zinc/95/15/46/695951546.db2.gz HKMHCZNVKUZNSZ-OAHLLOKOSA-N 0 3 361.829 3.151 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000097513483 700462792 /nfs/dbraw/zinc/46/27/92/700462792.db2.gz GTFDQSKEVVZACC-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000457104800 714064729 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Cc1ccc(CNC[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000765284387 723501861 /nfs/dbraw/zinc/50/18/61/723501861.db2.gz AETIPRORNALBND-INIZCTEOSA-N 0 3 365.227 3.489 20 5 FGBDHN O=[N+]([O-])c1cc2cnn(CN(C[C@H]3CCOC3)C3CC3)c2c(Cl)c1 ZINC000774633785 723912362 /nfs/dbraw/zinc/91/23/62/723912362.db2.gz CDPLYVAFVRZWKN-LLVKDONJSA-N 0 3 350.806 3.056 20 5 FGBDHN COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000775348188 723984431 /nfs/dbraw/zinc/98/44/31/723984431.db2.gz UDUKXLSNSPDHKS-AAEUAGOBSA-N 0 3 355.822 3.205 20 5 FGBDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000776828080 724187233 /nfs/dbraw/zinc/18/72/33/724187233.db2.gz OOWZZXMENSUHDZ-OLZOCXBDSA-N 0 3 353.394 3.081 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000809952044 725278187 /nfs/dbraw/zinc/27/81/87/725278187.db2.gz NSBJFDLTSICEKU-GFCCVEGCSA-N 0 3 374.268 3.056 20 5 FGBDHN Cc1ccc(-n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C(F)(F)F)cc1 ZINC000813105245 726839301 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506106031 /nfs/dbraw/zinc/10/60/31/506106031.db2.gz LBSLSYDXANOCJN-GOSISDBHSA-N 0 3 370.453 3.452 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN(C2CC2)C1 ZINC000295266767 498960535 /nfs/dbraw/zinc/96/05/35/498960535.db2.gz GODQUDKCRVCMTD-NSHDSACASA-N 0 3 371.359 3.170 20 5 FGBDHN COc1cccc(C2(NCCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000299144845 498977687 /nfs/dbraw/zinc/97/76/87/498977687.db2.gz WPFWLCUNZVDNLN-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2cccs2)CC1 ZINC000363991506 499077320 /nfs/dbraw/zinc/07/73/20/499077320.db2.gz YIYSZRWYUTYYNP-UHFFFAOYSA-N 0 3 374.466 3.120 20 5 FGBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000370305145 499207733 /nfs/dbraw/zinc/20/77/33/499207733.db2.gz GTSRJMBJFJYOTJ-KRWDZBQOSA-N 0 3 354.410 3.328 20 5 FGBDHN Cc1ccc(CN(C)C2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000367667645 499222810 /nfs/dbraw/zinc/22/28/10/499222810.db2.gz CHKKTXYELPYYNO-UHFFFAOYSA-N 0 3 354.454 3.395 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(Cc2ccncc2)CC1 ZINC000367672715 499223556 /nfs/dbraw/zinc/22/35/56/499223556.db2.gz RZRWJQJCIFYDGS-UHFFFAOYSA-N 0 3 354.454 3.395 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000371488137 499333280 /nfs/dbraw/zinc/33/32/80/499333280.db2.gz JDOIJTYYIOYOFS-CJNGLKHVSA-N 0 3 363.483 3.262 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000582142019 506143077 /nfs/dbraw/zinc/14/30/77/506143077.db2.gz ORJODYFFOPYJCU-XJKSGUPXSA-N 0 3 359.426 3.284 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000371677995 499353995 /nfs/dbraw/zinc/35/39/95/499353995.db2.gz XHXSTEGOZKOEHM-MRXNPFEDSA-N 0 3 367.384 3.097 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@@H]2c2nnc(C)o2)CC1 ZINC000373782044 499487777 /nfs/dbraw/zinc/48/77/77/499487777.db2.gz JXVXRJCJAZYTHK-OAHLLOKOSA-N 0 3 358.398 3.065 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000376406537 499606493 /nfs/dbraw/zinc/60/64/93/499606493.db2.gz IDNGAJHCRCISDS-UKRRQHHQSA-N 0 3 363.483 3.406 20 5 FGBDHN CS(=O)(=O)c1ccc(CNCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000414363615 499781091 /nfs/dbraw/zinc/78/10/91/499781091.db2.gz YEBXTEXSEGASTA-UHFFFAOYSA-N 0 3 368.480 3.172 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415487661 499896177 /nfs/dbraw/zinc/89/61/77/499896177.db2.gz UFEJBCAIOGBTEJ-KRWDZBQOSA-N 0 3 354.410 3.220 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415964954 499934633 /nfs/dbraw/zinc/93/46/33/499934633.db2.gz YWYGWLXWDLFUMA-UHFFFAOYSA-N 0 3 358.373 3.044 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425008381 499992230 /nfs/dbraw/zinc/99/22/30/499992230.db2.gz PAMMRSVNONVMKC-FXAWDEMLSA-N 0 3 365.433 3.250 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC000429330848 500053865 /nfs/dbraw/zinc/05/38/65/500053865.db2.gz DIFOPSHQCXNKCK-IRXDYDNUSA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425271538 500062070 /nfs/dbraw/zinc/06/20/70/500062070.db2.gz DCHRVGIZYJGZMX-ZWKOTPCHSA-N 0 3 352.438 3.317 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN(C)C)cc1F ZINC000413937633 500099927 /nfs/dbraw/zinc/09/99/27/500099927.db2.gz JDXXCWSQSVIQGG-UHFFFAOYSA-N 0 3 361.373 3.447 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000425470266 500115176 /nfs/dbraw/zinc/11/51/76/500115176.db2.gz FLEHNVZUABWCHG-CFVMTHIKSA-N 0 3 367.243 3.405 20 5 FGBDHN C[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000425491257 500121900 /nfs/dbraw/zinc/12/19/00/500121900.db2.gz ZPZUSDPCEVCMOK-LBPRGKRZSA-N 0 3 368.275 3.273 20 5 FGBDHN CN(C)CCOc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000576527894 506179076 /nfs/dbraw/zinc/17/90/76/506179076.db2.gz BAYOTZBLZDLWOE-IBGZPJMESA-N 0 3 355.438 3.312 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000417858250 500186008 /nfs/dbraw/zinc/18/60/08/500186008.db2.gz UWMMLOBSUBSZTH-JCGIZDLHSA-N 0 3 368.437 3.101 20 5 FGBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427604823 500410790 /nfs/dbraw/zinc/41/07/90/500410790.db2.gz SOSVBTHNDDZFPA-GHMZBOCLSA-N 0 3 359.348 3.103 20 5 FGBDHN C[C@H]1C[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CCN1C ZINC000420487178 500464245 /nfs/dbraw/zinc/46/42/45/500464245.db2.gz JMOZZXASGRWQPN-RYUDHWBXSA-N 0 3 355.398 3.248 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594293 500476183 /nfs/dbraw/zinc/47/61/83/500476183.db2.gz DCHGORIOHNCGBG-PBHICJAKSA-N 0 3 368.437 3.016 20 5 FGBDHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424343625 500489304 /nfs/dbraw/zinc/48/93/04/500489304.db2.gz GZYQIJCIKACXAT-YPMHNXCESA-N 0 3 373.434 3.121 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CSCCN2Cc2ccccc2)cs1 ZINC000428557417 500527359 /nfs/dbraw/zinc/52/73/59/500527359.db2.gz JFQYHLGSKKMZDH-MRXNPFEDSA-N 0 3 363.508 3.364 20 5 FGBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437181320 500611393 /nfs/dbraw/zinc/61/13/93/500611393.db2.gz FULAJQADBHXPAN-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN Cn1nccc1N1CCC[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433057272 500615332 /nfs/dbraw/zinc/61/53/32/500615332.db2.gz KXKTUQGIWWSFEV-KSSFIOAISA-N 0 3 369.469 3.309 20 5 FGBDHN CN(CCN1CCCC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447692477 500646976 /nfs/dbraw/zinc/64/69/76/500646976.db2.gz FOJRMHGNVJTBKJ-UHFFFAOYSA-N 0 3 368.306 3.176 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433301824 500666146 /nfs/dbraw/zinc/66/61/46/500666146.db2.gz WLLSIXMWJCFQNR-LJQANCHMSA-N 0 3 356.422 3.467 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN2CCCC[C@H]12 ZINC000447817795 500669699 /nfs/dbraw/zinc/66/96/99/500669699.db2.gz SJPKQMYMIIJQOI-UONOGXRCSA-N 0 3 353.806 3.074 20 5 FGBDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443653456 500750290 /nfs/dbraw/zinc/75/02/90/500750290.db2.gz HHEHUUNCFDHEAT-APWZRJJASA-N 0 3 357.454 3.345 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(C)c(S(C)(=O)=O)c1 ZINC000443991474 500787853 /nfs/dbraw/zinc/78/78/53/500787853.db2.gz UXZAFSCMRBNZFE-NTEUORMPSA-N 0 3 374.462 3.500 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(C)c(S(C)(=O)=O)c1 ZINC000443991475 500788190 /nfs/dbraw/zinc/78/81/90/500788190.db2.gz UXZAFSCMRBNZFE-ZROIWOOFSA-N 0 3 374.462 3.500 20 5 FGBDHN CC(C)N(C)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444042332 500795633 /nfs/dbraw/zinc/79/56/33/500795633.db2.gz IXPHWXCIRPWGLV-UHFFFAOYSA-N 0 3 373.403 3.030 20 5 FGBDHN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000448814963 500842347 /nfs/dbraw/zinc/84/23/47/500842347.db2.gz YIYFADJPDXJJPU-GFCCVEGCSA-N 0 3 373.375 3.464 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000439129619 500860620 /nfs/dbraw/zinc/86/06/20/500860620.db2.gz RCHGBHWROBOBEY-SCLBCKFNSA-N 0 3 356.426 3.058 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000444909735 500920805 /nfs/dbraw/zinc/92/08/05/500920805.db2.gz ZKEXNVTYVRFWKY-CQSZACIVSA-N 0 3 372.425 3.245 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000449126886 500930699 /nfs/dbraw/zinc/93/06/99/500930699.db2.gz NMWKFIQQWJXUHZ-CHWSQXEVSA-N 0 3 355.394 3.208 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)ccc1N1CCOCC1 ZINC000449154948 500936784 /nfs/dbraw/zinc/93/67/84/500936784.db2.gz AESCCGQGNUWTLF-OAHLLOKOSA-N 0 3 373.428 3.291 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCC23CCCCC3)cc1 ZINC000449235015 500953884 /nfs/dbraw/zinc/95/38/84/500953884.db2.gz DSSBCDPVNHBNBL-KRWDZBQOSA-N 0 3 366.483 3.461 20 5 FGBDHN COCCn1cc2c(n1)[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449243406 500956101 /nfs/dbraw/zinc/95/61/01/500956101.db2.gz KNYMHHKGKRTKTB-RHSMWYFYSA-N 0 3 358.442 3.036 20 5 FGBDHN COc1cccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499292 500986024 /nfs/dbraw/zinc/98/60/24/500986024.db2.gz FFFDTKPVPGKLOO-GOEBONIOSA-N 0 3 369.421 3.169 20 5 FGBDHN COc1cc(CNC[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449494487 501017639 /nfs/dbraw/zinc/01/76/39/501017639.db2.gz NHRUODZMIOKQBA-CJNGLKHVSA-N 0 3 352.431 3.153 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440595032 501027407 /nfs/dbraw/zinc/02/74/07/501027407.db2.gz MRZGTRMZTCGWPI-UHFFFAOYSA-N 0 3 351.353 3.426 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000449653141 501051322 /nfs/dbraw/zinc/05/13/22/501051322.db2.gz BUYSMWAYGKFMAV-KZNAEPCWSA-N 0 3 358.442 3.387 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000445955812 501054909 /nfs/dbraw/zinc/05/49/09/501054909.db2.gz ZLMSKSLMFMDLGW-UHFFFAOYSA-N 0 3 359.470 3.252 20 5 FGBDHN COC[C@]1(CO)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449697321 501064422 /nfs/dbraw/zinc/06/44/22/501064422.db2.gz LTAJSLPOEINZPB-GOSISDBHSA-N 0 3 362.451 3.154 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2C[C@@H](O)C2)cc1 ZINC000449744938 501074023 /nfs/dbraw/zinc/07/40/23/501074023.db2.gz AOEJPFZMDXBNCI-UWUNEBHHSA-N 0 3 364.405 3.060 20 5 FGBDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441281272 501113986 /nfs/dbraw/zinc/11/39/86/501113986.db2.gz TZNBLRNHDQYNBF-ONERCXAPSA-N 0 3 355.822 3.122 20 5 FGBDHN Cc1cccc2c1CCC[C@@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067811 506237641 /nfs/dbraw/zinc/23/76/41/506237641.db2.gz BBUROJCNVGCFDA-YJBOKZPZSA-N 0 3 356.422 3.310 20 5 FGBDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000436831900 501218314 /nfs/dbraw/zinc/21/83/14/501218314.db2.gz UNCJJPOSMVEKHR-AWEZNQCLSA-N 0 3 369.421 3.256 20 5 FGBDHN NC(=O)c1ccc(CN[C@H]2CCCC[C@H]2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000451294225 501258678 /nfs/dbraw/zinc/25/86/78/501258678.db2.gz GYIKQGNPCQHPMA-AAEUAGOBSA-N 0 3 359.348 3.295 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000451553272 501321458 /nfs/dbraw/zinc/32/14/58/501321458.db2.gz YAPROYKCPAEMCW-CTNGQTDRSA-N 0 3 370.449 3.352 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000451553276 501322008 /nfs/dbraw/zinc/32/20/08/501322008.db2.gz YAPROYKCPAEMCW-PZJWPPBQSA-N 0 3 370.449 3.352 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000458198260 501389941 /nfs/dbraw/zinc/38/99/41/501389941.db2.gz GYROEDXVGSDBEX-UHFFFAOYSA-N 0 3 372.450 3.342 20 5 FGBDHN C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000454204071 501481853 /nfs/dbraw/zinc/48/18/53/501481853.db2.gz BTHRCVRRWTXCDL-AWEZNQCLSA-N 0 3 356.426 3.217 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459547302 501674166 /nfs/dbraw/zinc/67/41/66/501674166.db2.gz WDKLUWXIRZYTBZ-SFHVURJKSA-N 0 3 363.458 3.009 20 5 FGBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000457362831 501687244 /nfs/dbraw/zinc/68/72/44/501687244.db2.gz NLGIMCLECJSTGA-LPHOPBHVSA-N 0 3 369.421 3.216 20 5 FGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474234143 501755457 /nfs/dbraw/zinc/75/54/57/501755457.db2.gz AFVMVKVZZQGYDP-IBGZPJMESA-N 0 3 355.438 3.180 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccc(F)cc4)CC3)nc2c1 ZINC000460351135 501800168 /nfs/dbraw/zinc/80/01/68/501800168.db2.gz WHURANDWZHOBFJ-UHFFFAOYSA-N 0 3 369.400 3.323 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000471142104 501933436 /nfs/dbraw/zinc/93/34/36/501933436.db2.gz JROGKFFRQMLYBE-IFXJQAMLSA-N 0 3 371.437 3.415 20 5 FGBDHN Cc1sc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592879755 506288093 /nfs/dbraw/zinc/28/80/93/506288093.db2.gz CFYQEWWXDVMMDZ-CABCVRRESA-N 0 3 359.451 3.040 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468482222 502074360 /nfs/dbraw/zinc/07/43/60/502074360.db2.gz AHABQYRYKBBBLB-HNNXBMFYSA-N 0 3 353.850 3.027 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C ZINC000475210566 502100196 /nfs/dbraw/zinc/10/01/96/502100196.db2.gz PRFYUWHSLACUQM-GXSJLCMTSA-N 0 3 360.336 3.218 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2CCOCC2)n1 ZINC000468603447 502120539 /nfs/dbraw/zinc/12/05/39/502120539.db2.gz SXAHFJYDKOCSLQ-VBKFSLOCSA-N 0 3 368.437 3.020 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccccc1F ZINC000468653103 502137286 /nfs/dbraw/zinc/13/72/86/502137286.db2.gz LZQNAVFLOJBOJJ-KAMYIIQDSA-N 0 3 357.385 3.157 20 5 FGBDHN CC(C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000482910533 502214040 /nfs/dbraw/zinc/21/40/40/502214040.db2.gz ILBKZSGWUUQOOX-QGZVFWFLSA-N 0 3 367.877 3.417 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000475570651 502215307 /nfs/dbraw/zinc/21/53/07/502215307.db2.gz TYOIXCKMGTWYET-INIZCTEOSA-N 0 3 362.426 3.301 20 5 FGBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475585540 502220237 /nfs/dbraw/zinc/22/02/37/502220237.db2.gz RTXHEFVIMBDBBF-KRWDZBQOSA-N 0 3 370.405 3.266 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000486656301 502222265 /nfs/dbraw/zinc/22/22/65/502222265.db2.gz YGLGWTIIFNJMFU-HNNXBMFYSA-N 0 3 373.478 3.219 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599062423 506302303 /nfs/dbraw/zinc/30/23/03/506302303.db2.gz PUNDMJZPFNTMKQ-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1c(Br)c(N(CCN(C)C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000461957733 502253329 /nfs/dbraw/zinc/25/33/29/502253329.db2.gz KZUQSKXQJJLROU-UHFFFAOYSA-N 0 3 371.279 3.371 20 5 FGBDHN COC(=O)COc1ccc(CN2CCCC23CCCCC3)cc1[N+](=O)[O-] ZINC000475709657 502261111 /nfs/dbraw/zinc/26/11/11/502261111.db2.gz MRTHUOGDXGYURK-UHFFFAOYSA-N 0 3 362.426 3.445 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000462198479 502345640 /nfs/dbraw/zinc/34/56/40/502345640.db2.gz JGROLRORICEFLL-QAPCUYQASA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000469335626 502379217 /nfs/dbraw/zinc/37/92/17/502379217.db2.gz WNFDBRQOUAXIJD-GFCCVEGCSA-N 0 3 368.480 3.171 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(N3CCCC3)nc2)n1 ZINC000472615945 502401192 /nfs/dbraw/zinc/40/11/92/502401192.db2.gz ZSVAEHYORPTBDO-DLBZAZTESA-N 0 3 370.457 3.060 20 5 FGBDHN CCC(=O)c1ccc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000480057991 502459955 /nfs/dbraw/zinc/45/99/55/502459955.db2.gz FCJDDEYRMVLKQW-HUUCEWRRSA-N 0 3 363.458 3.489 20 5 FGBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596213838 506314657 /nfs/dbraw/zinc/31/46/57/506314657.db2.gz HTVXKQXCCHITHM-GFCCVEGCSA-N 0 3 373.375 3.303 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644542 502519176 /nfs/dbraw/zinc/51/91/76/502519176.db2.gz SZRWSRWXUNMDDC-KSSFIOAISA-N 0 3 354.410 3.237 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487756670 502522702 /nfs/dbraw/zinc/52/27/02/502522702.db2.gz PAHWWFRJUDVHBC-UHFFFAOYSA-N 0 3 369.412 3.140 20 5 FGBDHN C[C@@H](CN(C)CCn1ccc([N+](=O)[O-])n1)Oc1ccc(Cl)c(Cl)c1 ZINC000469745403 502530513 /nfs/dbraw/zinc/53/05/13/502530513.db2.gz MFWUXVWPUKFHLW-NSHDSACASA-N 0 3 373.240 3.497 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596233173 506322439 /nfs/dbraw/zinc/32/24/39/506322439.db2.gz ZDPFTEFZYJODLF-VXGBXAGGSA-N 0 3 367.833 3.098 20 5 FGBDHN CCOC[C@H](O)CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484135885 502579201 /nfs/dbraw/zinc/57/92/01/502579201.db2.gz DESCRHCFGXKFIO-CHWSQXEVSA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO[C@@H]1C1CC1 ZINC000466475351 502581075 /nfs/dbraw/zinc/58/10/75/502581075.db2.gz SBCCVCUDGWVYLZ-WBVHZDCISA-N 0 3 356.369 3.491 20 5 FGBDHN CC(=O)c1ccc(NCC2(N(C)C)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000484196921 502598085 /nfs/dbraw/zinc/59/80/85/502598085.db2.gz CKMLJUWUFSFHIC-UHFFFAOYSA-N 0 3 353.422 3.309 20 5 FGBDHN O=c1[n-]ccc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596236978 506324244 /nfs/dbraw/zinc/32/42/44/506324244.db2.gz UFNWDICKDAJBCC-INIZCTEOSA-N 0 3 356.426 3.410 20 5 FGBDHN O=c1[n-]ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596236978 506324247 /nfs/dbraw/zinc/32/42/47/506324247.db2.gz UFNWDICKDAJBCC-INIZCTEOSA-N 0 3 356.426 3.410 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073965 502619482 /nfs/dbraw/zinc/61/94/82/502619482.db2.gz MQPARTKIHCEQRO-CABCVRRESA-N 0 3 362.474 3.250 20 5 FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470169416 502691237 /nfs/dbraw/zinc/69/12/37/502691237.db2.gz XUVKTMHGFWEQLZ-CQSZACIVSA-N 0 3 371.359 3.360 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000504895569 502819749 /nfs/dbraw/zinc/81/97/49/502819749.db2.gz USWGGRKAPYWVCF-GUYCJALGSA-N 0 3 353.488 3.081 20 5 FGBDHN CNc1c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505593255 502944718 /nfs/dbraw/zinc/94/47/18/502944718.db2.gz XXDMAPCSCFSKRT-SCLBCKFNSA-N 0 3 356.426 3.058 20 5 FGBDHN CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000513732887 503011773 /nfs/dbraw/zinc/01/17/73/503011773.db2.gz LIQDOIKGDTWXKM-UHFFFAOYSA-N 0 3 362.373 3.188 20 5 FGBDHN NC(=O)[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513790239 503023699 /nfs/dbraw/zinc/02/36/99/503023699.db2.gz UOMTWNYUYOQDCI-KVSKMBFKSA-N 0 3 353.422 3.122 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510415529 503110237 /nfs/dbraw/zinc/11/02/37/503110237.db2.gz MLKFILOICZLORK-KRWDZBQOSA-N 0 3 352.394 3.270 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC000510523938 503133099 /nfs/dbraw/zinc/13/30/99/503133099.db2.gz MXZMTUHZRFDMIN-QRWLVFNGSA-N 0 3 371.437 3.090 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000510528521 503135110 /nfs/dbraw/zinc/13/51/10/503135110.db2.gz XJPVJKMZSFYQKS-FOIQADDNSA-N 0 3 371.437 3.090 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000510545563 503141258 /nfs/dbraw/zinc/14/12/58/503141258.db2.gz HKLFMRBUCIUGDP-YWZLYKJASA-N 0 3 355.438 3.253 20 5 FGBDHN COc1cc(CN2CCN(CCC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000510640762 503162410 /nfs/dbraw/zinc/16/24/10/503162410.db2.gz MQEOYBJJKSKNDX-UHFFFAOYSA-N 0 3 365.474 3.166 20 5 FGBDHN C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1=CCN(C)CC1 ZINC000510795800 503194755 /nfs/dbraw/zinc/19/47/55/503194755.db2.gz SEAAXTGLNOAIML-LBPRGKRZSA-N 0 3 372.450 3.099 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000582691049 506366568 /nfs/dbraw/zinc/36/65/68/506366568.db2.gz KITXERYJNNZWCD-UHFFFAOYSA-N 0 3 363.458 3.332 20 5 FGBDHN CCOc1cc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC000492418687 503369433 /nfs/dbraw/zinc/36/94/33/503369433.db2.gz SRKMVEKQIIWHNZ-AWEZNQCLSA-N 0 3 367.409 3.425 20 5 FGBDHN COc1cc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492911796 503393359 /nfs/dbraw/zinc/39/33/59/503393359.db2.gz MWBAZTBHKKWBIH-CABCVRRESA-N 0 3 352.456 3.090 20 5 FGBDHN CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000596357910 506370703 /nfs/dbraw/zinc/37/07/03/506370703.db2.gz TVIUMMQIFAPOKE-SFHVURJKSA-N 0 3 362.474 3.043 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1C(F)(F)F ZINC000516048735 503436817 /nfs/dbraw/zinc/43/68/17/503436817.db2.gz LSYPJZHTYGEDGL-ZDUSSCGKSA-N 0 3 370.327 3.143 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593069080 506373287 /nfs/dbraw/zinc/37/32/87/506373287.db2.gz RRDVHFPRRDBUAW-NHCUHLMSSA-N 0 3 367.449 3.070 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)C2CCOCC2)c2ccccc2)c1 ZINC000494051720 503479783 /nfs/dbraw/zinc/47/97/83/503479783.db2.gz YQRZZEUVRAISGI-PMACEKPBSA-N 0 3 356.422 3.061 20 5 FGBDHN C[C@H]1CCCN(c2ccc(C(=O)NC3(CN(C)C)CCC3)cc2[N+](=O)[O-])C1 ZINC000508645425 503536023 /nfs/dbraw/zinc/53/60/23/503536023.db2.gz MYSYKKHPDQBJPI-HNNXBMFYSA-N 0 3 374.485 3.045 20 5 FGBDHN CN(c1nc2sccn2c1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000500375818 503610924 /nfs/dbraw/zinc/61/09/24/503610924.db2.gz CHTZCKHSOIIADR-UHFFFAOYSA-N 0 3 371.466 3.405 20 5 FGBDHN COCC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000508994435 503615280 /nfs/dbraw/zinc/61/52/80/503615280.db2.gz HJWRLMJKYCMXHA-BBRMVZONSA-N 0 3 351.447 3.271 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000540185020 503701417 /nfs/dbraw/zinc/70/14/17/503701417.db2.gz ZDBOKFRDYRGGNL-KBPBESRZSA-N 0 3 365.499 3.455 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C(C)C)C1=O ZINC000536872766 503745322 /nfs/dbraw/zinc/74/53/22/503745322.db2.gz YKOPZUIILUVUJM-ZIAGYGMSSA-N 0 3 351.472 3.064 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000536874612 503746758 /nfs/dbraw/zinc/74/67/58/503746758.db2.gz DCERWUHUYIWHGZ-CYBMUJFWSA-N 0 3 363.439 3.126 20 5 FGBDHN CCc1ccc(C(C)(C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000540458199 503777806 /nfs/dbraw/zinc/77/78/06/503777806.db2.gz HCNPRCQLRLBWNS-SFHVURJKSA-N 0 3 358.438 3.422 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1[N+](=O)[O-] ZINC000546874467 503911624 /nfs/dbraw/zinc/91/16/24/503911624.db2.gz QNVAXQJSWLGINM-PZGXJPJSSA-N 0 3 364.442 3.371 20 5 FGBDHN CN(C)CCOc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000546993531 503950376 /nfs/dbraw/zinc/95/03/76/503950376.db2.gz ALWHHRXTIUMHOL-UHFFFAOYSA-N 0 3 354.366 3.252 20 5 FGBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000544144075 504027099 /nfs/dbraw/zinc/02/70/99/504027099.db2.gz UKUXRQFSMGFUPX-NEWSRXKRSA-N 0 3 370.449 3.460 20 5 FGBDHN COC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C1CCCCC1 ZINC000541601574 504195164 /nfs/dbraw/zinc/19/51/64/504195164.db2.gz IBYLHCCRWTVGNW-OAHLLOKOSA-N 0 3 350.415 3.205 20 5 FGBDHN COc1cccc(N2C[C@H](NC/C=C\c3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000538395926 504234385 /nfs/dbraw/zinc/23/43/85/504234385.db2.gz JJLIWHSPZHIKLZ-GMNBZTITSA-N 0 3 367.405 3.012 20 5 FGBDHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000541739175 504239524 /nfs/dbraw/zinc/23/95/24/504239524.db2.gz YOXYKKMUHLWVGG-KBPBESRZSA-N 0 3 354.472 3.173 20 5 FGBDHN CC[C@H]1CCC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541762929 504246081 /nfs/dbraw/zinc/24/60/81/504246081.db2.gz RFGKAWPMVKFULU-LSDHHAIUSA-N 0 3 354.472 3.175 20 5 FGBDHN NC(=O)[C@H](CNC/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000541764199 504246390 /nfs/dbraw/zinc/24/63/90/504246390.db2.gz SSOLBLPTLJFMKH-WHWKNOJMSA-N 0 3 373.840 3.195 20 5 FGBDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000544895915 504294294 /nfs/dbraw/zinc/29/42/94/504294294.db2.gz WMHRINYCAWJPNS-CYBMUJFWSA-N 0 3 371.393 3.230 20 5 FGBDHN CN(C)CCOc1ccccc1-c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000545089340 504354465 /nfs/dbraw/zinc/35/44/65/504354465.db2.gz DHDJLKMQHMBXFU-UHFFFAOYSA-N 0 3 372.356 3.391 20 5 FGBDHN CCOc1cccc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000545163774 504381394 /nfs/dbraw/zinc/38/13/94/504381394.db2.gz XMYXPBVCUZWYES-GASCZTMLSA-N 0 3 351.447 3.295 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542354196 504459844 /nfs/dbraw/zinc/45/98/44/504459844.db2.gz WOJZZFGTANKBLU-ZDUSSCGKSA-N 0 3 371.890 3.331 20 5 FGBDHN Cc1ccc([C@H](C)NCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000531944605 504482946 /nfs/dbraw/zinc/48/29/46/504482946.db2.gz IXNHVBKKUIAGAU-SFHVURJKSA-N 0 3 368.481 3.376 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1C=Cc1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1 ZINC000545834592 504609329 /nfs/dbraw/zinc/60/93/29/504609329.db2.gz SFSYUHZWCKOSHY-IRQMKAKQSA-N 0 3 371.372 3.143 20 5 FGBDHN O=C(NC[C@H]1CCCN1CC1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000521037092 504634524 /nfs/dbraw/zinc/63/45/24/504634524.db2.gz DBNPGGOFMWPRQT-CQSZACIVSA-N 0 3 351.472 3.431 20 5 FGBDHN C[C@H](C1CCCCC1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000549158920 504706574 /nfs/dbraw/zinc/70/65/74/504706574.db2.gz FVXYXJKERRGKRF-GFCCVEGCSA-N 0 3 363.414 3.163 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000543141005 504740297 /nfs/dbraw/zinc/74/02/97/504740297.db2.gz AZPMKLAYUFAJIF-ROUUACIJSA-N 0 3 374.412 3.181 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000536498933 504748800 /nfs/dbraw/zinc/74/88/00/504748800.db2.gz VIGBXSPCXMNWIF-UHFFFAOYSA-N 0 3 350.806 3.196 20 5 FGBDHN CCCN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000553028936 504808801 /nfs/dbraw/zinc/80/88/01/504808801.db2.gz UCNUVCZJQOBIOT-HNNXBMFYSA-N 0 3 364.833 3.389 20 5 FGBDHN CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1N(C)C ZINC000549531757 504843894 /nfs/dbraw/zinc/84/38/94/504843894.db2.gz IBEYJFFNUBQNMM-ZIAGYGMSSA-N 0 3 363.405 3.091 20 5 FGBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000560094757 504990376 /nfs/dbraw/zinc/99/03/76/504990376.db2.gz RMFBYNORLXYXBG-KSSFIOAISA-N 0 3 362.426 3.102 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000565966098 505040872 /nfs/dbraw/zinc/04/08/72/505040872.db2.gz PMRZAYBEYVRDFK-KUHUBIRLSA-N 0 3 371.437 3.126 20 5 FGBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000554126474 505098014 /nfs/dbraw/zinc/09/80/14/505098014.db2.gz CBRCOPFJLKGJEG-DAYGRLMNSA-N 0 3 359.470 3.061 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000566284771 505134000 /nfs/dbraw/zinc/13/40/00/505134000.db2.gz XXKUUEVGJUGLOH-CYBMUJFWSA-N 0 3 365.449 3.200 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCCC23CCCC3)cc1 ZINC000551169454 505169627 /nfs/dbraw/zinc/16/96/27/505169627.db2.gz GPUMOTKYFSCXQX-QGZVFWFLSA-N 0 3 366.483 3.461 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000557600813 505179248 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FGBDHN CC[C@@H](C)N[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000561609492 505389763 /nfs/dbraw/zinc/38/97/63/505389763.db2.gz AZMMOLYAPSUVKG-RHSMWYFYSA-N 0 3 359.426 3.366 20 5 FGBDHN CSC1(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000558556474 505422684 /nfs/dbraw/zinc/42/26/84/505422684.db2.gz SNHYDUKFOPCMTR-UHFFFAOYSA-N 0 3 365.499 3.275 20 5 FGBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746754 505425289 /nfs/dbraw/zinc/42/52/89/505425289.db2.gz NCQVRVSAQNBRAK-MPGHIAIKSA-N 0 3 359.470 3.061 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccnc1 ZINC000561866679 505455359 /nfs/dbraw/zinc/45/53/59/505455359.db2.gz IXBDBJYIQDRRFG-QGZVFWFLSA-N 0 3 370.409 3.164 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC(C)CC1 ZINC000555564430 505458411 /nfs/dbraw/zinc/45/84/11/505458411.db2.gz JVFPPHZMQPUVQB-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000558690599 505464278 /nfs/dbraw/zinc/46/42/78/505464278.db2.gz IZRIGQVNVUPXHT-UPTPFMHGSA-N 0 3 359.470 3.421 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593103590 506394826 /nfs/dbraw/zinc/39/48/26/506394826.db2.gz SHZUWVGYNKQIAV-UHFFFAOYSA-N 0 3 373.428 3.303 20 5 FGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(CNC3CCCC3)nn2)c1 ZINC000603230578 506462165 /nfs/dbraw/zinc/46/21/65/506462165.db2.gz CWAQKPQVGIHWTP-UHFFFAOYSA-N 0 3 369.347 3.286 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596678925 506529159 /nfs/dbraw/zinc/52/91/59/506529159.db2.gz GJCKIMIGOJHVBQ-HNNXBMFYSA-N 0 3 360.458 3.142 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000589511980 506573756 /nfs/dbraw/zinc/57/37/56/506573756.db2.gz QZLTXBMWKIEQTQ-HZPDHXFCSA-N 0 3 350.415 3.063 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000603642919 506586778 /nfs/dbraw/zinc/58/67/78/506586778.db2.gz JVDQVZWGDREYCK-UHFFFAOYSA-N 0 3 372.425 3.247 20 5 FGBDHN COC(=O)[C@@H]1C[C@@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599709208 506596279 /nfs/dbraw/zinc/59/62/79/506596279.db2.gz QAZYJOQSOQQHTO-QDMKHBRRSA-N 0 3 350.415 3.026 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829339 506662233 /nfs/dbraw/zinc/66/22/33/506662233.db2.gz CCGYEQZAVKOPGA-ZDUSSCGKSA-N 0 3 357.414 3.139 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000583259045 506681550 /nfs/dbraw/zinc/68/15/50/506681550.db2.gz ZIPXIYRKQPZEJZ-UYAOXDASSA-N 0 3 356.422 3.140 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950162 506686196 /nfs/dbraw/zinc/68/61/96/506686196.db2.gz WBQDECYNRSWHMY-ITDIGPHOSA-N 0 3 362.348 3.490 20 5 FGBDHN CC(C)O[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000593656920 506716305 /nfs/dbraw/zinc/71/63/05/506716305.db2.gz BIMCNXKDCZNFGR-SFHVURJKSA-N 0 3 358.442 3.385 20 5 FGBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604191960 506745711 /nfs/dbraw/zinc/74/57/11/506745711.db2.gz FXHMIXAWIXVPLM-INIZCTEOSA-N 0 3 367.405 3.244 20 5 FGBDHN CCC[C@@H](NCc1ccc(-c2nncnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000593718564 506746206 /nfs/dbraw/zinc/74/62/06/506746206.db2.gz JXCPBQARXQGEEG-GOSISDBHSA-N 0 3 364.409 3.473 20 5 FGBDHN CCN1CCC(N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609027062 506765343 /nfs/dbraw/zinc/76/53/43/506765343.db2.gz GPDXGTYZVJPFMC-ZDUSSCGKSA-N 0 3 351.472 3.018 20 5 FGBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]2N1 ZINC000597205345 506833744 /nfs/dbraw/zinc/83/37/44/506833744.db2.gz JFQRYXONWNOOOK-PBHICJAKSA-N 0 3 371.462 3.424 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600228371 506859409 /nfs/dbraw/zinc/85/94/09/506859409.db2.gz KLEKOGSVIVCBQF-MRXNPFEDSA-N 0 3 357.410 3.478 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600228510 506860224 /nfs/dbraw/zinc/86/02/24/506860224.db2.gz CJAWVPYQPJARBH-CYBMUJFWSA-N 0 3 351.834 3.385 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000609346875 506861855 /nfs/dbraw/zinc/86/18/55/506861855.db2.gz SYNGSJGSPTUFHK-ZIAGYGMSSA-N 0 3 351.472 3.066 20 5 FGBDHN C[C@H]1[C@@H](N(C)C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000590568154 506863131 /nfs/dbraw/zinc/86/31/31/506863131.db2.gz BCMSISFGNSQJAW-YOEHRIQHSA-N 0 3 353.422 3.355 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000597255194 506864398 /nfs/dbraw/zinc/86/43/98/506864398.db2.gz SRGRTMUDKWYHHS-ORUDLHBZSA-N 0 3 353.422 3.497 20 5 FGBDHN COc1cc(CN(C)C2(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597255994 506866052 /nfs/dbraw/zinc/86/60/52/506866052.db2.gz RBVQZIFZZQTQOF-UHFFFAOYSA-N 0 3 372.421 3.139 20 5 FGBDHN COc1ccc(CNC2CCN(c3ccccc3OC)CC2)cc1[N+](=O)[O-] ZINC000609440388 506881906 /nfs/dbraw/zinc/88/19/06/506881906.db2.gz UHLNJPOFHWAGOP-UHFFFAOYSA-N 0 3 371.437 3.371 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2ccco2)C1 ZINC000609540179 506914744 /nfs/dbraw/zinc/91/47/44/506914744.db2.gz SCFXXKZEAJJFPL-ZDUSSCGKSA-N 0 3 359.382 3.015 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600467583 506963034 /nfs/dbraw/zinc/96/30/34/506963034.db2.gz ALPGRWAVHBPCLA-CYBMUJFWSA-N 0 3 371.359 3.360 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609732308 506983132 /nfs/dbraw/zinc/98/31/32/506983132.db2.gz PHDJOMJANLPYOV-CQSZACIVSA-N 0 3 369.849 3.008 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195284 507000280 /nfs/dbraw/zinc/00/02/80/507000280.db2.gz DPHADWAZXNMVFW-GJZGRUSLSA-N 0 3 371.359 3.360 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609833260 507017420 /nfs/dbraw/zinc/01/74/20/507017420.db2.gz FSVFGHUTIGZORH-KBPBESRZSA-N 0 3 351.472 3.066 20 5 FGBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874569 507033996 /nfs/dbraw/zinc/03/39/96/507033996.db2.gz MRRQBACZIQLMPI-GFCCVEGCSA-N 0 3 353.850 3.489 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609877846 507035289 /nfs/dbraw/zinc/03/52/89/507035289.db2.gz PPNZTNSPRDVVSH-CQSZACIVSA-N 0 3 374.466 3.323 20 5 FGBDHN CC(C)(NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283619 507061016 /nfs/dbraw/zinc/06/10/16/507061016.db2.gz LQVHGTJHUIWECJ-NVXWUHKLSA-N 0 3 360.458 3.146 20 5 FGBDHN CC(C)(NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283621 507062071 /nfs/dbraw/zinc/06/20/71/507062071.db2.gz LQVHGTJHUIWECJ-WBVHZDCISA-N 0 3 360.458 3.146 20 5 FGBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC000597711960 507070253 /nfs/dbraw/zinc/07/02/53/507070253.db2.gz ZEOZWLRCTHQTMC-INIZCTEOSA-N 0 3 371.359 3.172 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000610041115 507080216 /nfs/dbraw/zinc/08/02/16/507080216.db2.gz UEKPLKDVXQGVOX-UHFFFAOYSA-N 0 3 371.437 3.452 20 5 FGBDHN O=C1C[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000583998781 507096570 /nfs/dbraw/zinc/09/65/70/507096570.db2.gz KDJDRAOVGLDECQ-BTYIYWSLSA-N 0 3 365.433 3.285 20 5 FGBDHN Cc1ccc(Sc2ccc(CNC[C@H]3COCCN3)cc2[N+](=O)[O-])cc1 ZINC000600777603 507116499 /nfs/dbraw/zinc/11/64/99/507116499.db2.gz VHKRHALSFJELHP-INIZCTEOSA-N 0 3 373.478 3.132 20 5 FGBDHN CC(C)(C)C(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594515257 507164412 /nfs/dbraw/zinc/16/44/12/507164412.db2.gz LZFBAADAWYEEEJ-UHFFFAOYSA-N 0 3 353.850 3.375 20 5 FGBDHN Cc1cccc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610296614 507183162 /nfs/dbraw/zinc/18/31/62/507183162.db2.gz HXZOGWCBKZEEDL-QGZVFWFLSA-N 0 3 353.422 3.250 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000610296456 507183301 /nfs/dbraw/zinc/18/33/01/507183301.db2.gz DFIDNYCYMWIWHC-QGZVFWFLSA-N 0 3 357.385 3.080 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC2(CCCCC2)C1 ZINC000594628947 507217342 /nfs/dbraw/zinc/21/73/42/507217342.db2.gz QVASSWBAMWLFCC-CQSZACIVSA-N 0 3 363.483 3.210 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCCC2(O)CCOCC2)c2ccccc2)c1 ZINC000584237533 507230354 /nfs/dbraw/zinc/23/03/54/507230354.db2.gz CQEKYBUXBKYZHZ-IBGZPJMESA-N 0 3 356.422 3.205 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1cnn(C2CCN(C)CC2)c1 ZINC000601148647 507277297 /nfs/dbraw/zinc/27/72/97/507277297.db2.gz GECNCMPRZBSYDH-UHFFFAOYSA-N 0 3 359.430 3.069 20 5 FGBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598195584 507308148 /nfs/dbraw/zinc/30/81/48/507308148.db2.gz OVBDPSMLGKVIDS-SFHVURJKSA-N 0 3 371.412 3.123 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000594983728 507342097 /nfs/dbraw/zinc/34/20/97/507342097.db2.gz DFGICGSHGLFJOH-ITGUQSILSA-N 0 3 358.179 3.088 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(Cc2ccncc2)CC1 ZINC000595010420 507352396 /nfs/dbraw/zinc/35/23/96/507352396.db2.gz CGKMQHOGXYMLNA-OAHLLOKOSA-N 0 3 370.453 3.314 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000591768193 507353222 /nfs/dbraw/zinc/35/32/22/507353222.db2.gz LBABIJBRZSZDIM-LIRRHRJNSA-N 0 3 360.385 3.141 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccc(NC(C)=O)cc1 ZINC000595012829 507353436 /nfs/dbraw/zinc/35/34/36/507353436.db2.gz PBPZHNUYIVLSTH-CYBMUJFWSA-N 0 3 357.410 3.455 20 5 FGBDHN CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595012800 507354056 /nfs/dbraw/zinc/35/40/56/507354056.db2.gz OJVFLXODHWIHQZ-NZBBKZSKSA-N 0 3 354.472 3.334 20 5 FGBDHN COc1cccc(OC)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595074403 507379766 /nfs/dbraw/zinc/37/97/66/507379766.db2.gz RJFZIZMZWFCDGX-LSDHHAIUSA-N 0 3 360.414 3.082 20 5 FGBDHN CC[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595077845 507381350 /nfs/dbraw/zinc/38/13/50/507381350.db2.gz QNCGGUYHFHSFQX-MRXNPFEDSA-N 0 3 354.472 3.383 20 5 FGBDHN Cn1ncc(C2CCC2)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595098380 507390455 /nfs/dbraw/zinc/39/04/55/507390455.db2.gz PMSMYSYZKOUWJM-JKSUJKDBSA-N 0 3 358.446 3.066 20 5 FGBDHN CSC[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584558657 507408124 /nfs/dbraw/zinc/40/81/24/507408124.db2.gz BTYMBORKUIIDAF-MRVPVSSYSA-N 0 3 366.224 3.041 20 5 FGBDHN O=C(NCC12CCCN1CCC2)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000614226022 507413782 /nfs/dbraw/zinc/41/37/82/507413782.db2.gz YLNBHFMLZZCLBW-UHFFFAOYSA-N 0 3 361.445 3.040 20 5 FGBDHN O=C(C[C@@H]1NCc2ccccc21)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595247978 507437941 /nfs/dbraw/zinc/43/79/41/507437941.db2.gz DFFIDKKFRAYEJZ-IBGZPJMESA-N 0 3 353.422 3.268 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000610914902 507441314 /nfs/dbraw/zinc/44/13/14/507441314.db2.gz QMKAPHNBARIOCP-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN CCC(CC)[C@H](CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000610959393 507454989 /nfs/dbraw/zinc/45/49/89/507454989.db2.gz UTDFZZFSFLHYIQ-INIZCTEOSA-N 0 3 352.431 3.297 20 5 FGBDHN CCOC(=O)CCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000610996618 507472720 /nfs/dbraw/zinc/47/27/20/507472720.db2.gz IOAVVHGOFRHWAP-UHFFFAOYSA-N 0 3 350.415 3.029 20 5 FGBDHN C[C@]1(Cc2ccccc2F)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592143530 507505681 /nfs/dbraw/zinc/50/56/81/507505681.db2.gz GQNYDPCTYJWTEN-HXUWFJFHSA-N 0 3 371.412 3.430 20 5 FGBDHN Cc1ccc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CCC2)cc1 ZINC000592188332 507529292 /nfs/dbraw/zinc/52/92/92/507529292.db2.gz MKYKDUYIOQTWLU-QGZVFWFLSA-N 0 3 356.422 3.312 20 5 FGBDHN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000585718183 507604825 /nfs/dbraw/zinc/60/48/25/507604825.db2.gz RFIRKSRFMXGFPG-LLVKDONJSA-N 0 3 363.355 3.486 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000611394347 507661533 /nfs/dbraw/zinc/66/15/33/507661533.db2.gz DDSNWTRDIOAPTM-MRXNPFEDSA-N 0 3 362.813 3.267 20 5 FGBDHN Cc1c(NC(=O)CCN2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595816928 507698922 /nfs/dbraw/zinc/69/89/22/507698922.db2.gz ZKWXYGYCUJOKSG-CQSZACIVSA-N 0 3 361.442 3.265 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC(C2CC2)(C2CC2)C1 ZINC000595821961 507699989 /nfs/dbraw/zinc/69/99/89/507699989.db2.gz JXMIPMYIRWVTJA-UHFFFAOYSA-N 0 3 373.453 3.123 20 5 FGBDHN Cc1ccc2c(c1C)OC[C@@H]2NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507501 507729905 /nfs/dbraw/zinc/72/99/05/507729905.db2.gz SQOWWIBWSVJSPJ-SFHVURJKSA-N 0 3 368.437 3.299 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Br)s2)cc1 ZINC000113711372 700574902 /nfs/dbraw/zinc/57/49/02/700574902.db2.gz HNBBGMRJLRLFQT-GFCCVEGCSA-N 0 3 357.229 3.242 20 5 FGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136809968 704864782 /nfs/dbraw/zinc/86/47/82/704864782.db2.gz DDVJJXKETZOLKZ-INIZCTEOSA-N 0 3 352.337 3.362 20 5 FGBDHN CCc1cc(N2C[C@@H](C)N(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330856 719244301 /nfs/dbraw/zinc/24/43/01/719244301.db2.gz WNYYBWMGUFIHNX-ZIAGYGMSSA-N 0 3 355.442 3.143 20 5 FGBDHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000775348190 723984346 /nfs/dbraw/zinc/98/43/46/723984346.db2.gz UDUKXLSNSPDHKS-WCQYABFASA-N 0 3 355.822 3.205 20 5 FGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccc(Br)cc2n1 ZINC000813103231 726839278 /nfs/dbraw/zinc/83/92/78/726839278.db2.gz AZPQVWVDCQFCHO-VIFPVBQESA-N 0 3 353.172 3.128 20 5 FGBDHN CC(COC(=O)c1cc(Br)sc1Br)[N+](=O)[O-] ZINC000813103859 726839483 /nfs/dbraw/zinc/83/94/83/726839483.db2.gz HHIVPGVXSLMESZ-BYPYZUCNSA-N 0 3 373.022 3.095 20 5 FGBDHN CC(COC(=O)CCCC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109542 726839811 /nfs/dbraw/zinc/83/98/11/726839811.db2.gz LDKVUFGLTVTHDQ-JTQLQIEISA-N 0 3 358.188 3.011 20 5 FGBDHN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110089 726839836 /nfs/dbraw/zinc/83/98/36/726839836.db2.gz SBUOCAPZTCALOX-JTQLQIEISA-N 0 3 350.396 3.406 20 5 FGBDHN Cc1onc(-c2cccc(Br)c2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110474 726839887 /nfs/dbraw/zinc/83/98/87/726839887.db2.gz BJLBMNWSJDHYPB-QMMMGPOBSA-N 0 3 369.171 3.235 20 5 FGBDHN CC(COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)[N+](=O)[O-] ZINC000813113171 726840253 /nfs/dbraw/zinc/84/02/53/726840253.db2.gz XSXDHFKDYALEBP-MRVPVSSYSA-N 0 3 362.329 3.456 20 5 FGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822840750 729224320 /nfs/dbraw/zinc/22/43/20/729224320.db2.gz OXYXOLVBEGBQRI-UHFFFAOYSA-N 0 3 355.866 3.066 20 5 FGBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844298523 730699448 /nfs/dbraw/zinc/69/94/48/730699448.db2.gz KSZGTAOEGRYPTQ-ZJUUUORDSA-N 0 3 350.268 3.420 20 5 FGBDHN CC([C@H](OC(=O)CSCc1cscn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875145 730905132 /nfs/dbraw/zinc/90/51/32/730905132.db2.gz KJGYYWVKEAESKV-BONVTDFDSA-N 0 3 370.427 3.465 20 5 FGBDHN O=[N+]([O-])c1c(Br)cccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000856737112 732050259 /nfs/dbraw/zinc/05/02/59/732050259.db2.gz ZSJZZMASPTVACZ-LBPRGKRZSA-N 0 3 370.247 3.023 20 5 FGBDHN Cn1cc(CN2CC[C@H]3CSC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877738904 736711510 /nfs/dbraw/zinc/71/15/10/736711510.db2.gz MSNWBRRCLWSLIK-HOCLYGCPSA-N 0 3 358.467 3.180 20 5 FGBDHN Cn1cc(CN2CC[C@@H]3CSC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877738906 736712258 /nfs/dbraw/zinc/71/22/58/736712258.db2.gz MSNWBRRCLWSLIK-ZBFHGGJFSA-N 0 3 358.467 3.180 20 5 FGBDHN Cc1csc(C[C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000886692362 739285559 /nfs/dbraw/zinc/28/55/59/739285559.db2.gz XCWVRKJFQWKQPL-YOEHRIQHSA-N 0 3 361.467 3.348 20 5 FGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000888286978 739496639 /nfs/dbraw/zinc/49/66/39/739496639.db2.gz RRRKKBLZCLHABB-LBPRGKRZSA-N 0 3 350.806 3.035 20 5 FGBDHN CN(C)C(=O)c1cccc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892956932 740062858 /nfs/dbraw/zinc/06/28/58/740062858.db2.gz LJTMUUZVOUWNCG-UHFFFAOYSA-N 0 3 361.829 3.282 20 5 FGBDHN CC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000543451951 503776557 /nfs/dbraw/zinc/77/65/57/503776557.db2.gz HZNVSKFDPSBRSG-OAHLLOKOSA-N 0 3 362.430 3.073 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Cn2cncn2)cc1 ZINC000567970315 505586537 /nfs/dbraw/zinc/58/65/37/505586537.db2.gz DITNVBHAUCBIQM-HNNXBMFYSA-N 0 3 351.410 3.394 20 5 FGBDHN CSc1cc(C)ccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571158428 505668172 /nfs/dbraw/zinc/66/81/72/505668172.db2.gz HWPQQDHMECHCIK-OAHLLOKOSA-N 0 3 362.451 3.155 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000571206879 505679336 /nfs/dbraw/zinc/67/93/36/505679336.db2.gz GMKUHHNIVDDSQZ-XOKHGSTOSA-N 0 3 361.442 3.249 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000080902483 493788525 /nfs/dbraw/zinc/78/85/25/493788525.db2.gz UIZJVYJSLBYZAC-DJJJIMSYSA-N 0 3 363.458 3.009 20 5 FGBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000080933306 493795009 /nfs/dbraw/zinc/79/50/09/493795009.db2.gz PJTTZDGNNIPNTF-KBXCAEBGSA-N 0 3 360.410 3.123 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000076388417 493881461 /nfs/dbraw/zinc/88/14/61/493881461.db2.gz MEKDBEIEDNRMJI-INIZCTEOSA-N 0 3 353.422 3.331 20 5 FGBDHN CSc1ccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030534601 493896449 /nfs/dbraw/zinc/89/64/49/493896449.db2.gz XZOQARBODXXKFJ-XJKSGUPXSA-N 0 3 362.451 3.407 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3CN3CCCCC3)n2)c1 ZINC000069033334 493909011 /nfs/dbraw/zinc/90/90/11/493909011.db2.gz GQGDURLPWVRXIQ-KRWDZBQOSA-N 0 3 371.441 3.095 20 5 FGBDHN CCCN(CCN(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051469630 493971600 /nfs/dbraw/zinc/97/16/00/493971600.db2.gz OFNFCKUCPPBRNY-UHFFFAOYSA-N 0 3 362.455 3.132 20 5 FGBDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000032768906 494014683 /nfs/dbraw/zinc/01/46/83/494014683.db2.gz JBNJDFVYSPSZSR-YLJYHZDGSA-N 0 3 372.421 3.180 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccccc3)CC2)c1 ZINC000033853137 494063527 /nfs/dbraw/zinc/06/35/27/494063527.db2.gz HCDZBKZTAUJWCC-LJQANCHMSA-N 0 3 356.422 3.214 20 5 FGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCCCC2)CC1 ZINC000065460303 494200928 /nfs/dbraw/zinc/20/09/28/494200928.db2.gz PRTHUVOTJBEKQJ-UHFFFAOYSA-N 0 3 374.485 3.045 20 5 FGBDHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065860486 494248281 /nfs/dbraw/zinc/24/82/81/494248281.db2.gz YFSCDAQUFWTKBT-UHFFFAOYSA-N 0 3 365.433 3.396 20 5 FGBDHN Cc1c(NC(=O)CCN(C)[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000072772685 494248791 /nfs/dbraw/zinc/24/87/91/494248791.db2.gz HNKYJKCIEIJEJP-IBGZPJMESA-N 0 3 371.437 3.287 20 5 FGBDHN C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000054761414 494267946 /nfs/dbraw/zinc/26/79/46/494267946.db2.gz MAFWEBKOHRIYGY-OAHLLOKOSA-N 0 3 356.426 3.087 20 5 FGBDHN O=C(NC1CCCCC1)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055029498 494292183 /nfs/dbraw/zinc/29/21/83/494292183.db2.gz GZSNYBVVLGWBGC-UHFFFAOYSA-N 0 3 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ZINC000176527073 495683557 /nfs/dbraw/zinc/68/35/57/495683557.db2.gz UODKTTKNGRATKY-YJBOKZPZSA-N 0 3 368.437 3.057 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000179672245 495685183 /nfs/dbraw/zinc/68/51/83/495685183.db2.gz PXEADFFSNAEMLN-MRXNPFEDSA-N 0 3 362.813 3.267 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179746447 495715491 /nfs/dbraw/zinc/71/54/91/495715491.db2.gz KCLCQKDFPSOMRS-YLJYHZDGSA-N 0 3 370.405 3.140 20 5 FGBDHN COc1ccccc1C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000185884960 495764874 /nfs/dbraw/zinc/76/48/74/495764874.db2.gz NHCJRAUMPNIAJO-QGZVFWFLSA-N 0 3 371.437 3.059 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151385496 495823927 /nfs/dbraw/zinc/82/39/27/495823927.db2.gz KEXGEIMNENYBOX-MLGOLLRUSA-N 0 3 374.409 3.341 20 5 FGBDHN CN1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180197369 495901789 /nfs/dbraw/zinc/90/17/89/495901789.db2.gz 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Cc1c(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000155735561 496050989 /nfs/dbraw/zinc/05/09/89/496050989.db2.gz UQPORCRSXKNWDP-GOSISDBHSA-N 0 3 365.433 3.457 20 5 FGBDHN C[C@H]1CN(CCC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177479201 496078364 /nfs/dbraw/zinc/07/83/64/496078364.db2.gz GDPCKNRPFQPOLV-GJZGRUSLSA-N 0 3 367.515 3.368 20 5 FGBDHN O=C(CCN1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000186627392 496079724 /nfs/dbraw/zinc/07/97/24/496079724.db2.gz KIXOLNNWPMCHDH-FQEVSTJZSA-N 0 3 367.405 3.055 20 5 FGBDHN C[C@H]1CN(CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177482569 496079704 /nfs/dbraw/zinc/07/97/04/496079704.db2.gz JYHVONDWYXSJHV-IRXDYDNUSA-N 0 3 361.486 3.306 20 5 FGBDHN CCOc1cccc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000180698940 496108447 /nfs/dbraw/zinc/10/84/47/496108447.db2.gz CTZLCKKXVKRMBA-PBHICJAKSA-N 0 3 360.410 3.084 20 5 FGBDHN O=c1cc(CN2CCC(Cn3ccnn3)CC2)c2c(ccc3ccccc32)o1 ZINC000156015029 496133499 /nfs/dbraw/zinc/13/34/99/496133499.db2.gz FPZGIYCYKLSWHO-UHFFFAOYSA-N 0 3 374.444 3.450 20 5 FGBDHN Cc1c(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000174936922 496172036 /nfs/dbraw/zinc/17/20/36/496172036.db2.gz GIFGOTOJGKIUSV-GOSISDBHSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180908867 496194438 /nfs/dbraw/zinc/19/44/38/496194438.db2.gz TXQIZGBLHIKDMT-NWDGAFQWSA-N 0 3 371.384 3.046 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccsc3)CC2)c1 ZINC000186907667 496204656 /nfs/dbraw/zinc/20/46/56/496204656.db2.gz LGNVJIXCLWZKIE-KRWDZBQOSA-N 0 3 362.451 3.276 20 5 FGBDHN CCC[C@@H](NCCNC(=O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000178016897 496289526 /nfs/dbraw/zinc/28/95/26/496289526.db2.gz FUHQFHFQYUTLMZ-LJQANCHMSA-N 0 3 371.437 3.464 20 5 FGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000181287553 496341178 /nfs/dbraw/zinc/34/11/78/496341178.db2.gz KSOMTIXSPJBLQU-AWEZNQCLSA-N 0 3 371.393 3.281 20 5 FGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000156825741 496341491 /nfs/dbraw/zinc/34/14/91/496341491.db2.gz MTPRZRGORLEHSA-UHFFFAOYSA-N 0 3 354.410 3.455 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(CCCc3ccccc3)CC2)n1 ZINC000178206649 496369921 /nfs/dbraw/zinc/36/99/21/496369921.db2.gz YCAOKTSBZJOUOE-UHFFFAOYSA-N 0 3 354.454 3.443 20 5 FGBDHN C[C@@H](CO)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000580801765 505840622 /nfs/dbraw/zinc/84/06/22/505840622.db2.gz XCMUMZVICNBLLY-HNNXBMFYSA-N 0 3 366.421 3.260 20 5 FGBDHN COC(=O)COc1ccc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000187435803 496439834 /nfs/dbraw/zinc/43/98/34/496439834.db2.gz PWVHVJDEAAIJSP-FNORWQNLSA-N 0 3 370.405 3.292 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000153403532 496444218 /nfs/dbraw/zinc/44/42/18/496444218.db2.gz JVZMWAKLGHFVGX-AAEUAGOBSA-N 0 3 361.364 3.281 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(C4CCCCC4)CC3)n2)c1 ZINC000162980507 496444673 /nfs/dbraw/zinc/44/46/73/496444673.db2.gz ZMXRLLWQVCYLMQ-UHFFFAOYSA-N 0 3 371.441 3.095 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000163014507 496450538 /nfs/dbraw/zinc/45/05/38/496450538.db2.gz GSBMGOIDLHLDBS-IPYPFGDCSA-N 0 3 355.394 3.076 20 5 FGBDHN C[C@@]1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000157699259 496533285 /nfs/dbraw/zinc/53/32/85/496533285.db2.gz JWNLCGDSGKRDAV-IBGZPJMESA-N 0 3 369.425 3.166 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cccc(N2CCOCC2)c1 ZINC000571940673 505850879 /nfs/dbraw/zinc/85/08/79/505850879.db2.gz ZZNJKWNJRQALED-LJQANCHMSA-N 0 3 353.422 3.209 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCc2cccc(C(=O)NC)c2)cc1[N+](=O)[O-] ZINC000153929174 496626807 /nfs/dbraw/zinc/62/68/07/496626807.db2.gz KPXLGMOSTUBCLB-CQSZACIVSA-N 0 3 371.437 3.246 20 5 FGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000182005140 496632156 /nfs/dbraw/zinc/63/21/56/496632156.db2.gz UPZCVYYMQVQDKO-GFCCVEGCSA-N 0 3 361.373 3.422 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188080827 496676394 /nfs/dbraw/zinc/67/63/94/496676394.db2.gz KADRFITUYWUUHB-MGPQQGTHSA-N 0 3 365.499 3.413 20 5 FGBDHN O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000166749822 496692307 /nfs/dbraw/zinc/69/23/07/496692307.db2.gz ZBHMYZFASPIPHT-MAUKXSAKSA-N 0 3 369.421 3.291 20 5 FGBDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469989 496772984 /nfs/dbraw/zinc/77/29/84/496772984.db2.gz UVGLCLMBSJIBID-OAHLLOKOSA-N 0 3 373.457 3.093 20 5 FGBDHN Cc1c([C@@H](C)NCc2ccccc2Cn2cncn2)cccc1[N+](=O)[O-] ZINC000268770525 496779877 /nfs/dbraw/zinc/77/98/77/496779877.db2.gz PTTXATNJCCJZMR-OAHLLOKOSA-N 0 3 351.410 3.394 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1OC1CCC1 ZINC000571994822 505865465 /nfs/dbraw/zinc/86/54/65/505865465.db2.gz ZBJUEQOEEXEVSW-MRXNPFEDSA-N 0 3 372.421 3.056 20 5 FGBDHN CSc1cccc(C(=O)N[C@@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000188427904 496786799 /nfs/dbraw/zinc/78/67/99/496786799.db2.gz NAYZAKFJSGILGT-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCN(C2CCCC2)CC1 ZINC000273492115 496822340 /nfs/dbraw/zinc/82/23/40/496822340.db2.gz SRQAISDBMYXROO-UHFFFAOYSA-N 0 3 350.394 3.216 20 5 FGBDHN CCOC(=O)[C@@](C)(CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191632536 496840803 /nfs/dbraw/zinc/84/08/03/496840803.db2.gz WZIRRPWUVNLZDN-FQEVSTJZSA-N 0 3 372.421 3.214 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269174487 496886978 /nfs/dbraw/zinc/88/69/78/496886978.db2.gz BBFPWWPJTWGIFV-LBPRGKRZSA-N 0 3 357.435 3.360 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192062314 496981859 /nfs/dbraw/zinc/98/18/59/496981859.db2.gz COUJJCSCQLZDQB-RCCFBDPRSA-N 0 3 362.813 3.401 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000248372527 496985639 /nfs/dbraw/zinc/98/56/39/496985639.db2.gz ANKGKGCZVBHCTL-ZWKOTPCHSA-N 0 3 374.412 3.181 20 5 FGBDHN CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000264942071 497015094 /nfs/dbraw/zinc/01/50/94/497015094.db2.gz UEHAWVNZHGDQMZ-UHFFFAOYSA-N 0 3 359.451 3.393 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1cccs1 ZINC000248736259 497093262 /nfs/dbraw/zinc/09/32/62/497093262.db2.gz XEGLTYKZJLBNFS-PXAZEXFGSA-N 0 3 374.466 3.051 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000192487916 497129758 /nfs/dbraw/zinc/12/97/58/497129758.db2.gz AQFDGFPIRRZYFG-RDJZCZTQSA-N 0 3 353.422 3.154 20 5 FGBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000248910593 497132432 /nfs/dbraw/zinc/13/24/32/497132432.db2.gz QTNGMRMPZSASMV-CXAGYDPISA-N 0 3 358.394 3.486 20 5 FGBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC(C)C ZINC000189630250 497188255 /nfs/dbraw/zinc/18/82/55/497188255.db2.gz FPUORURIBIZMAJ-OAHLLOKOSA-N 0 3 371.503 3.167 20 5 FGBDHN Cn1cc(CNCCOc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237918305 497313695 /nfs/dbraw/zinc/31/36/95/497313695.db2.gz UDPYJCFKOGJLCN-UHFFFAOYSA-N 0 3 352.394 3.164 20 5 FGBDHN O=C(CN[C@H](c1ccccc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193350635 497357987 /nfs/dbraw/zinc/35/79/87/497357987.db2.gz VPXJVVOCQUEMGX-HXUWFJFHSA-N 0 3 351.406 3.225 20 5 FGBDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000193559778 497413823 /nfs/dbraw/zinc/41/38/23/497413823.db2.gz WKLAMCZDROGNHO-UHFFFAOYSA-N 0 3 356.426 3.499 20 5 FGBDHN CCOc1ccc([C@H](C)NC2CCN(c3cc(C)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000275781215 497428996 /nfs/dbraw/zinc/42/89/96/497428996.db2.gz ACZFTOZGOAWBLM-AWEZNQCLSA-N 0 3 373.457 3.345 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](C)C1 ZINC000245522793 497439524 /nfs/dbraw/zinc/43/95/24/497439524.db2.gz MDAILVNTFOSUCE-VXGBXAGGSA-N 0 3 371.384 3.046 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000275848421 497446117 /nfs/dbraw/zinc/44/61/17/497446117.db2.gz NJEWVPBGUZLFFN-UHFFFAOYSA-N 0 3 366.421 3.361 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3nnc[n-]3)c3ccccc3)c2c1 ZINC000572201714 505912634 /nfs/dbraw/zinc/91/26/34/505912634.db2.gz PQUYIBANQFPFRA-SFHVURJKSA-N 0 3 362.393 3.116 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H](c3nnc[nH]3)c3ccccc3)c2c1 ZINC000572201714 505912640 /nfs/dbraw/zinc/91/26/40/505912640.db2.gz PQUYIBANQFPFRA-SFHVURJKSA-N 0 3 362.393 3.116 20 5 FGBDHN CSc1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272186352 497559181 /nfs/dbraw/zinc/55/91/81/497559181.db2.gz MPFDQEBOFIARNI-GFCCVEGCSA-N 0 3 351.472 3.119 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245962937 497585892 /nfs/dbraw/zinc/58/58/92/497585892.db2.gz MUVYIPRAHXKGHP-HKUYNNGSSA-N 0 3 374.485 3.043 20 5 FGBDHN CCOC(=O)C1CCC(O)(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000191038118 497689681 /nfs/dbraw/zinc/68/96/81/497689681.db2.gz HTCJBHHRZAHMLL-TZGCNFNXSA-N 0 3 364.442 3.038 20 5 FGBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000276961546 497700427 /nfs/dbraw/zinc/70/04/27/497700427.db2.gz MAKCUDJXADHNAI-VZJVUDMVSA-N 0 3 355.822 3.122 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000191092289 497706679 /nfs/dbraw/zinc/70/66/79/497706679.db2.gz RUXBFFVAFFNHCV-UHFFFAOYSA-N 0 3 372.425 3.199 20 5 FGBDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277041448 497723776 /nfs/dbraw/zinc/72/37/76/497723776.db2.gz TZNBLRNHDQYNBF-WKPIXPDZSA-N 0 3 355.822 3.122 20 5 FGBDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299728052 497910365 /nfs/dbraw/zinc/91/03/65/497910365.db2.gz VQGGSFGLWJRIJF-QGZVFWFLSA-N 0 3 372.425 3.410 20 5 FGBDHN CCc1cc(NC[C@@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301184529 497989141 /nfs/dbraw/zinc/98/91/41/497989141.db2.gz CWBVHZTZJSVJDC-AWEZNQCLSA-N 0 3 355.442 3.368 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000364623433 498056330 /nfs/dbraw/zinc/05/63/30/498056330.db2.gz GKYWDALBBNIKSA-SUMWQHHRSA-N 0 3 359.451 3.388 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289444328 498150342 /nfs/dbraw/zinc/15/03/42/498150342.db2.gz WTFFCUUUIGAQCX-MRXNPFEDSA-N 0 3 354.410 3.198 20 5 FGBDHN Cc1cc(F)c(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296708985 498163434 /nfs/dbraw/zinc/16/34/34/498163434.db2.gz KZZXGJGOEWIQCO-GFCCVEGCSA-N 0 3 352.410 3.236 20 5 FGBDHN CCOC1CC2(C1)CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000289526684 498180966 /nfs/dbraw/zinc/18/09/66/498180966.db2.gz HLCUOOYFNINDLH-UHFFFAOYSA-N 0 3 370.453 3.386 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000301712942 498235752 /nfs/dbraw/zinc/23/57/52/498235752.db2.gz INLSBPXPRSRUCW-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN CCCC[C@H](CN)NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000572600253 506008652 /nfs/dbraw/zinc/00/86/52/506008652.db2.gz IZKXKTAENOVHRJ-CYBMUJFWSA-N 0 3 373.403 3.207 20 5 FGBDHN O=[N+]([O-])c1ccc2nc(N3CC[C@H](OCCN4CCCCC4)C3)ccc2c1 ZINC000301821732 498280605 /nfs/dbraw/zinc/28/06/05/498280605.db2.gz GYEKQQOVWZIYMR-SFHVURJKSA-N 0 3 370.453 3.224 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301946282 498340195 /nfs/dbraw/zinc/34/01/95/498340195.db2.gz XNKIACSAFPDDDE-UHFFFAOYSA-N 0 3 372.454 3.052 20 5 FGBDHN Cc1cc(NC2CCN([C@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302022619 498371963 /nfs/dbraw/zinc/37/19/63/498371963.db2.gz OQOTXPQMMGKJPY-HNNXBMFYSA-N 0 3 356.426 3.117 20 5 FGBDHN COc1ccc(C[C@](C)(O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000290051147 498407715 /nfs/dbraw/zinc/40/77/15/498407715.db2.gz FBRFYCODEIDKJS-XOBRGWDASA-N 0 3 374.437 3.256 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000365375432 498431104 /nfs/dbraw/zinc/43/11/04/498431104.db2.gz DBQPGNUEBQRBFI-UHFFFAOYSA-N 0 3 369.425 3.431 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000302182326 498431759 /nfs/dbraw/zinc/43/17/59/498431759.db2.gz RESAOVDZJBINPM-WBVHZDCISA-N 0 3 370.453 3.488 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000332142905 498577339 /nfs/dbraw/zinc/57/73/39/498577339.db2.gz HBFLBSZLDOCGRT-HOCLYGCPSA-N 0 3 363.483 3.162 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302812750 498584550 /nfs/dbraw/zinc/58/45/50/498584550.db2.gz HLGJEPFXIGQXCI-ZDUSSCGKSA-N 0 3 354.882 3.242 20 5 FGBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365746987 498622978 /nfs/dbraw/zinc/62/29/78/498622978.db2.gz OVDLNLXAOKMIKJ-RTBURBONSA-N 0 3 365.433 3.189 20 5 FGBDHN CNC(=O)[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000578987624 506068029 /nfs/dbraw/zinc/06/80/29/506068029.db2.gz AAZCMHVOOAETBX-PBHICJAKSA-N 0 3 373.428 3.298 20 5 FGBDHN COCCOCc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000294364567 498670940 /nfs/dbraw/zinc/67/09/40/498670940.db2.gz QOXCDGVNNTZIDI-AWEZNQCLSA-N 0 3 359.426 3.191 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn(C)nc1-c1cccnc1 ZINC000282975967 498732504 /nfs/dbraw/zinc/73/25/04/498732504.db2.gz IXYDSEOSPKYTGO-UHFFFAOYSA-N 0 3 351.410 3.065 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000324427409 498827630 /nfs/dbraw/zinc/82/76/30/498827630.db2.gz AUNOGGAKOAGDJO-CQSZACIVSA-N 0 3 371.220 3.431 20 5 FGBDHN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ccc1-n1cncn1 ZINC000579175648 506109414 /nfs/dbraw/zinc/10/94/14/506109414.db2.gz WWYGWGJTQLFPJQ-UHFFFAOYSA-N 0 3 351.410 3.158 20 5 FGBDHN O=C(CCN[C@H](CCCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000298881266 498906496 /nfs/dbraw/zinc/90/64/96/498906496.db2.gz KEJHPEMYJQRJIM-MRXNPFEDSA-N 0 3 357.410 3.027 20 5 FGBDHN Cc1c(CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000573095726 506118266 /nfs/dbraw/zinc/11/82/66/506118266.db2.gz IQANXRQSFCPKGJ-NRFANRHFSA-N 0 3 367.449 3.227 20 5 FGBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291825205 499078761 /nfs/dbraw/zinc/07/87/61/499078761.db2.gz BKHMVTGHTBTZJP-ISVAXAHUSA-N 0 3 358.225 3.114 20 5 FGBDHN CCOc1ccc([C@H](C)NCc2ccnc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000371312187 499308878 /nfs/dbraw/zinc/30/88/78/499308878.db2.gz CIMUNKQEPSAWFL-AWEZNQCLSA-N 0 3 367.409 3.425 20 5 FGBDHN Cc1ccc(C(=O)N(C)C2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000368929188 499347487 /nfs/dbraw/zinc/34/74/87/499347487.db2.gz GHWCHLCRRSQBBJ-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN Cc1sc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369569016 499419657 /nfs/dbraw/zinc/41/96/57/499419657.db2.gz MULBOJVTINKFJB-ABAIWWIYSA-N 0 3 365.480 3.449 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000372409260 499431183 /nfs/dbraw/zinc/43/11/83/499431183.db2.gz RECBOOJJBUFOKK-GUYCJALGSA-N 0 3 374.828 3.066 20 5 FGBDHN COc1cc(NCC2(O)CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000397522909 499564161 /nfs/dbraw/zinc/56/41/61/499564161.db2.gz WJMWVKVVTPQOLO-UHFFFAOYSA-N 0 3 371.437 3.042 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411272485 499719838 /nfs/dbraw/zinc/71/98/38/499719838.db2.gz SWPKEJFGGVJGND-VQTJNVASSA-N 0 3 367.449 3.289 20 5 FGBDHN Cc1cc(N2CCC[C@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n(C)n1 ZINC000570394210 506157853 /nfs/dbraw/zinc/15/78/53/506157853.db2.gz ZHXVUWBLFJPTNR-CVEARBPZSA-N 0 3 357.458 3.265 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)c2ccc(F)cc2)c1 ZINC000414534641 499804618 /nfs/dbraw/zinc/80/46/18/499804618.db2.gz VJKNWNXPSSWFOF-ZDUSSCGKSA-N 0 3 370.327 3.201 20 5 FGBDHN CC(C)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC(=O)N1 ZINC000414551557 499807182 /nfs/dbraw/zinc/80/71/82/499807182.db2.gz BQMOYFJTSJELJX-AWEZNQCLSA-N 0 3 357.410 3.344 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000414555974 499808135 /nfs/dbraw/zinc/80/81/35/499808135.db2.gz UZRPYFGAJFSHQP-QCUIPMNBSA-N 0 3 357.454 3.475 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412178748 499831160 /nfs/dbraw/zinc/83/11/60/499831160.db2.gz TVTCIWFRYZHZKA-ZWKOTPCHSA-N 0 3 373.478 3.350 20 5 FGBDHN CCOC(=O)c1csc(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000570409725 506161521 /nfs/dbraw/zinc/16/15/21/506161521.db2.gz CQJDHFKKUHVIMK-CYBMUJFWSA-N 0 3 361.423 3.048 20 5 FGBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000573290825 506162532 /nfs/dbraw/zinc/16/25/32/506162532.db2.gz QGPYLIVZBDIGMP-LPHOPBHVSA-N 0 3 351.410 3.006 20 5 FGBDHN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)(C)CN1CCCC1 ZINC000416096098 499947944 /nfs/dbraw/zinc/94/79/44/499947944.db2.gz CXLJTWCAKJKAGV-UHFFFAOYSA-N 0 3 371.384 3.143 20 5 FGBDHN CN(C(=O)CSc1ccccc1[N+](=O)[O-])C(C)(C)CN1CCCC1 ZINC000416108098 499949246 /nfs/dbraw/zinc/94/92/46/499949246.db2.gz PLQOKYDEMRZFRG-UHFFFAOYSA-N 0 3 351.472 3.020 20 5 FGBDHN CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000413455334 499961982 /nfs/dbraw/zinc/96/19/82/499961982.db2.gz NRSBPBQHEGSSRQ-RBUKOAKNSA-N 0 3 359.470 3.277 20 5 FGBDHN CC[C@@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421391844 500035566 /nfs/dbraw/zinc/03/55/66/500035566.db2.gz UPHCUWBBXAZIHQ-CHWSQXEVSA-N 0 3 374.384 3.295 20 5 FGBDHN CCOc1ccc([C@@H](C)NCC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000417383482 500055655 /nfs/dbraw/zinc/05/56/55/500055655.db2.gz OSDOZAHXLJQNPD-CQSZACIVSA-N 0 3 366.458 3.212 20 5 FGBDHN O=C([N-]c1ncc(C2CC[NH2+]CC2)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423946335 500422591 /nfs/dbraw/zinc/42/25/91/500422591.db2.gz JHSRSQJXLQNZDF-UHFFFAOYSA-N 0 3 366.830 3.424 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424032517 500439474 /nfs/dbraw/zinc/43/94/74/500439474.db2.gz VYLUBLAAIXCGEY-DOTOQJQBSA-N 0 3 371.412 3.226 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431957688 500447907 /nfs/dbraw/zinc/44/79/07/500447907.db2.gz XQJQHWNTZACFCZ-HUUCEWRRSA-N 0 3 362.474 3.392 20 5 FGBDHN C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CCN1C ZINC000420496976 500467281 /nfs/dbraw/zinc/46/72/81/500467281.db2.gz AHCCDJLJMHCXOM-RYUDHWBXSA-N 0 3 357.414 3.201 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420988017 500548203 /nfs/dbraw/zinc/54/82/03/500548203.db2.gz SBQWSDGKJYPFQM-NVXWUHKLSA-N 0 3 366.364 3.321 20 5 FGBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCCO1 ZINC000432862326 500579856 /nfs/dbraw/zinc/57/98/56/500579856.db2.gz DOWCBGPTLIXFGX-GFCCVEGCSA-N 0 3 359.373 3.109 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437190239 500612431 /nfs/dbraw/zinc/61/24/31/500612431.db2.gz XIBZZIYFNGJMKH-NSHDSACASA-N 0 3 359.348 3.075 20 5 FGBDHN CCN(C)CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720563 500615139 /nfs/dbraw/zinc/61/51/39/500615139.db2.gz JQSYDRQVMBQJBR-UHFFFAOYSA-N 0 3 359.451 3.428 20 5 FGBDHN Cn1nccc1N1CCC[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433057270 500615310 /nfs/dbraw/zinc/61/53/10/500615310.db2.gz KXKTUQGIWWSFEV-KBXCAEBGSA-N 0 3 369.469 3.309 20 5 FGBDHN Cn1nccc1N1CCC[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433057273 500615391 /nfs/dbraw/zinc/61/53/91/500615391.db2.gz KXKTUQGIWWSFEV-RDTXWAMCSA-N 0 3 369.469 3.309 20 5 FGBDHN CC(C)CN1CCO[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137195 500633460 /nfs/dbraw/zinc/63/34/60/500633460.db2.gz SFGHXZJMEVMHER-VQIMIIECSA-N 0 3 361.486 3.264 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C ZINC000443400383 500718614 /nfs/dbraw/zinc/71/86/14/500718614.db2.gz QJESRJMSDGPLQB-QRWLVFNGSA-N 0 3 370.453 3.123 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000433900881 500762192 /nfs/dbraw/zinc/76/21/92/500762192.db2.gz KPMWGIXDQOSYFK-YOEHRIQHSA-N 0 3 360.458 3.280 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCCN1C1CC1 ZINC000433918531 500764454 /nfs/dbraw/zinc/76/44/54/500764454.db2.gz KANHGUZOXTYENJ-OAHLLOKOSA-N 0 3 366.849 3.064 20 5 FGBDHN C[C@@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602570014 506220400 /nfs/dbraw/zinc/22/04/00/506220400.db2.gz RCYKVKIHWRMSIX-BDAKNGLRSA-N 0 3 360.277 3.134 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000602571370 506220513 /nfs/dbraw/zinc/22/05/13/506220513.db2.gz LAZYVZWXUXJNGC-SNVBAGLBSA-N 0 3 357.233 3.309 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315412 500884146 /nfs/dbraw/zinc/88/41/46/500884146.db2.gz BIRXCLZPZOXAIN-ZBFHGGJFSA-N 0 3 353.422 3.462 20 5 FGBDHN CCS(=O)(=O)c1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449250863 500957698 /nfs/dbraw/zinc/95/76/98/500957698.db2.gz MTJUXLLXDLOWEL-CQSZACIVSA-N 0 3 362.451 3.109 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000449508121 501021314 /nfs/dbraw/zinc/02/13/14/501021314.db2.gz MVFUNYZNMXMVKJ-GDBMZVCRSA-N 0 3 356.369 3.083 20 5 FGBDHN CSc1ccccc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000440610841 501028722 /nfs/dbraw/zinc/02/87/22/501028722.db2.gz IASXULWAHJKFDP-ZFWWWQNUSA-N 0 3 362.451 3.407 20 5 FGBDHN O=[N+]([O-])c1cc(CN2CCCc3ccccc3CC2)c2c(c1)COCO2 ZINC000449552679 501031441 /nfs/dbraw/zinc/03/14/41/501031441.db2.gz KCUHEOOJMIXSMW-UHFFFAOYSA-N 0 3 354.406 3.452 20 5 FGBDHN CN(C)CC[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000449880288 501115627 /nfs/dbraw/zinc/11/56/27/501115627.db2.gz NCQBQJBLQIERFY-QGZVFWFLSA-N 0 3 363.458 3.040 20 5 FGBDHN CCC[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1CCOC ZINC000450418056 501116949 /nfs/dbraw/zinc/11/69/49/501116949.db2.gz KQGLVUWTJBRLHH-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCN1Cc1ccccc1 ZINC000450423553 501118815 /nfs/dbraw/zinc/11/88/15/501118815.db2.gz IYSQCLPNZPNSKO-KRWDZBQOSA-N 0 3 355.442 3.184 20 5 FGBDHN COc1cccc([C@H]2[C@H](Nc3ccc([N+](=O)[O-])nc3)CCN2C2CC2)c1 ZINC000450426017 501119704 /nfs/dbraw/zinc/11/97/04/501119704.db2.gz BMSXAYSNEMYRAH-MJGOQNOKSA-N 0 3 354.410 3.388 20 5 FGBDHN COc1ccc(OCCN(C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441421300 501136593 /nfs/dbraw/zinc/13/65/93/501136593.db2.gz IETYEOXTNPFSME-QGZVFWFLSA-N 0 3 360.410 3.038 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000450810695 501212826 /nfs/dbraw/zinc/21/28/26/501212826.db2.gz MYZXHQXFDGCZQH-OAHLLOKOSA-N 0 3 357.458 3.078 20 5 FGBDHN Cc1nc(Nc2ccc(CCN3CCSCC3)cc2)ncc1[N+](=O)[O-] ZINC000450290015 501226875 /nfs/dbraw/zinc/22/68/75/501226875.db2.gz QBBBNIHMEXYWQB-UHFFFAOYSA-N 0 3 359.455 3.028 20 5 FGBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450921438 501229831 /nfs/dbraw/zinc/22/98/31/501229831.db2.gz HVKWZCUBDXYCFV-UHFFFAOYSA-N 0 3 372.416 3.024 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000450973028 501236141 /nfs/dbraw/zinc/23/61/41/501236141.db2.gz RXFAKZBQUMRGAS-JKSUJKDBSA-N 0 3 361.442 3.169 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451108582 501246322 /nfs/dbraw/zinc/24/63/22/501246322.db2.gz WZQSXOLEUPEKMD-LRDDRELGSA-N 0 3 350.802 3.339 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000455463871 501309283 /nfs/dbraw/zinc/30/92/83/501309283.db2.gz MFJASUDGAHJWEE-CQSZACIVSA-N 0 3 360.458 3.495 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000458223267 501397431 /nfs/dbraw/zinc/39/74/31/501397431.db2.gz MMLOACVHFSBENX-UHFFFAOYSA-N 0 3 372.450 3.342 20 5 FGBDHN Cc1cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1CN(C)C ZINC000458260795 501405905 /nfs/dbraw/zinc/40/59/05/501405905.db2.gz IGZZLSHDFDQOEK-UHFFFAOYSA-N 0 3 363.364 3.424 20 5 FGBDHN COc1ccc(OCCN2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000451961226 501408967 /nfs/dbraw/zinc/40/89/67/501408967.db2.gz DDYQQPNNZUMCGN-KRWDZBQOSA-N 0 3 352.456 3.201 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000458523370 501465816 /nfs/dbraw/zinc/46/58/16/501465816.db2.gz WBJACDANDBQQHD-ZFWWWQNUSA-N 0 3 360.458 3.090 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(CF)CCOCC1 ZINC000602673362 506257317 /nfs/dbraw/zinc/25/73/17/506257317.db2.gz AVWNVZNOHGCLJI-UHFFFAOYSA-N 0 3 350.312 3.470 20 5 FGBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2C1 ZINC000592826647 506266071 /nfs/dbraw/zinc/26/60/71/506266071.db2.gz FTSMIMVHEHWKLX-UHFFFAOYSA-N 0 3 354.410 3.023 20 5 FGBDHN CCN1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000459485279 501661907 /nfs/dbraw/zinc/66/19/07/501661907.db2.gz TZFBHANFMAOYKY-HUUCEWRRSA-N 0 3 358.442 3.207 20 5 FGBDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459663792 501695403 /nfs/dbraw/zinc/69/54/03/501695403.db2.gz GIYBTGCZSWCQEU-CABCVRRESA-N 0 3 360.410 3.002 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000459787830 501714196 /nfs/dbraw/zinc/71/41/96/501714196.db2.gz QBCVZNZHDVXWBU-HUUCEWRRSA-N 0 3 372.368 3.252 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2CCc3cc(C)ccc32)cc1[N+](=O)[O-] ZINC000474357503 501803873 /nfs/dbraw/zinc/80/38/73/501803873.db2.gz UKSCVLMHEWXING-QGZVFWFLSA-N 0 3 370.405 3.232 20 5 FGBDHN CC(C)O[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000464070889 501888815 /nfs/dbraw/zinc/88/88/15/501888815.db2.gz IXHSTHOKKGNOPI-JKSUJKDBSA-N 0 3 350.415 3.143 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485682848 501899673 /nfs/dbraw/zinc/89/96/73/501899673.db2.gz MRUNIGZYWMRVHQ-LBPRGKRZSA-N 0 3 371.384 3.191 20 5 FGBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000478615734 502034207 /nfs/dbraw/zinc/03/42/07/502034207.db2.gz NZDXURRKUORDRH-UONOGXRCSA-N 0 3 351.472 3.066 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086817 502050880 /nfs/dbraw/zinc/05/08/80/502050880.db2.gz IUFIUAGZPPHRBX-LIRRHRJNSA-N 0 3 362.426 3.159 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086812 502050916 /nfs/dbraw/zinc/05/09/16/502050916.db2.gz IUFIUAGZPPHRBX-KUHUBIRLSA-N 0 3 362.426 3.159 20 5 FGBDHN COc1cc(CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000464681499 502063069 /nfs/dbraw/zinc/06/30/69/502063069.db2.gz FCECDTCUFXHEDR-KPZWWZAWSA-N 0 3 354.422 3.409 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000475120571 502067249 /nfs/dbraw/zinc/06/72/49/502067249.db2.gz GEMHJUYHUCOUKQ-UHFFFAOYSA-N 0 3 364.442 3.405 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000468478808 502073606 /nfs/dbraw/zinc/07/36/06/502073606.db2.gz KPIFWOFXXMZBAZ-HNNXBMFYSA-N 0 3 351.472 3.167 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccnc1N1CCOCC1 ZINC000468622157 502128317 /nfs/dbraw/zinc/12/83/17/502128317.db2.gz PUNGCGJTYVSZNU-VBKFSLOCSA-N 0 3 368.437 3.020 20 5 FGBDHN CCc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000471792126 502138158 /nfs/dbraw/zinc/13/81/58/502138158.db2.gz YWHZTQLQPBHADC-SFHVURJKSA-N 0 3 355.438 3.060 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464977635 502162529 /nfs/dbraw/zinc/16/25/29/502162529.db2.gz NJONDNSICZARON-INIZCTEOSA-N 0 3 371.412 3.328 20 5 FGBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)Cc1ccccc1C ZINC000475564895 502213871 /nfs/dbraw/zinc/21/38/71/502213871.db2.gz YRHVKRKMEWLFIB-UHFFFAOYSA-N 0 3 372.421 3.477 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000475609559 502227392 /nfs/dbraw/zinc/22/73/92/502227392.db2.gz SDKDNTZTXPDBLL-UHFFFAOYSA-N 0 3 371.437 3.327 20 5 FGBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1N(C)C ZINC000461968784 502256899 /nfs/dbraw/zinc/25/68/99/502256899.db2.gz SSNXWZMFVGJHPO-ZIAGYGMSSA-N 0 3 363.405 3.404 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475711553 502261089 /nfs/dbraw/zinc/26/10/89/502261089.db2.gz CFWGWMBYUGJSFE-OAHLLOKOSA-N 0 3 364.442 3.405 20 5 FGBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338998 502320910 /nfs/dbraw/zinc/32/09/10/502320910.db2.gz AWJQAWNPUTVBHE-ZBFHGGJFSA-N 0 3 353.422 3.147 20 5 FGBDHN COc1ccc(CN2CC[C@@H]2CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000599067719 506308520 /nfs/dbraw/zinc/30/85/20/506308520.db2.gz HZFPEUXEHXHJCK-UZLBHIALSA-N 0 3 367.449 3.455 20 5 FGBDHN CC[C@H]1CN(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000487173780 502380373 /nfs/dbraw/zinc/38/03/73/502380373.db2.gz QVFZURQLFPNUIT-HNNXBMFYSA-N 0 3 359.426 3.055 20 5 FGBDHN Cn1ccnc1[C@@H](NC[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074295 506309901 /nfs/dbraw/zinc/30/99/01/506309901.db2.gz PLVGCLPPEAPULU-OALUTQOASA-N 0 3 369.469 3.024 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462503911 502467239 /nfs/dbraw/zinc/46/72/39/502467239.db2.gz RCPAPQASXUGOIX-QGZVFWFLSA-N 0 3 370.453 3.347 20 5 FGBDHN COc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000480085199 502468563 /nfs/dbraw/zinc/46/85/63/502468563.db2.gz UGVSGROUFWHOTC-CQSZACIVSA-N 0 3 371.437 3.162 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)C1CCCC1 ZINC000462604186 502504100 /nfs/dbraw/zinc/50/41/00/502504100.db2.gz CTKQBWBQKBXOKN-KRWDZBQOSA-N 0 3 361.486 3.496 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000487861138 502549980 /nfs/dbraw/zinc/54/99/80/502549980.db2.gz QUBOIGZCSJQAGN-LSDHHAIUSA-N 0 3 362.474 3.392 20 5 FGBDHN O=[N+]([O-])c1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)c(Cl)c1 ZINC000462853694 502601291 /nfs/dbraw/zinc/60/12/91/502601291.db2.gz IKPZEQALOCTCFJ-QGZVFWFLSA-N 0 3 361.829 3.427 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462877101 502611047 /nfs/dbraw/zinc/61/10/47/502611047.db2.gz MMDJANPGYULWGF-QTWIXLPOSA-N 0 3 353.422 3.287 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(C(=O)OC)c1ccccc1 ZINC000470149793 502680280 /nfs/dbraw/zinc/68/02/80/502680280.db2.gz DJRRKPVRMVVBCL-FQEVSTJZSA-N 0 3 372.421 3.214 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000470168090 502689238 /nfs/dbraw/zinc/68/92/38/502689238.db2.gz WNIBJEXLEXTNFL-LPHOPBHVSA-N 0 3 359.470 3.297 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NC(C)(C)C ZINC000504911161 502822461 /nfs/dbraw/zinc/82/24/61/502822461.db2.gz BDUAPEBDISXTSM-QWHCGFSZSA-N 0 3 353.488 3.358 20 5 FGBDHN COc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000593013358 506337005 /nfs/dbraw/zinc/33/70/05/506337005.db2.gz HZAZIMDOAMFDMW-WDEREUQCSA-N 0 3 362.304 3.290 20 5 FGBDHN COCCN(C)CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000505053139 502846227 /nfs/dbraw/zinc/84/62/27/502846227.db2.gz CBJNCMIMIOSUJL-SFHVURJKSA-N 0 3 371.437 3.034 20 5 FGBDHN COC(=O)C[C@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000513122025 502857632 /nfs/dbraw/zinc/85/76/32/502857632.db2.gz KWAPWOMUXIPLSM-IBGZPJMESA-N 0 3 360.385 3.345 20 5 FGBDHN NC(=O)c1cc(S[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596275833 506338985 /nfs/dbraw/zinc/33/89/85/506338985.db2.gz XMRVMHSYWBOOCM-MRXNPFEDSA-N 0 3 371.462 3.450 20 5 FGBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(C2CC2)C1 ZINC000513466958 502946952 /nfs/dbraw/zinc/94/69/52/502946952.db2.gz NJRJUBUURRGKTQ-KRWDZBQOSA-N 0 3 358.467 3.387 20 5 FGBDHN CN1CCN(CCCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000506051575 503036442 /nfs/dbraw/zinc/03/64/42/503036442.db2.gz LXQUGYMZXSPQQL-HXUWFJFHSA-N 0 3 354.454 3.386 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCN(C)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000514090278 503084726 /nfs/dbraw/zinc/08/47/26/503084726.db2.gz UQWWKSLMELJEPV-AWEZNQCLSA-N 0 3 359.426 3.389 20 5 FGBDHN C[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000514232455 503120399 /nfs/dbraw/zinc/12/03/99/503120399.db2.gz MBPCZQWZMHLWHU-JKSUJKDBSA-N 0 3 353.422 3.408 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000506472018 503121311 /nfs/dbraw/zinc/12/13/11/503121311.db2.gz SEZMMNQECULHTB-IBGZPJMESA-N 0 3 374.412 3.181 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000510542196 503139359 /nfs/dbraw/zinc/13/93/59/503139359.db2.gz XVXIERMDVAQYFV-UGSOOPFHSA-N 0 3 359.401 3.464 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000502543741 503221383 /nfs/dbraw/zinc/22/13/83/503221383.db2.gz CPGSFGGHIHZWTC-NJZAAPMLSA-N 0 3 371.384 3.370 20 5 FGBDHN CN(CCC(=O)N1CCc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511062237 503244578 /nfs/dbraw/zinc/24/45/78/503244578.db2.gz CWVXLNWEHQZTPZ-UHFFFAOYSA-N 0 3 353.422 3.049 20 5 FGBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000498778133 503262382 /nfs/dbraw/zinc/26/23/82/503262382.db2.gz SUFMRTOQLDKFJH-JTQLQIEISA-N 0 3 360.336 3.172 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511423218 503318993 /nfs/dbraw/zinc/31/89/93/503318993.db2.gz XNIGZSVHWBKZMK-QGZVFWFLSA-N 0 3 362.474 3.043 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCCN2CCSCC2)c2ccccc2)c1 ZINC000492195080 503357598 /nfs/dbraw/zinc/35/75/98/503357598.db2.gz IMCAGNYIBSQDOW-LJQANCHMSA-N 0 3 357.479 3.323 20 5 FGBDHN CCOc1cc(CN[C@@]2(C)CCCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492581465 503375196 /nfs/dbraw/zinc/37/51/96/503375196.db2.gz HYEPKRHGFLTFEL-KDOFPFPSSA-N 0 3 350.415 3.205 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000508092940 503429024 /nfs/dbraw/zinc/42/90/24/503429024.db2.gz BYPDEDZLMDENPM-UHFFFAOYSA-N 0 3 373.375 3.465 20 5 FGBDHN O=[N+]([O-])c1cccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC000593068967 506372731 /nfs/dbraw/zinc/37/27/31/506372731.db2.gz QETSDVOAWBBPLT-SFTDATJTSA-N 0 3 367.449 3.070 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000499745099 503472074 /nfs/dbraw/zinc/47/20/74/503472074.db2.gz WEZIYEXJZKPGDY-QGZVFWFLSA-N 0 3 374.485 3.189 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)[C@H]1CCCc2ccccc21 ZINC000512369074 503529895 /nfs/dbraw/zinc/52/98/95/503529895.db2.gz UISJXUPSTWYSBZ-SFHVURJKSA-N 0 3 356.422 3.346 20 5 FGBDHN COC(=O)CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000527304576 503758562 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495423984 /nfs/dbraw/zinc/42/39/84/495423984.db2.gz GTBCMOUMECDVDN-OAHLLOKOSA-N 0 3 353.488 3.451 20 5 FGBDHN COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000130938888 495469531 /nfs/dbraw/zinc/46/95/31/495469531.db2.gz HRMPNMVTLOSYMJ-DJJJIMSYSA-N 0 3 360.410 3.305 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000143263126 495532108 /nfs/dbraw/zinc/53/21/08/495532108.db2.gz IETDIZWKPRQNGX-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2cccc(Cl)c2)CC1 ZINC000182430180 495561728 /nfs/dbraw/zinc/56/17/28/495561728.db2.gz HALURVWMGXSENF-OAHLLOKOSA-N 0 3 362.813 3.267 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393634 495574561 /nfs/dbraw/zinc/57/45/61/495574561.db2.gz QNVPZXAHKUIUKH-NVXWUHKLSA-N 0 3 365.474 3.001 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)(F)F)cc1 ZINC000182508399 495591076 /nfs/dbraw/zinc/59/10/76/495591076.db2.gz LQNSNZWBCANIRY-NSHDSACASA-N 0 3 371.315 3.006 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179473426 495604607 /nfs/dbraw/zinc/60/46/07/495604607.db2.gz PHFUCKLNIAVPKU-SJLPKXTDSA-N 0 3 354.410 3.470 20 5 FGBDHN CC[C@H](N[C@H](C)Cn1ncc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000179518487 495624762 /nfs/dbraw/zinc/62/47/62/495624762.db2.gz BKXATZHZKJIIKS-KUHUBIRLSA-N 0 3 366.421 3.434 20 5 FGBDHN CCOC(=O)C[C@@H](C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182657958 495651711 /nfs/dbraw/zinc/65/17/11/495651711.db2.gz XGTAEUJAGFPDRZ-CYBMUJFWSA-N 0 3 361.398 3.066 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971313 495672245 /nfs/dbraw/zinc/67/22/45/495672245.db2.gz WALGUMMSYJCYON-UHFFFAOYSA-N 0 3 360.385 3.408 20 5 FGBDHN CC(C)Oc1cccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000179672776 495685075 /nfs/dbraw/zinc/68/50/75/495685075.db2.gz CDWUMNBAWCFKJQ-MAUKXSAKSA-N 0 3 374.437 3.473 20 5 FGBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(OCCN(C)C)c1 ZINC000151373036 495818605 /nfs/dbraw/zinc/81/86/05/495818605.db2.gz ANXICOQLIIAYGO-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN Cc1c(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000159945248 495846236 /nfs/dbraw/zinc/84/62/36/495846236.db2.gz DYMBMIJTAYDHOS-FQEVSTJZSA-N 0 3 367.449 3.399 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186323659 495948463 /nfs/dbraw/zinc/94/84/63/495948463.db2.gz ICLYZCFZUXRLMK-CVEARBPZSA-N 0 3 369.849 3.370 20 5 FGBDHN CCCN1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000160373975 495948683 /nfs/dbraw/zinc/94/86/83/495948683.db2.gz ZAKWZSLUWSVUDB-UHFFFAOYSA-N 0 3 374.466 3.276 20 5 FGBDHN CCOc1cccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000180699003 496108723 /nfs/dbraw/zinc/10/87/23/496108723.db2.gz CTZLCKKXVKRMBA-WMLDXEAASA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000183888184 496148791 /nfs/dbraw/zinc/14/87/91/496148791.db2.gz PRPDVOBVTXBABB-HUUCEWRRSA-N 0 3 373.428 3.474 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000571844007 505826257 /nfs/dbraw/zinc/82/62/57/505826257.db2.gz WNSGPDCENIFHPE-WMZOPIPTSA-N 0 3 361.442 3.121 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000174943319 496175264 /nfs/dbraw/zinc/17/52/64/496175264.db2.gz YDODALLGANMAGH-KRWDZBQOSA-N 0 3 353.422 3.189 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccsc3)CC2)c1 ZINC000186907646 496204163 /nfs/dbraw/zinc/20/41/63/496204163.db2.gz LGNVJIXCLWZKIE-QGZVFWFLSA-N 0 3 362.451 3.276 20 5 FGBDHN CN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2(CCCCC2)C1 ZINC000175062076 496231996 /nfs/dbraw/zinc/23/19/96/496231996.db2.gz UOXKPYCKIUXYEQ-UHFFFAOYSA-N 0 3 371.441 3.095 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCc2ccccc21 ZINC000177985386 496276647 /nfs/dbraw/zinc/27/66/47/496276647.db2.gz JRYMMGSSIAKXBA-MRXNPFEDSA-N 0 3 367.449 3.485 20 5 FGBDHN COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187254121 496362799 /nfs/dbraw/zinc/36/27/99/496362799.db2.gz CCLVSGABXPTGJN-SCLBCKFNSA-N 0 3 357.410 3.025 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000181375804 496371148 /nfs/dbraw/zinc/37/11/48/496371148.db2.gz SUIDXSJOLMITRE-UKRRQHHQSA-N 0 3 363.483 3.404 20 5 FGBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181421355 496388634 /nfs/dbraw/zinc/38/86/34/496388634.db2.gz UWTCHQAXRPHZBC-LIRRHRJNSA-N 0 3 369.421 3.106 20 5 FGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000153318320 496418446 /nfs/dbraw/zinc/41/84/46/496418446.db2.gz XICDNCTVKGNPDM-AWEZNQCLSA-N 0 3 357.410 3.074 20 5 FGBDHN CC(C)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000172760488 496418928 /nfs/dbraw/zinc/41/89/28/496418928.db2.gz LRYMTIDFGFMGMZ-UHFFFAOYSA-N 0 3 367.449 3.090 20 5 FGBDHN COc1ccc(F)cc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187592462 496502919 /nfs/dbraw/zinc/50/29/19/496502919.db2.gz PWRXVSYZNQMQOH-GFCCVEGCSA-N 0 3 361.373 3.249 20 5 FGBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2cc(N)ccc2F)cc1[N+](=O)[O-] ZINC000181815433 496557002 /nfs/dbraw/zinc/55/70/02/496557002.db2.gz IEBOTMKSXORCQA-GFCCVEGCSA-N 0 3 360.389 3.304 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000181835946 496566750 /nfs/dbraw/zinc/56/67/50/496566750.db2.gz NGVIOYUUGMGSGD-YOEHRIQHSA-N 0 3 362.401 3.271 20 5 FGBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000176020080 496645389 /nfs/dbraw/zinc/64/53/89/496645389.db2.gz FUBQMLYHQTVVMY-UHFFFAOYSA-N 0 3 359.451 3.380 20 5 FGBDHN C[C@@H](C(=O)NC[C@H](C)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185133266 496675372 /nfs/dbraw/zinc/67/53/72/496675372.db2.gz FQEVDLGBQMJBPR-UONOGXRCSA-N 0 3 351.422 3.074 20 5 FGBDHN CCc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000173402266 496676030 /nfs/dbraw/zinc/67/60/30/496676030.db2.gz LZMZSTPJTUTAMD-KRWDZBQOSA-N 0 3 353.422 3.290 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176113701 496688986 /nfs/dbraw/zinc/68/89/86/496688986.db2.gz OYISWSJDMQZJQU-APWZRJJASA-N 0 3 367.449 3.307 20 5 FGBDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182196720 496703204 /nfs/dbraw/zinc/70/32/04/496703204.db2.gz GQPKTKAEBVUXQP-JSGCOSHPSA-N 0 3 366.364 3.306 20 5 FGBDHN COc1ccc([C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000182197592 496704466 /nfs/dbraw/zinc/70/44/66/496704466.db2.gz KLFNZQCFIUVINZ-OXJNMPFZSA-N 0 3 374.437 3.330 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000263908494 496761533 /nfs/dbraw/zinc/76/15/33/496761533.db2.gz LMZXTKANESJEQG-UHFFFAOYSA-N 0 3 368.437 3.282 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3CN3CCCCC3)o2)cc1 ZINC000263938936 496767861 /nfs/dbraw/zinc/76/78/61/496767861.db2.gz QSYWAOTWHGAZAG-QGZVFWFLSA-N 0 3 371.441 3.095 20 5 FGBDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469974 496773411 /nfs/dbraw/zinc/77/34/11/496773411.db2.gz UVGLCLMBSJIBID-HNNXBMFYSA-N 0 3 373.457 3.093 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H]1n1cccn1 ZINC000578123092 505867865 /nfs/dbraw/zinc/86/78/65/505867865.db2.gz NZCYXFIPHALQOB-INDMIFKZSA-N 0 3 356.426 3.177 20 5 FGBDHN O=C(N[C@H]1CCN2CCCC[C@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730476 496868451 /nfs/dbraw/zinc/86/84/51/496868451.db2.gz BHPHQBMOPPYTIP-RBUKOAKNSA-N 0 3 361.445 3.450 20 5 FGBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000248477570 497023916 /nfs/dbraw/zinc/02/39/16/497023916.db2.gz YTUVXZQRRWECIH-WBVHZDCISA-N 0 3 374.437 3.426 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248582777 497047716 /nfs/dbraw/zinc/04/77/16/497047716.db2.gz PDUXMWFNJRGOHX-BKTGTZMESA-N 0 3 371.412 3.399 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000248729773 497091533 /nfs/dbraw/zinc/09/15/33/497091533.db2.gz DCHWMYWOITZGLD-OXJNMPFZSA-N 0 3 367.449 3.164 20 5 FGBDHN CN(C)C(=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237141671 497196901 /nfs/dbraw/zinc/19/69/01/497196901.db2.gz BVMFXOOZKWGTEM-UHFFFAOYSA-N 0 3 365.817 3.466 20 5 FGBDHN CCc1noc(C2CCC(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000278825455 497233551 /nfs/dbraw/zinc/23/35/51/497233551.db2.gz ZYGLBEKVZMDAQN-UHFFFAOYSA-N 0 3 370.413 3.233 20 5 FGBDHN CN(C)CCOc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193059084 497290497 /nfs/dbraw/zinc/29/04/97/497290497.db2.gz VVAKQVZAPQGIHV-LJQANCHMSA-N 0 3 370.453 3.097 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193808535 497489362 /nfs/dbraw/zinc/48/93/62/497489362.db2.gz HVLKJLUOPQBGKY-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCNC[C@H]3c3ccncc3)o2)c1 ZINC000262023619 497494372 /nfs/dbraw/zinc/49/43/72/497494372.db2.gz NILIARPTKLRNNQ-IBGZPJMESA-N 0 3 364.405 3.396 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000194419986 497660930 /nfs/dbraw/zinc/66/09/30/497660930.db2.gz PHTCTDIJDGAKNS-UHFFFAOYSA-N 0 3 360.458 3.026 20 5 FGBDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000276961541 497700231 /nfs/dbraw/zinc/70/02/31/497700231.db2.gz MAKCUDJXADHNAI-PSOPSSQASA-N 0 3 355.822 3.122 20 5 FGBDHN COc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273006519 497783708 /nfs/dbraw/zinc/78/37/08/497783708.db2.gz BBQIOEGEDQHGJE-WBVHZDCISA-N 0 3 372.368 3.252 20 5 FGBDHN COc1ccccc1COC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292110030 497882493 /nfs/dbraw/zinc/88/24/93/497882493.db2.gz IXNXESCWSZABOR-MRXNPFEDSA-N 0 3 374.437 3.006 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCC1 ZINC000280859271 497925617 /nfs/dbraw/zinc/92/56/17/497925617.db2.gz CAZNRDNISHMOSW-ZDUSSCGKSA-N 0 3 372.512 3.022 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000301129561 497964996 /nfs/dbraw/zinc/96/49/96/497964996.db2.gz ZFGQYQALGPTEIK-IBGZPJMESA-N 0 3 368.437 3.203 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000572389140 505956946 /nfs/dbraw/zinc/95/69/46/505956946.db2.gz CMBGRONISLZNKD-OXQOHEQNSA-N 0 3 369.421 3.209 20 5 FGBDHN CNCc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581429939 505987092 /nfs/dbraw/zinc/98/70/92/505987092.db2.gz QSBBNCGDIKZQJO-UHFFFAOYSA-N 0 3 368.437 3.169 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CNCc2ccccc21 ZINC000572524322 505989396 /nfs/dbraw/zinc/98/93/96/505989396.db2.gz CYJMEWAHLNBTPK-IBGZPJMESA-N 0 3 353.422 3.219 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000301595441 498179090 /nfs/dbraw/zinc/17/90/90/498179090.db2.gz ZAFSANTXIBUWCZ-HOTGVXAUSA-N 0 3 362.474 3.014 20 5 FGBDHN Cc1c(NC(=O)CCN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590234 498208030 /nfs/dbraw/zinc/20/80/30/498208030.db2.gz PQTJFGYXYKQNKB-HKUYNNGSSA-N 0 3 373.453 3.265 20 5 FGBDHN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000301703334 498231577 /nfs/dbraw/zinc/23/15/77/498231577.db2.gz UNMIAADZSPDFQQ-WDEREUQCSA-N 0 3 357.252 3.285 20 5 FGBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC(C)(C)C1 ZINC000289713732 498259191 /nfs/dbraw/zinc/25/91/91/498259191.db2.gz IAZHXECQUWYGKN-HNNXBMFYSA-N 0 3 350.415 3.241 20 5 FGBDHN Cc1cc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821810 498279442 /nfs/dbraw/zinc/27/94/42/498279442.db2.gz KILQEHNWQPEGCH-WMLDXEAASA-N 0 3 355.442 3.279 20 5 FGBDHN CC1(C)c2ccccc2CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569763850 506010461 /nfs/dbraw/zinc/01/04/61/506010461.db2.gz LKCJDPGHSKBYNV-INIZCTEOSA-N 0 3 356.422 3.128 20 5 FGBDHN CN(C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccccc1 ZINC000301852556 498294661 /nfs/dbraw/zinc/29/46/61/498294661.db2.gz XNLNDZPOBKZHPZ-CYBMUJFWSA-N 0 3 365.231 3.467 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](n3cnc4ccccc43)C2)c1 ZINC000361189379 498357768 /nfs/dbraw/zinc/35/77/68/498357768.db2.gz HTOBQGLNBGGQBU-FXAWDEMLSA-N 0 3 366.421 3.315 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302015942 498368951 /nfs/dbraw/zinc/36/89/51/498368951.db2.gz YMTGITIOFQCDGB-CQSZACIVSA-N 0 3 366.425 3.275 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](C3CC3)[C@]3(CO)CCCO3)o2)c1 ZINC000575889683 506027522 /nfs/dbraw/zinc/02/75/22/506027522.db2.gz DNJYIAVZAGWPSO-VQTJNVASSA-N 0 3 372.421 3.265 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294146870 498603406 /nfs/dbraw/zinc/60/34/06/498603406.db2.gz NDRZDMLTHLGFIG-KRWDZBQOSA-N 0 3 351.834 3.115 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913950 498608268 /nfs/dbraw/zinc/60/82/68/498608268.db2.gz UCNVNFZATKHTIF-NHYWBVRUSA-N 0 3 371.359 3.170 20 5 FGBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912048 498608371 /nfs/dbraw/zinc/60/83/71/498608371.db2.gz TZSNGZFEWIJRKQ-FZMZJTMJSA-N 0 3 371.359 3.170 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000297999664 498632674 /nfs/dbraw/zinc/63/26/74/498632674.db2.gz ZEOBKHBSQBUGFF-DOMZBBRYSA-N 0 3 351.834 3.113 20 5 FGBDHN CC[C@@H](NCCn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000314755902 498779528 /nfs/dbraw/zinc/77/95/28/498779528.db2.gz JLUQLVWCJWJTMM-CQSZACIVSA-N 0 3 353.220 3.295 20 5 FGBDHN Cc1c(CNC[C@H](O)COc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000326180864 498841420 /nfs/dbraw/zinc/84/14/20/498841420.db2.gz JKTFOZFUMUTNMX-HNNXBMFYSA-N 0 3 350.802 3.086 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000298767370 498871606 /nfs/dbraw/zinc/87/16/06/498871606.db2.gz MTWDIYWDGJJWMI-MRXNPFEDSA-N 0 3 358.398 3.097 20 5 FGBDHN CC(=O)c1ccc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000363589794 498892697 /nfs/dbraw/zinc/89/26/97/498892697.db2.gz VNEPQNKKTXZEKU-KBRIMQKVSA-N 0 3 361.442 3.099 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135255 498920581 /nfs/dbraw/zinc/92/05/81/498920581.db2.gz LMMQDUVZOMEQBC-DNVCBOLYSA-N 0 3 370.453 3.286 20 5 FGBDHN CN(C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000579234215 506125988 /nfs/dbraw/zinc/12/59/88/506125988.db2.gz SHMXYVSSZLDHIF-UONOGXRCSA-N 0 3 359.348 3.268 20 5 FGBDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000283962085 499020902 /nfs/dbraw/zinc/02/09/02/499020902.db2.gz GDQIMPNITUZDKB-VXGBXAGGSA-N 0 3 354.410 3.108 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000582072856 506127371 /nfs/dbraw/zinc/12/73/71/506127371.db2.gz LRDWFIQXBWKDMT-DQSGYLJSSA-N 0 3 359.470 3.185 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1F ZINC000284273733 499080346 /nfs/dbraw/zinc/08/03/46/499080346.db2.gz RNOQQOLLVPOPAG-UHFFFAOYSA-N 0 3 372.400 3.084 20 5 FGBDHN CC[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000370635546 499238168 /nfs/dbraw/zinc/23/81/68/499238168.db2.gz PMJHEGUXKKMPHO-YJBOKZPZSA-N 0 3 368.437 3.013 20 5 FGBDHN C[C@H](C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202017 499273747 /nfs/dbraw/zinc/27/37/47/499273747.db2.gz PDPSSRSTERWECO-IXDGSTSKSA-N 0 3 371.412 3.051 20 5 FGBDHN Cn1ccnc1[C@H](N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666763 499352990 /nfs/dbraw/zinc/35/29/90/499352990.db2.gz WTESDMUCRRWHGI-QFBILLFUSA-N 0 3 369.469 3.024 20 5 FGBDHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc2n1 ZINC000369682964 499436100 /nfs/dbraw/zinc/43/61/00/499436100.db2.gz IKAWRJXUMPHEED-UHFFFAOYSA-N 0 3 351.410 3.485 20 5 FGBDHN CCCN1CCN(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369776954 499442518 /nfs/dbraw/zinc/44/25/18/499442518.db2.gz FOMVCGADFPGMIV-FNORWQNLSA-N 0 3 372.513 3.100 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)c2ccccc2C1 ZINC000373125269 499452762 /nfs/dbraw/zinc/45/27/62/499452762.db2.gz NCIFTAYQWTXDTG-IBGZPJMESA-N 0 3 369.421 3.171 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1ccccn1)C1CCCC1 ZINC000373281302 499461284 /nfs/dbraw/zinc/46/12/84/499461284.db2.gz QIRXEBLIPWHSFX-JXFKEZNVSA-N 0 3 371.437 3.251 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000378507676 499525582 /nfs/dbraw/zinc/52/55/82/499525582.db2.gz MFJHSBAYSFPDMN-ZSZQSSIHSA-N 0 3 358.442 3.286 20 5 FGBDHN C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1Cc1ccccc1 ZINC000379678046 499542867 /nfs/dbraw/zinc/54/28/67/499542867.db2.gz DYDWPIBCDNHOJM-HOCLYGCPSA-N 0 3 365.437 3.358 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398168297 499566630 /nfs/dbraw/zinc/56/66/30/499566630.db2.gz UEXBJTQKNDFWCT-RHSMWYFYSA-N 0 3 357.458 3.442 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000376451249 499609937 /nfs/dbraw/zinc/60/99/37/499609937.db2.gz VQLBWKVAXZATSN-KVSKMBFKSA-N 0 3 359.470 3.249 20 5 FGBDHN CCC[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376519208 499614888 /nfs/dbraw/zinc/61/48/88/499614888.db2.gz IFFOYGFMWCZYRE-QZTJIDSGSA-N 0 3 358.442 3.292 20 5 FGBDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411522915 499751086 /nfs/dbraw/zinc/75/10/86/499751086.db2.gz GLLOGJMJGXOPNW-KDOFPFPSSA-N 0 3 354.410 3.402 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CO)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560106 499809112 /nfs/dbraw/zinc/80/91/12/499809112.db2.gz AGDPAWMNOWFUBL-UONOGXRCSA-N 0 3 360.410 3.456 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411979709 499809239 /nfs/dbraw/zinc/80/92/39/499809239.db2.gz ILTQJHVBAYTGTB-SFHVURJKSA-N 0 3 353.422 3.026 20 5 FGBDHN COc1cc(CN[C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000412027491 499814302 /nfs/dbraw/zinc/81/43/02/499814302.db2.gz VMRCGCHMYZWQPG-NSHDSACASA-N 0 3 374.384 3.295 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412307833 499843501 /nfs/dbraw/zinc/84/35/01/499843501.db2.gz IFYKJKYCDNVWTN-IBGZPJMESA-N 0 3 373.497 3.498 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)CCCN2 ZINC000414974082 499850371 /nfs/dbraw/zinc/85/03/71/499850371.db2.gz CXWOPEVKPLXANB-AWEZNQCLSA-N 0 3 368.437 3.460 20 5 FGBDHN CCC[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCN1CCOC ZINC000413224573 499929257 /nfs/dbraw/zinc/92/92/57/499929257.db2.gz YSOVCIXFHXWVGF-QGZVFWFLSA-N 0 3 358.442 3.080 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC3(C2)CCCCC3)cc1 ZINC000421341991 500021122 /nfs/dbraw/zinc/02/11/22/500021122.db2.gz LKXGZDYVRFXROG-UHFFFAOYSA-N 0 3 352.456 3.071 20 5 FGBDHN Nc1c(F)c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425278886 500063271 /nfs/dbraw/zinc/06/32/71/500063271.db2.gz TXBHGIFXGVJOKZ-WMLDXEAASA-N 0 3 356.401 3.027 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418650120 500300393 /nfs/dbraw/zinc/30/03/93/500300393.db2.gz KFCAEEXPDREEIG-KRWDZBQOSA-N 0 3 370.453 3.392 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)CCCN2 ZINC000423435352 500374250 /nfs/dbraw/zinc/37/42/50/500374250.db2.gz DPYSOOUNTLGUJJ-CQSZACIVSA-N 0 3 368.437 3.460 20 5 FGBDHN Cn1cnc([N+](=O)[O-])c1N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000427420191 500391724 /nfs/dbraw/zinc/39/17/24/500391724.db2.gz JBLWCQBQHCOMJX-UHFFFAOYSA-N 0 3 363.849 3.084 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000423953875 500423954 /nfs/dbraw/zinc/42/39/54/500423954.db2.gz BIRZTVVUQQMVKP-LJQANCHMSA-N 0 3 370.453 3.166 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(CN2CCOCC2)cc1 ZINC000420968892 500543282 /nfs/dbraw/zinc/54/32/82/500543282.db2.gz XMXXHPDKGZEUAH-UHFFFAOYSA-N 0 3 369.465 3.102 20 5 FGBDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447514888 500615517 /nfs/dbraw/zinc/61/55/17/500615517.db2.gz AAQJSIOKXFSEIS-CABCVRRESA-N 0 3 360.414 3.082 20 5 FGBDHN COc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC ZINC000447533245 500618626 /nfs/dbraw/zinc/61/86/26/500618626.db2.gz XDRRCWWKGQFYSH-LSDHHAIUSA-N 0 3 360.414 3.082 20 5 FGBDHN CCN(CC)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447539214 500620275 /nfs/dbraw/zinc/62/02/75/500620275.db2.gz FXJCEQXMDOGWMV-IRXDYDNUSA-N 0 3 372.473 3.306 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCCN(Cc4cccs4)C3)[nH]c2c1 ZINC000447695235 500647443 /nfs/dbraw/zinc/64/74/43/500647443.db2.gz VYQFPCVMJLTRGZ-ZDUSSCGKSA-N 0 3 371.466 3.279 20 5 FGBDHN CCN(CC)[C@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444010941 500792277 /nfs/dbraw/zinc/79/22/77/500792277.db2.gz IGFVIIUKOUHYQR-CYBMUJFWSA-N 0 3 369.440 3.281 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434417319 500839890 /nfs/dbraw/zinc/83/98/90/500839890.db2.gz USOBFQBVKHYPGF-ZDUSSCGKSA-N 0 3 371.359 3.360 20 5 FGBDHN COc1cc(CNC[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000449480735 501013780 /nfs/dbraw/zinc/01/37/80/501013780.db2.gz ZKUJZVQTIHQDMW-ZDUSSCGKSA-N 0 3 350.415 3.051 20 5 FGBDHN COc1cc(CNC[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449494486 501017594 /nfs/dbraw/zinc/01/75/94/501017594.db2.gz NHRUODZMIOKQBA-BBRMVZONSA-N 0 3 352.431 3.153 20 5 FGBDHN COc1cc(CNC[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449494489 501017653 /nfs/dbraw/zinc/01/76/53/501017653.db2.gz NHRUODZMIOKQBA-XJKSGUPXSA-N 0 3 352.431 3.153 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449616667 501044436 /nfs/dbraw/zinc/04/44/36/501044436.db2.gz QWIIWMVEHVRMMT-DNVCBOLYSA-N 0 3 357.410 3.398 20 5 FGBDHN Cc1nc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000450365834 501101806 /nfs/dbraw/zinc/10/18/06/501101806.db2.gz QJLABERSQRYHNS-FQEVSTJZSA-N 0 3 367.453 3.186 20 5 FGBDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000436292142 501102138 /nfs/dbraw/zinc/10/21/38/501102138.db2.gz BDTRIXODFCFBFU-CFVMTHIKSA-N 0 3 350.415 3.376 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000449988284 501146566 /nfs/dbraw/zinc/14/65/66/501146566.db2.gz SBTXWZDXKJGVJS-ZYHUDNBSSA-N 0 3 359.348 3.168 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCc3nccc(Br)c3C2)cc1 ZINC000598945544 506238126 /nfs/dbraw/zinc/23/81/26/506238126.db2.gz LALORERRSDAUPB-UHFFFAOYSA-N 0 3 362.227 3.353 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCCN2C[C@H]3CC[C@@H](C2)O3)c2ccccc2)c1 ZINC000453323140 501314811 /nfs/dbraw/zinc/31/48/11/501314811.db2.gz ANWKGPOLBHPYSA-QHAWAJNXSA-N 0 3 367.449 3.137 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000451557840 501323904 /nfs/dbraw/zinc/32/39/04/501323904.db2.gz FKXRPMGOEZOVCE-PKOBYXMFSA-N 0 3 356.422 3.214 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596083295 506246748 /nfs/dbraw/zinc/24/67/48/506246748.db2.gz RMHBJSZXTDLOAN-GFCCVEGCSA-N 0 3 367.833 3.099 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)c1 ZINC000458187946 501387947 /nfs/dbraw/zinc/38/79/47/501387947.db2.gz BNVHCZCFBHJDEN-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3cc(F)ccc3F)CC2)n1 ZINC000451969483 501411156 /nfs/dbraw/zinc/41/11/56/501411156.db2.gz WNUNSGFMDWQMFR-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CCN(C)CC1 ZINC000454777488 501627841 /nfs/dbraw/zinc/62/78/41/501627841.db2.gz QVTHMSGFTYIACT-MAUKXSAKSA-N 0 3 372.469 3.134 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC1(C)C ZINC000457081314 501647209 /nfs/dbraw/zinc/64/72/09/501647209.db2.gz VKCUQNCMPTVDPU-CYBMUJFWSA-N 0 3 351.472 3.066 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000457095752 501649915 /nfs/dbraw/zinc/64/99/15/501649915.db2.gz QEGOQOWYEPHJQM-NSHDSACASA-N 0 3 359.348 3.168 20 5 FGBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000485165448 501744805 /nfs/dbraw/zinc/74/48/05/501744805.db2.gz UKWAZUJGYGNVDA-WDEREUQCSA-N 0 3 357.252 3.061 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481528406 501803646 /nfs/dbraw/zinc/80/36/46/501803646.db2.gz NBTSZORQAIURDH-OAHLLOKOSA-N 0 3 359.401 3.165 20 5 FGBDHN Cc1ccc(CCN(CCn2ccc([N+](=O)[O-])n2)Cc2ccco2)cc1 ZINC000478030101 501860141 /nfs/dbraw/zinc/86/01/41/501860141.db2.gz WXNFNZWMUITQHF-UHFFFAOYSA-N 0 3 354.410 3.438 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000596150887 506281471 /nfs/dbraw/zinc/28/14/71/506281471.db2.gz DFVKZEGKUMTFEJ-HXUWFJFHSA-N 0 3 368.437 3.188 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000596150887 506281475 /nfs/dbraw/zinc/28/14/75/506281475.db2.gz DFVKZEGKUMTFEJ-HXUWFJFHSA-N 0 3 368.437 3.188 20 5 FGBDHN COc1cc(CN2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485769990 501929387 /nfs/dbraw/zinc/92/93/87/501929387.db2.gz ZFNNDWRUXWFZIU-UHFFFAOYSA-N 0 3 355.438 3.311 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000475093131 502054264 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FGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475669926 502248426 /nfs/dbraw/zinc/24/84/26/502248426.db2.gz SVXDAKROMLDVGU-FQEVSTJZSA-N 0 3 356.422 3.173 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000462163472 502329781 /nfs/dbraw/zinc/32/97/81/502329781.db2.gz KGVZGCBMBHGADL-DNVCBOLYSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000602807404 506307397 /nfs/dbraw/zinc/30/73/97/506307397.db2.gz TUZDURIVEVCDBP-GFCCVEGCSA-N 0 3 372.404 3.084 20 5 FGBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000479799179 502381342 /nfs/dbraw/zinc/38/13/42/502381342.db2.gz ADHUHLIMRQVSHL-CQSZACIVSA-N 0 3 360.458 3.163 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccnc(N3CCCC3)c2)n1 ZINC000472607101 502399071 /nfs/dbraw/zinc/39/90/71/502399071.db2.gz FYAZVADDACCJLQ-SJORKVTESA-N 0 3 370.457 3.060 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000602830504 506318183 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ZINC000594991909 507344656 /nfs/dbraw/zinc/34/46/56/507344656.db2.gz NFEXIGBONBONJY-AWEZNQCLSA-N 0 3 350.369 3.376 20 5 FGBDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595001697 507348120 /nfs/dbraw/zinc/34/81/20/507348120.db2.gz VNXHLETVPUKHQW-MLGOLLRUSA-N 0 3 366.364 3.450 20 5 FGBDHN C[C@@H](C(=O)N[C@@H](C)CN1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598261924 507349667 /nfs/dbraw/zinc/34/96/67/507349667.db2.gz IPYKSYXUGCINSJ-UONOGXRCSA-N 0 3 351.422 3.074 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(OCCN(C)C)cc1 ZINC000595011276 507354426 /nfs/dbraw/zinc/35/44/26/507354426.db2.gz LITJEVWTOIBXOF-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000584464790 507359246 /nfs/dbraw/zinc/35/92/46/507359246.db2.gz IQQLNKUFKRPQLE-FUHWJXTLSA-N 0 3 356.422 3.310 20 5 FGBDHN COc1cc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000610717198 507362745 /nfs/dbraw/zinc/36/27/45/507362745.db2.gz AIRXAGRGKUGGSY-OAHLLOKOSA-N 0 3 359.401 3.453 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610720545 507363536 /nfs/dbraw/zinc/36/35/36/507363536.db2.gz FGABGYSRVUWTTP-QGZVFWFLSA-N 0 3 362.474 3.091 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2ccc(O)cc21 ZINC000595088633 507387030 /nfs/dbraw/zinc/38/70/30/507387030.db2.gz KNBJTQBDISQROP-SGTLLEGYSA-N 0 3 355.394 3.295 20 5 FGBDHN CCOc1ccc([C@@H](C)NCC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595104379 507395374 /nfs/dbraw/zinc/39/53/74/507395374.db2.gz PQQRRPGHBUEWNR-KUHUBIRLSA-N 0 3 366.458 3.212 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)cc2OC)cc([N+](=O)[O-])c1C ZINC000601621958 507405591 /nfs/dbraw/zinc/40/55/91/507405591.db2.gz QGCPVCOBRREHPW-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN O=C(C[C@H]1NCc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595253942 507441432 /nfs/dbraw/zinc/44/14/32/507441432.db2.gz LWDUIGXGNHQECU-GOSISDBHSA-N 0 3 351.406 3.320 20 5 FGBDHN COc1ccc(CN[C@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611039271 507491559 /nfs/dbraw/zinc/49/15/59/507491559.db2.gz LCAHMJRGRSNAFC-INIZCTEOSA-N 0 3 358.394 3.061 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000611185431 507551941 /nfs/dbraw/zinc/55/19/41/507551941.db2.gz VGECEDFTBPAMDH-MRXNPFEDSA-N 0 3 366.421 3.117 20 5 FGBDHN Cc1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000611197659 507558152 /nfs/dbraw/zinc/55/81/52/507558152.db2.gz VZGNSLMZEUTTOM-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000611252148 507582543 /nfs/dbraw/zinc/58/25/43/507582543.db2.gz XCBLQVUFLUONMT-MRXNPFEDSA-N 0 3 353.422 3.283 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN(C[C@H]1CCCO1)C1CCCC1)OCCO2 ZINC000611274145 507598081 /nfs/dbraw/zinc/59/80/81/507598081.db2.gz VXWKQOIQNAQUEO-MRXNPFEDSA-N 0 3 362.426 3.290 20 5 FGBDHN CC(C)(CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@]1(O)CCOC1 ZINC000592375588 507625745 /nfs/dbraw/zinc/62/57/45/507625745.db2.gz VAXMYQZGILJUFQ-IBGZPJMESA-N 0 3 360.410 3.122 20 5 FGBDHN O=C(CCN1CC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595830161 507705240 /nfs/dbraw/zinc/70/52/40/507705240.db2.gz CPTNCAXPXHFNSL-MRXNPFEDSA-N 0 3 355.394 3.077 20 5 FGBDHN Cc1nccn1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602517085 507735136 /nfs/dbraw/zinc/73/51/36/507735136.db2.gz BRIVHEWGKVLHFC-UHFFFAOYSA-N 0 3 359.249 3.104 20 5 FGBDHN COc1ccc([C@H](NCCn2c(C)ncc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000611565581 507741987 /nfs/dbraw/zinc/74/19/87/507741987.db2.gz HPTROPQRMRUMGU-HXUWFJFHSA-N 0 3 366.421 3.488 20 5 FGBDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000181959535 568270175 /nfs/dbraw/zinc/27/01/75/568270175.db2.gz BMMCOTLXHUPGKE-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110356916 700540785 /nfs/dbraw/zinc/54/07/85/700540785.db2.gz IUYAOZFMWSXJDL-ZDUSSCGKSA-N 0 3 361.829 3.499 20 5 FGBDHN CN(C)CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000523663645 714245951 /nfs/dbraw/zinc/24/59/51/714245951.db2.gz FAQSMIMHRFQPAW-UHFFFAOYSA-N 0 3 351.472 3.020 20 5 FGBDHN CC[S@](=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000733899949 722502019 /nfs/dbraw/zinc/50/20/19/722502019.db2.gz GPQHLBLDSQBJIW-VWLOTQADSA-N 0 3 361.467 3.221 20 5 FGBDHN CCOC(=O)C1(CNCc2cc([N+](=O)[O-])ccc2OCC)CCCC1 ZINC000792194459 723320508 /nfs/dbraw/zinc/32/05/08/723320508.db2.gz DAHINKBAQRIINW-UHFFFAOYSA-N 0 3 350.415 3.207 20 5 FGBDHN CN1CCN(CCC(C)(C)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000770226586 723709152 /nfs/dbraw/zinc/70/91/52/723709152.db2.gz DEBWSCQXMVQVFC-UHFFFAOYSA-N 0 3 363.487 3.033 20 5 FGBDHN O=C(CN1CCC[C@@H]1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777739394 724254205 /nfs/dbraw/zinc/25/42/05/724254205.db2.gz HHVJYMCBGXLMRG-OAHLLOKOSA-N 0 3 367.833 3.078 20 5 FGBDHN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103106 726839475 /nfs/dbraw/zinc/83/94/75/726839475.db2.gz NSZBNOUXYWZYCS-SNVBAGLBSA-N 0 3 366.370 3.270 20 5 FGBDHN CC(COC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)[N+](=O)[O-] ZINC000813115065 726840204 /nfs/dbraw/zinc/84/02/04/726840204.db2.gz JZEDSNDVNRVSTI-BZNIZROVSA-N 0 3 351.305 3.293 20 5 FGBDHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110647 726840433 /nfs/dbraw/zinc/84/04/33/726840433.db2.gz GKCOQBZSIWICEN-NSHDSACASA-N 0 3 351.790 3.024 20 5 FGBDHN CCCCN(Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCc2ncsc2C1 ZINC000842646032 730524297 /nfs/dbraw/zinc/52/42/97/730524297.db2.gz FARJJDKASFWSFY-AWEZNQCLSA-N 0 3 363.487 3.482 20 5 FGBDHN CC([C@H](OC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875879 730905190 /nfs/dbraw/zinc/90/51/90/730905190.db2.gz DVKQCQHZAGAEBO-SUNKGSAMSA-N 0 3 355.362 3.053 20 5 FGBDHN CC(=O)[C@@H]1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1(C)C ZINC000845877487 730905496 /nfs/dbraw/zinc/90/54/96/730905496.db2.gz PXSRNNGVBNWGBI-BWPSIRRCSA-N 0 3 351.374 3.327 20 5 FGBDHN Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879407 730905726 /nfs/dbraw/zinc/90/57/26/730905726.db2.gz XDQISCGYVJCUQQ-YRXQGLPXSA-N 0 3 350.346 3.484 20 5 FGBDHN Cc1ncsc1CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884046 730906088 /nfs/dbraw/zinc/90/60/88/730906088.db2.gz WVUWISWYKHEKQF-BZNIZROVSA-N 0 3 352.387 3.473 20 5 FGBDHN CC([C@H](OC(=O)[C@H]1C[C@]1(C)Br)c1ccccc1F)[N+](=O)[O-] ZINC000860854619 732584483 /nfs/dbraw/zinc/58/44/83/732584483.db2.gz DZWAZFXBJCDXIL-IEQKNQBQSA-N 0 3 360.179 3.249 20 5 FGBDHN O=C(Oc1cc(Br)ccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000861180032 732637142 /nfs/dbraw/zinc/63/71/42/732637142.db2.gz UUQNGXUSVDWMHQ-UHFFFAOYSA-N 0 3 369.215 3.137 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000862630373 732858571 /nfs/dbraw/zinc/85/85/71/732858571.db2.gz XFDMKTMQNKMKBE-ZDUSSCGKSA-N 0 3 351.834 3.385 20 5 FGBDHN COc1cc(CNCCSCCC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000865788721 733270819 /nfs/dbraw/zinc/27/08/19/733270819.db2.gz YBMHYEVNPCEXDD-UHFFFAOYSA-N 0 3 354.350 3.084 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874834935 735937222 /nfs/dbraw/zinc/93/72/22/735937222.db2.gz VXNUYMDVAZLOHY-CVEARBPZSA-N 0 3 363.483 3.404 20 5 FGBDHN COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CCCOC1 ZINC000886791204 739300713 /nfs/dbraw/zinc/30/07/13/739300713.db2.gz ZRYNZUSJQAQQLC-IOASZLSFSA-N 0 3 354.472 3.409 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)CS(C)(=O)=O ZINC000926950344 759855312 /nfs/dbraw/zinc/85/53/12/759855312.db2.gz ODDGMZDWFFCVKV-NSHDSACASA-N 0 3 360.501 3.038 20 5 FGBDHN Cc1cccc(NC(=O)[C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054205539 205198855 /nfs/dbraw/zinc/19/88/55/205198855.db2.gz OXUZRHSHVWOVHJ-QGZVFWFLSA-N 0 3 368.437 3.191 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000054321895 205200143 /nfs/dbraw/zinc/20/01/43/205200143.db2.gz OHIMZMDBEBFJSB-UHFFFAOYSA-N 0 3 363.458 3.369 20 5 FGBDHN COC(=O)COc1ccc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000573588959 505573016 /nfs/dbraw/zinc/57/30/16/505573016.db2.gz SOAYOGUASWCRJP-CABCVRRESA-N 0 3 362.426 3.157 20 5 FGBDHN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000570827976 505589845 /nfs/dbraw/zinc/58/98/45/505589845.db2.gz ZBGJLSNEXAATMN-INIZCTEOSA-N 0 3 370.453 3.143 20 5 FGBDHN Cc1cc(C(C)(C)NCCn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000584867836 507547264 /nfs/dbraw/zinc/54/72/64/507547264.db2.gz MGGIOMPMSCUVLR-UHFFFAOYSA-N 0 3 367.247 3.387 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccn1C ZINC000068370419 493805899 /nfs/dbraw/zinc/80/58/99/493805899.db2.gz DCVBUSZJPBGZHE-QGZVFWFLSA-N 0 3 372.425 3.108 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000068386065 493809015 /nfs/dbraw/zinc/80/90/15/493809015.db2.gz PVROLZJHZWQSKP-OAHLLOKOSA-N 0 3 371.437 3.219 20 5 FGBDHN CC(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000029197801 493825348 /nfs/dbraw/zinc/82/53/48/493825348.db2.gz WUSKNRPYMDGVQL-IBGZPJMESA-N 0 3 371.393 3.249 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081127571 493838037 /nfs/dbraw/zinc/83/80/37/493838037.db2.gz LSHDSKNQBJYCRJ-MRXNPFEDSA-N 0 3 357.385 3.080 20 5 FGBDHN COc1cccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)c1 ZINC000029848057 493861740 /nfs/dbraw/zinc/86/17/40/493861740.db2.gz JAHQUNDIKFJKAY-ZDUSSCGKSA-N 0 3 361.427 3.027 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)CC12CCCCC2 ZINC000081598052 493926849 /nfs/dbraw/zinc/92/68/49/493926849.db2.gz KOVWCLVQNMRHFC-UHFFFAOYSA-N 0 3 374.485 3.182 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000062229696 494006490 /nfs/dbraw/zinc/00/64/90/494006490.db2.gz HABKHEWWFYMTCO-MRXNPFEDSA-N 0 3 371.412 3.376 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000069833331 494020822 /nfs/dbraw/zinc/02/08/22/494020822.db2.gz HOEQPDLXNYEZDT-CALCHBBNSA-N 0 3 369.465 3.494 20 5 FGBDHN CC(C)(C)CC(C)(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053123604 494096101 /nfs/dbraw/zinc/09/61/01/494096101.db2.gz BBXDUBCYEMOITG-UHFFFAOYSA-N 0 3 351.403 3.066 20 5 FGBDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077524088 494104235 /nfs/dbraw/zinc/10/42/35/494104235.db2.gz XISOZFYPFZVJHZ-HNNXBMFYSA-N 0 3 360.458 3.117 20 5 FGBDHN CC(C)N(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350608 494116178 /nfs/dbraw/zinc/11/61/78/494116178.db2.gz HYCGPYXKDCRWHP-UHFFFAOYSA-N 0 3 366.421 3.284 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(F)cc1 ZINC000041888298 494185573 /nfs/dbraw/zinc/18/55/73/494185573.db2.gz PRGSQTHPJSEYGX-UHFFFAOYSA-N 0 3 361.373 3.203 20 5 FGBDHN COCCN(C)CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000078659625 494338790 /nfs/dbraw/zinc/33/87/90/494338790.db2.gz VFCQFXRMFBXGNY-KRWDZBQOSA-N 0 3 358.442 3.420 20 5 FGBDHN Cc1ccc([C@H](C)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000090937968 494504379 /nfs/dbraw/zinc/50/43/79/494504379.db2.gz DAMHQMIYFKYULW-GJZGRUSLSA-N 0 3 366.421 3.352 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000056527593 494520444 /nfs/dbraw/zinc/52/04/44/494520444.db2.gz HRVJRCAYCGBUQK-UHFFFAOYSA-N 0 3 364.446 3.189 20 5 FGBDHN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000574233599 505726511 /nfs/dbraw/zinc/72/65/11/505726511.db2.gz ZWHOIUSCGBNUOR-QAPCUYQASA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1cccnc1)C1CC1 ZINC000577441710 505727655 /nfs/dbraw/zinc/72/76/55/505727655.db2.gz LFTYAABBYMCNQV-LJQANCHMSA-N 0 3 354.410 3.368 20 5 FGBDHN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000080055538 494578182 /nfs/dbraw/zinc/57/81/82/494578182.db2.gz CSRBNRFAAQPVIN-GOSISDBHSA-N 0 3 370.453 3.432 20 5 FGBDHN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000023738747 494578385 /nfs/dbraw/zinc/57/83/85/494578385.db2.gz ZHJNPOCODFHXPX-SFHVURJKSA-N 0 3 369.421 3.170 20 5 FGBDHN C[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056889031 494584876 /nfs/dbraw/zinc/58/48/76/494584876.db2.gz YLIGGWSZHCXPPI-HNNXBMFYSA-N 0 3 362.474 3.419 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000131689186 494701621 /nfs/dbraw/zinc/70/16/21/494701621.db2.gz BLYIDARKSCDXMZ-CXAGYDPISA-N 0 3 374.466 3.051 20 5 FGBDHN CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000025535826 494754597 /nfs/dbraw/zinc/75/45/97/494754597.db2.gz MVHKMRKIJRYNLQ-FQEVSTJZSA-N 0 3 367.449 3.408 20 5 FGBDHN COc1cccc(CN(C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000026221973 494811321 /nfs/dbraw/zinc/81/13/21/494811321.db2.gz UXNHFFKAIYMYSR-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000109012937 494821019 /nfs/dbraw/zinc/82/10/19/494821019.db2.gz BLSHRMMQLZVGFH-CQSZACIVSA-N 0 3 371.437 3.155 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121903841 494885754 /nfs/dbraw/zinc/88/57/54/494885754.db2.gz OTWSDAPHQLZZCB-QGZVFWFLSA-N 0 3 360.458 3.143 20 5 FGBDHN CC1CCN(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000132783270 494924161 /nfs/dbraw/zinc/92/41/61/494924161.db2.gz GEQQHVRJHWMLBZ-UHFFFAOYSA-N 0 3 360.458 3.001 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110355675 494972396 /nfs/dbraw/zinc/97/23/96/494972396.db2.gz PBURHESLSDZRBZ-OAHLLOKOSA-N 0 3 371.437 3.244 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133541693 495026407 /nfs/dbraw/zinc/02/64/07/495026407.db2.gz LUYNBTVJKHLGBN-IRXDYDNUSA-N 0 3 369.421 3.468 20 5 FGBDHN COc1ccc(-c2ccc(CNCC[C@H](C)[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000133676255 495045136 /nfs/dbraw/zinc/04/51/36/495045136.db2.gz WMTPSXHDKCJTGY-VDBVYFBLSA-N 0 3 366.439 3.110 20 5 FGBDHN CN(Cc1ccccc1)C(=O)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119076297 495087340 /nfs/dbraw/zinc/08/73/40/495087340.db2.gz JCGNRHFDMTWCON-IBGZPJMESA-N 0 3 367.449 3.164 20 5 FGBDHN Cc1c(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000123212623 495097459 /nfs/dbraw/zinc/09/74/59/495097459.db2.gz PGEGFKFZEKJIGY-LJQANCHMSA-N 0 3 367.449 3.227 20 5 FGBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000123228298 495099733 /nfs/dbraw/zinc/09/97/33/495099733.db2.gz PRDTWDADQFEGSK-GFCCVEGCSA-N 0 3 366.414 3.031 20 5 FGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000128579919 495119440 /nfs/dbraw/zinc/11/94/40/495119440.db2.gz MZJMBAKLRIWFEI-UHFFFAOYSA-N 0 3 354.410 3.334 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)COCC2CC2)s1 ZINC000102425901 495136298 /nfs/dbraw/zinc/13/62/98/495136298.db2.gz SOHDZWDELWPINS-AWEZNQCLSA-N 0 3 362.451 3.200 20 5 FGBDHN CCC[C@H](NCc1cccc(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000128869044 495162106 /nfs/dbraw/zinc/16/21/06/495162106.db2.gz SRSZKOFTZQQINE-SFHVURJKSA-N 0 3 357.410 3.090 20 5 FGBDHN COc1cc(CN[C@H](C)CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000119621554 495203917 /nfs/dbraw/zinc/20/39/17/495203917.db2.gz IYMIVUHQLFFTOF-CQSZACIVSA-N 0 3 360.410 3.043 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000135045728 495243128 /nfs/dbraw/zinc/24/31/28/495243128.db2.gz BEUCVSJSBYNHSG-ZBFHGGJFSA-N 0 3 357.410 3.170 20 5 FGBDHN COc1ccc([C@@H](CO)N(C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000112996057 495265051 /nfs/dbraw/zinc/26/50/51/495265051.db2.gz WQPCVBCEZDBHKR-LJQANCHMSA-N 0 3 360.410 3.038 20 5 FGBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC000574433132 505771978 /nfs/dbraw/zinc/77/19/78/505771978.db2.gz HRDMXMQKERIBNP-SFHVURJKSA-N 0 3 358.442 3.154 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000136030558 495351407 /nfs/dbraw/zinc/35/14/07/495351407.db2.gz XUDFXPIRGJHIST-ZDUSSCGKSA-N 0 3 351.472 3.169 20 5 FGBDHN COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000124986739 495374449 /nfs/dbraw/zinc/37/44/49/495374449.db2.gz LLWLHICMVFWKIC-SCLBCKFNSA-N 0 3 360.410 3.305 20 5 FGBDHN Cc1cccc([C@H](O)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000136470644 495382077 /nfs/dbraw/zinc/38/20/77/495382077.db2.gz YIQCCUYAMAVSDO-LJQANCHMSA-N 0 3 366.421 3.127 20 5 FGBDHN COc1ccc(-c2ccc(CNC[C@@](C)(O)CSC)o2)c([N+](=O)[O-])c1 ZINC000120634399 495423170 /nfs/dbraw/zinc/42/31/70/495423170.db2.gz ODNGMKDOYKKRKS-QGZVFWFLSA-N 0 3 366.439 3.067 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114784503 495424788 /nfs/dbraw/zinc/42/47/88/495424788.db2.gz HEBDMUVQJLJYHA-IBGZPJMESA-N 0 3 368.437 3.059 20 5 FGBDHN CC(C)Oc1cccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000120654414 495427672 /nfs/dbraw/zinc/42/76/72/495427672.db2.gz MBQSLQIYAHYJBB-SFHVURJKSA-N 0 3 374.437 3.254 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccncc1 ZINC000125353270 495431002 /nfs/dbraw/zinc/43/10/02/495431002.db2.gz VNHHVYPNRYUUPL-SFHVURJKSA-N 0 3 354.410 3.464 20 5 FGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000125875035 495511762 /nfs/dbraw/zinc/51/17/62/495511762.db2.gz LCCWMLKGQRPENS-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccc(F)c1 ZINC000170639259 495541755 /nfs/dbraw/zinc/54/17/55/495541755.db2.gz RGJMFQBARVNHOO-SFHVURJKSA-N 0 3 372.400 3.333 20 5 FGBDHN CC(C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182439049 495563251 /nfs/dbraw/zinc/56/32/51/495563251.db2.gz BCLPYRFUILHRPY-ZDUSSCGKSA-N 0 3 366.364 3.138 20 5 FGBDHN CC(C)Oc1ccc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000179527662 495629545 /nfs/dbraw/zinc/62/95/45/495629545.db2.gz BRRDONUOPNUSHO-CRAIPNDOSA-N 0 3 374.437 3.473 20 5 FGBDHN CCN1CCC(N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000577797375 505794306 /nfs/dbraw/zinc/79/43/06/505794306.db2.gz WHUPQDPAZLAYHW-UHFFFAOYSA-N 0 3 371.890 3.283 20 5 FGBDHN C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000176422069 495646125 /nfs/dbraw/zinc/64/61/25/495646125.db2.gz HILYKVCUJGLRPR-RHSMWYFYSA-N 0 3 361.467 3.380 20 5 FGBDHN Cc1cccc(C(C)(C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000179586186 495651346 /nfs/dbraw/zinc/65/13/46/495651346.db2.gz AKVWOXACTWVDBK-UHFFFAOYSA-N 0 3 353.422 3.317 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000176527090 495685107 /nfs/dbraw/zinc/68/51/07/495685107.db2.gz UODKTTKNGRATKY-CRAIPNDOSA-N 0 3 368.437 3.057 20 5 FGBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173965641 495768275 /nfs/dbraw/zinc/76/82/75/495768275.db2.gz NVDQZXKDJNJOED-CQSZACIVSA-N 0 3 373.375 3.218 20 5 FGBDHN C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC(C)CC1 ZINC000151200986 495770247 /nfs/dbraw/zinc/77/02/47/495770247.db2.gz DJNFXGVAUSZHKS-MRXNPFEDSA-N 0 3 374.485 3.389 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCCC2)c1 ZINC000186244633 495911755 /nfs/dbraw/zinc/91/17/55/495911755.db2.gz HTQPJPULYCCOJQ-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN COc1cc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000151693745 495921903 /nfs/dbraw/zinc/92/19/03/495921903.db2.gz YGKPFSNCUBNZES-KBPBESRZSA-N 0 3 360.410 3.386 20 5 FGBDHN Cn1cc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cn1 ZINC000180449460 495999672 /nfs/dbraw/zinc/99/96/72/495999672.db2.gz WOBHWZOSOXCCOB-LJQANCHMSA-N 0 3 354.385 3.389 20 5 FGBDHN Cc1cc(C)cc([C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000183490805 496006632 /nfs/dbraw/zinc/00/66/32/496006632.db2.gz WLQLFIGCZOTTJC-INIZCTEOSA-N 0 3 353.422 3.300 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183566103 496033253 /nfs/dbraw/zinc/03/32/53/496033253.db2.gz ODQIQXMBQJUYGI-UHFFFAOYSA-N 0 3 357.414 3.105 20 5 FGBDHN CSc1cccc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000186606489 496069647 /nfs/dbraw/zinc/06/96/47/496069647.db2.gz QKLGFRMWLOKSIT-CQSZACIVSA-N 0 3 363.483 3.311 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2cc(F)ccc2C1 ZINC000580726041 505823619 /nfs/dbraw/zinc/82/36/19/505823619.db2.gz IJPBEORGMVQLGX-BLLLJJGKSA-N 0 3 373.384 3.044 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCCCO[C@H]2CCOC2)c2ccccc2)c1 ZINC000180754780 496133080 /nfs/dbraw/zinc/13/30/80/496133080.db2.gz MPEZXBKELFOIHX-PMACEKPBSA-N 0 3 356.422 3.469 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177819164 496209203 /nfs/dbraw/zinc/20/92/03/496209203.db2.gz ZMXZEXXBWBVZEL-FMKPAKJESA-N 0 3 363.483 3.161 20 5 FGBDHN CCOc1ccc([C@H](C)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000152694531 496228878 /nfs/dbraw/zinc/22/88/78/496228878.db2.gz DXEIXFQEXUOTKG-XHSDSOJGSA-N 0 3 365.474 3.143 20 5 FGBDHN CCOc1cccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000184141710 496256022 /nfs/dbraw/zinc/25/60/22/496256022.db2.gz GILZROMUUHRSBQ-DLBZAZTESA-N 0 3 371.437 3.041 20 5 FGBDHN O=C(CN[C@@H](CCO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181512351 496426366 /nfs/dbraw/zinc/42/63/66/496426366.db2.gz YGFCZINHCGGCNG-HNNXBMFYSA-N 0 3 369.849 3.108 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000580829029 505847644 /nfs/dbraw/zinc/84/76/44/505847644.db2.gz WFKKHFLVZQHRHX-OAHLLOKOSA-N 0 3 354.328 3.307 20 5 FGBDHN C[C@@H](NCCCN1C(=O)COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178658988 496531554 /nfs/dbraw/zinc/53/15/54/496531554.db2.gz OGQDSIZIHDNWAO-CQSZACIVSA-N 0 3 355.394 3.061 20 5 FGBDHN C[C@]1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000157699095 496532750 /nfs/dbraw/zinc/53/27/50/496532750.db2.gz JWNLCGDSGKRDAV-LJQANCHMSA-N 0 3 369.425 3.166 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000181835926 496565916 /nfs/dbraw/zinc/56/59/16/496565916.db2.gz NGVIOYUUGMGSGD-PBHICJAKSA-N 0 3 362.401 3.271 20 5 FGBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1Cl ZINC000574772109 505852558 /nfs/dbraw/zinc/85/25/58/505852558.db2.gz ZAFDQLCGLCCAMG-MRXNPFEDSA-N 0 3 359.813 3.255 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000175864775 496578572 /nfs/dbraw/zinc/57/85/72/496578572.db2.gz OSMZOAGEQYJQPV-HUUCEWRRSA-N 0 3 364.471 3.221 20 5 FGBDHN COc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000153810085 496588072 /nfs/dbraw/zinc/58/80/72/496588072.db2.gz NUNFLYZZEMIQHN-QGZVFWFLSA-N 0 3 369.421 3.170 20 5 FGBDHN C[C@@H](C(=O)NCc1cccc(CN(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000184953285 496598266 /nfs/dbraw/zinc/59/82/66/496598266.db2.gz KKQQPMIXNGRNOB-CYBMUJFWSA-N 0 3 359.401 3.215 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000173265658 496617437 /nfs/dbraw/zinc/61/74/37/496617437.db2.gz WMCWSQQLSUGXGN-CQSZACIVSA-N 0 3 363.483 3.311 20 5 FGBDHN C[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173357348 496657806 /nfs/dbraw/zinc/65/78/06/496657806.db2.gz CSWDFUVJPGGRHK-MGPUTAFESA-N 0 3 373.428 3.458 20 5 FGBDHN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000185133250 496674978 /nfs/dbraw/zinc/67/49/78/496674978.db2.gz FQEVDLGBQMJBPR-KGLIPLIRSA-N 0 3 351.422 3.074 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000188080771 496675857 /nfs/dbraw/zinc/67/58/57/496675857.db2.gz KADRFITUYWUUHB-HZSPNIEDSA-N 0 3 365.499 3.413 20 5 FGBDHN C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000173430979 496690424 /nfs/dbraw/zinc/69/04/24/496690424.db2.gz RFXPWQQFSFAQKW-SNVBAGLBSA-N 0 3 355.320 3.166 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185194710 496700008 /nfs/dbraw/zinc/70/00/08/496700008.db2.gz RCSNSOAWVUMZGZ-IAGOWNOFSA-N 0 3 350.415 3.145 20 5 FGBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000182280508 496725673 /nfs/dbraw/zinc/72/56/73/496725673.db2.gz NHUIEPHRHIZNNN-GFCCVEGCSA-N 0 3 357.366 3.003 20 5 FGBDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194866716 496740992 /nfs/dbraw/zinc/74/09/92/496740992.db2.gz YUPMOGQYHLTDAC-SFHVURJKSA-N 0 3 350.415 3.015 20 5 FGBDHN CCOC(=O)c1csc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000191556754 496810361 /nfs/dbraw/zinc/81/03/61/496810361.db2.gz LXROMYBMBGGJCP-GFCCVEGCSA-N 0 3 363.439 3.430 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247258596 496817911 /nfs/dbraw/zinc/81/79/11/496817911.db2.gz VCOSBZFOIDHARD-WMLDXEAASA-N 0 3 368.437 3.081 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000273508162 496826216 /nfs/dbraw/zinc/82/62/16/496826216.db2.gz KXDNJKPEAJPGOG-GFCCVEGCSA-N 0 3 368.865 3.120 20 5 FGBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277603783 496826948 /nfs/dbraw/zinc/82/69/48/496826948.db2.gz AAFACDLGYGXKTQ-AWEZNQCLSA-N 0 3 361.445 3.308 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H](N2CCCC2)C1 ZINC000264432159 496899864 /nfs/dbraw/zinc/89/98/64/496899864.db2.gz LAAMTSWRIXTKCT-MRXNPFEDSA-N 0 3 357.410 3.432 20 5 FGBDHN COc1cnccc1[C@@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188781512 496907090 /nfs/dbraw/zinc/90/70/90/496907090.db2.gz SYBQISRTBJOKFE-CHWSQXEVSA-N 0 3 358.398 3.066 20 5 FGBDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000191849490 496909683 /nfs/dbraw/zinc/90/96/83/496909683.db2.gz UQVVZCFIXLXBSI-ZDUSSCGKSA-N 0 3 370.247 3.464 20 5 FGBDHN O=[N+]([O-])c1cnc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)s1 ZINC000195510797 496946860 /nfs/dbraw/zinc/94/68/60/496946860.db2.gz VDSIZPBFLINTIR-UHFFFAOYSA-N 0 3 359.455 3.327 20 5 FGBDHN CNC(=O)C1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000264948900 497017879 /nfs/dbraw/zinc/01/78/79/497017879.db2.gz JXWXWILKWGGYMP-UHFFFAOYSA-N 0 3 374.466 3.113 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000192692626 497185520 /nfs/dbraw/zinc/18/55/20/497185520.db2.gz HHXZUTRGBUVWLC-CRAIPNDOSA-N 0 3 353.426 3.021 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(N2CCN(CC)CC2)c1 ZINC000192779217 497212106 /nfs/dbraw/zinc/21/21/06/497212106.db2.gz NRABJUWQHDVISR-UHFFFAOYSA-N 0 3 358.446 3.005 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C1CCN(C2CC2)CC1 ZINC000192792827 497216379 /nfs/dbraw/zinc/21/63/79/497216379.db2.gz TYNZNIVOQCWAMR-UHFFFAOYSA-N 0 3 368.231 3.170 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000252221363 497297740 /nfs/dbraw/zinc/29/77/40/497297740.db2.gz ZCYKOIBXSWTMGJ-JKSUJKDBSA-N 0 3 374.485 3.045 20 5 FGBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275391178 497311005 /nfs/dbraw/zinc/31/10/05/497311005.db2.gz AIOHWESYUOPIJJ-CQSZACIVSA-N 0 3 361.445 3.308 20 5 FGBDHN Cc1cccc(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000275414642 497319063 /nfs/dbraw/zinc/31/90/63/497319063.db2.gz GOKHKOISSSLMGO-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN COc1cc(CNC[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000280034192 497626094 /nfs/dbraw/zinc/62/60/94/497626094.db2.gz YNDSQQGHIHPVFY-SNVBAGLBSA-N 0 3 362.398 3.090 20 5 FGBDHN CC(C)CCOC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194339855 497639033 /nfs/dbraw/zinc/63/90/33/497639033.db2.gz HCAZVCWHFUYLRO-UHFFFAOYSA-N 0 3 363.458 3.451 20 5 FGBDHN CC(C)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272558255 497663318 /nfs/dbraw/zinc/66/33/18/497663318.db2.gz SNYPXRRRHNKUGQ-MOPGFXCFSA-N 0 3 371.485 3.128 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000246254040 497676144 /nfs/dbraw/zinc/67/61/44/497676144.db2.gz XKEFVEOIKYLWST-RYUDHWBXSA-N 0 3 373.375 3.464 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000581169664 505925883 /nfs/dbraw/zinc/92/58/83/505925883.db2.gz GOINNPJWQGMJQI-INIZCTEOSA-N 0 3 354.410 3.116 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194775657 497766702 /nfs/dbraw/zinc/76/67/02/497766702.db2.gz RBFPILFEGKVFCK-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2cc(F)ccc2C1 ZINC000575138485 505928975 /nfs/dbraw/zinc/92/89/75/505928975.db2.gz CGDASJQLHGCXHF-LRDDRELGSA-N 0 3 373.384 3.044 20 5 FGBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000246729498 497805146 /nfs/dbraw/zinc/80/51/46/497805146.db2.gz MBDRFMGYEJVJKI-KBXCAEBGSA-N 0 3 353.422 3.319 20 5 FGBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000296260294 497974893 /nfs/dbraw/zinc/97/48/93/497974893.db2.gz LPDPFABYQRSJCI-LLVKDONJSA-N 0 3 352.822 3.196 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000301167734 497982021 /nfs/dbraw/zinc/98/20/21/497982021.db2.gz WBURUOISXHAPKQ-KRWDZBQOSA-N 0 3 372.425 3.105 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285640857 498156510 /nfs/dbraw/zinc/15/65/10/498156510.db2.gz DGFQPRKMAGFNEL-LJQANCHMSA-N 0 3 371.462 3.395 20 5 FGBDHN COc1ccc(CN[C@H](C)CCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661100 498235296 /nfs/dbraw/zinc/23/52/96/498235296.db2.gz IRFXDDNSWWDLAX-CYBMUJFWSA-N 0 3 367.446 3.386 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000285945156 498248089 /nfs/dbraw/zinc/24/80/89/498248089.db2.gz UZWQBZJHPVEKCC-DGCLKSJQSA-N 0 3 369.824 3.015 20 5 FGBDHN Cc1nnc(C2CCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH]1 ZINC000360870731 498317662 /nfs/dbraw/zinc/31/76/62/498317662.db2.gz GSXCHYCBIDGQFH-UHFFFAOYSA-N 0 3 369.347 3.420 20 5 FGBDHN COc1ccc(C[C@](C)(O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000290051142 498407810 /nfs/dbraw/zinc/40/78/10/498407810.db2.gz FBRFYCODEIDKJS-VLIAUNLRSA-N 0 3 374.437 3.256 20 5 FGBDHN COc1ccc(C[C@@](C)(O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000290051134 498408229 /nfs/dbraw/zinc/40/82/29/498408229.db2.gz FBRFYCODEIDKJS-VBKZILBWSA-N 0 3 374.437 3.256 20 5 FGBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000297346412 498414109 /nfs/dbraw/zinc/41/41/09/498414109.db2.gz OWXIWDQBRKELOS-OLZOCXBDSA-N 0 3 363.439 3.378 20 5 FGBDHN C[C@H]1CCCN(C(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000361656957 498414996 /nfs/dbraw/zinc/41/49/96/498414996.db2.gz FGYPLHWQOOCMQS-INIZCTEOSA-N 0 3 359.470 3.108 20 5 FGBDHN CN1CC[C@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293594048 498423521 /nfs/dbraw/zinc/42/35/21/498423521.db2.gz BHMALQUGLCMMCL-QFIPXVFZSA-N 0 3 361.445 3.261 20 5 FGBDHN COCCCOc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000294061951 498576609 /nfs/dbraw/zinc/57/66/09/498576609.db2.gz HHOSXKJUFSDJTC-AWEZNQCLSA-N 0 3 359.426 3.443 20 5 FGBDHN Cc1ccc([C@@H](C)NCc2ccncc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000576069271 506068563 /nfs/dbraw/zinc/06/85/63/506068563.db2.gz HAQBHAXVDMHGJD-OAHLLOKOSA-N 0 3 358.442 3.089 20 5 FGBDHN O=C(CCC(=O)N1CCC[C@@H]1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000294413285 498686367 /nfs/dbraw/zinc/68/63/67/498686367.db2.gz AUAMBAUFFLSEAT-GOSISDBHSA-N 0 3 373.453 3.035 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298221649 498700632 /nfs/dbraw/zinc/70/06/32/498700632.db2.gz GBQPIMHXMUWGAE-ZBFHGGJFSA-N 0 3 353.369 3.209 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332671581 498759566 /nfs/dbraw/zinc/75/95/66/498759566.db2.gz ZTFNOZIOWPEVLZ-OAHLLOKOSA-N 0 3 363.483 3.263 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165256 506091749 /nfs/dbraw/zinc/09/17/49/506091749.db2.gz GPCDWHJOMGSZMA-KYNGSXCRSA-N 0 3 353.422 3.260 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc3c(c2)OCCCO3)n1 ZINC000579193461 506114127 /nfs/dbraw/zinc/11/41/27/506114127.db2.gz PMZNBLHREAROJH-HOTGVXAUSA-N 0 3 372.425 3.226 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000366618384 499005763 /nfs/dbraw/zinc/00/57/63/499005763.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 0 3 370.453 3.123 20 5 FGBDHN O=[N+]([O-])c1cccc(F)c1NCc1ccccc1CN1CCC(O)CC1 ZINC000288384317 499011017 /nfs/dbraw/zinc/01/10/17/499011017.db2.gz LYEGLQGQTQUZCC-UHFFFAOYSA-N 0 3 359.401 3.303 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000295752080 499094502 /nfs/dbraw/zinc/09/45/02/499094502.db2.gz OICZMJUMQIZUNV-DOMZBBRYSA-N 0 3 351.834 3.255 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000291960148 499111469 /nfs/dbraw/zinc/11/14/69/499111469.db2.gz WKXJWQQKKQHQTC-DOTOQJQBSA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000372741169 499169106 /nfs/dbraw/zinc/16/91/06/499169106.db2.gz PCURPDIYOQJRPB-SFHVURJKSA-N 0 3 371.441 3.111 20 5 FGBDHN O=C1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C2CC2)N1 ZINC000370281275 499205299 /nfs/dbraw/zinc/20/52/99/499205299.db2.gz YUZSRGDZHZDZMX-LPHOPBHVSA-N 0 3 355.394 3.002 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccc(Cl)c1 ZINC000370524083 499228596 /nfs/dbraw/zinc/22/85/96/499228596.db2.gz RPFYDGXIKRBTDK-GUYCJALGSA-N 0 3 374.828 3.066 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368837538 499337813 /nfs/dbraw/zinc/33/78/13/499337813.db2.gz CJLQSZDTGLHBLO-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN O=C(NC1CCN(Cc2cccs2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000368859133 499340598 /nfs/dbraw/zinc/34/05/98/499340598.db2.gz FTTLCKSSBYKQFK-UHFFFAOYSA-N 0 3 363.414 3.190 20 5 FGBDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000579313545 506143319 /nfs/dbraw/zinc/14/33/19/506143319.db2.gz YPRVNAHGUABIGN-IBGZPJMESA-N 0 3 364.442 3.405 20 5 FGBDHN COc1cc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723812 499359105 /nfs/dbraw/zinc/35/91/05/499359105.db2.gz NWAJNASUXRJJFU-FOIQADDNSA-N 0 3 371.437 3.092 20 5 FGBDHN COc1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723812 499359107 /nfs/dbraw/zinc/35/91/07/499359107.db2.gz NWAJNASUXRJJFU-FOIQADDNSA-N 0 3 371.437 3.092 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000369317215 499391194 /nfs/dbraw/zinc/39/11/94/499391194.db2.gz KKDVGIACERFHKD-UHFFFAOYSA-N 0 3 371.441 3.146 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369542293 499414968 /nfs/dbraw/zinc/41/49/68/499414968.db2.gz ZUAKHZRFZPVIGY-BLLLJJGKSA-N 0 3 360.439 3.471 20 5 FGBDHN Cc1ncc(CN2CC[C@H](NCc3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369589684 499423303 /nfs/dbraw/zinc/42/33/03/499423303.db2.gz AVYIIWNNONDVMS-GUYCJALGSA-N 0 3 360.483 3.360 20 5 FGBDHN Cc1ncc(CN2CC[C@@H](NCc3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369589685 499423318 /nfs/dbraw/zinc/42/33/18/499423318.db2.gz AVYIIWNNONDVMS-SUMWQHHRSA-N 0 3 360.483 3.360 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000378507674 499525535 /nfs/dbraw/zinc/52/55/35/499525535.db2.gz MFJHSBAYSFPDMN-QOKNQOGYSA-N 0 3 358.442 3.286 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000376451250 499609913 /nfs/dbraw/zinc/60/99/13/499609913.db2.gz VQLBWKVAXZATSN-SUMDDJOVSA-N 0 3 359.470 3.249 20 5 FGBDHN COc1cc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000573267712 506157508 /nfs/dbraw/zinc/15/75/08/506157508.db2.gz QEEOLKWLOIXSKJ-QHBPRCKVSA-N 0 3 360.332 3.433 20 5 FGBDHN Cn1cc([C@H](NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000411478648 499745895 /nfs/dbraw/zinc/74/58/95/499745895.db2.gz UVRZOAGJDWZQIE-KRWDZBQOSA-N 0 3 359.430 3.034 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411550647 499753765 /nfs/dbraw/zinc/75/37/65/499753765.db2.gz KXWZEGFKYRLQRO-RBUKOAKNSA-N 0 3 369.421 3.277 20 5 FGBDHN CC(C)(CN1CCOCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414568990 499810529 /nfs/dbraw/zinc/81/05/29/499810529.db2.gz ZELOVCSMJONYPW-UHFFFAOYSA-N 0 3 359.426 3.055 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412279876 499840786 /nfs/dbraw/zinc/84/07/86/499840786.db2.gz QVHXIBQQEZTDKL-ZWKOTPCHSA-N 0 3 353.422 3.441 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412347730 499847125 /nfs/dbraw/zinc/84/71/25/499847125.db2.gz PLGGKIZGPWLWHK-GDBMZVCRSA-N 0 3 361.442 3.081 20 5 FGBDHN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000573290824 506162350 /nfs/dbraw/zinc/16/23/50/506162350.db2.gz QGPYLIVZBDIGMP-APWZRJJASA-N 0 3 351.410 3.006 20 5 FGBDHN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000573290827 506162395 /nfs/dbraw/zinc/16/23/95/506162395.db2.gz QGPYLIVZBDIGMP-VQIMIIECSA-N 0 3 351.410 3.006 20 5 FGBDHN CC(C)(C)c1ccc(NC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000415699461 499913191 /nfs/dbraw/zinc/91/31/91/499913191.db2.gz IVPXEEGOAHTNQP-ZDUSSCGKSA-N 0 3 356.373 3.011 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNCC2)c1ccc([N+](=O)[O-])cc1 ZINC000415879713 499923620 /nfs/dbraw/zinc/92/36/20/499923620.db2.gz CBMLDRZEIICLAC-UHFFFAOYSA-N 0 3 354.410 3.297 20 5 FGBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)CNCC2 ZINC000415891513 499925051 /nfs/dbraw/zinc/92/50/51/499925051.db2.gz GTTSUBJRTPMJBF-UHFFFAOYSA-N 0 3 374.828 3.258 20 5 FGBDHN COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000416345593 500022712 /nfs/dbraw/zinc/02/27/12/500022712.db2.gz XPLNFMGZIXYCMD-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN COC(=O)c1ccccc1OCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429246028 500033034 /nfs/dbraw/zinc/03/30/34/500033034.db2.gz FDNBWCBPVIXLRK-UHFFFAOYSA-N 0 3 358.394 3.285 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000421383425 500033624 /nfs/dbraw/zinc/03/36/24/500033624.db2.gz DBOVHLGGTDARHJ-INIZCTEOSA-N 0 3 362.426 3.159 20 5 FGBDHN COC(=O)c1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)oc1C ZINC000582268761 506172693 /nfs/dbraw/zinc/17/26/93/506172693.db2.gz CIKHBJYMABZGKQ-UHFFFAOYSA-N 0 3 357.366 3.096 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000421438436 500048282 /nfs/dbraw/zinc/04/82/82/500048282.db2.gz UULKUCCJYHEJLJ-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN COc1cccc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000425603631 500158119 /nfs/dbraw/zinc/15/81/19/500158119.db2.gz JDQKFOLSYLKBTD-OAHLLOKOSA-N 0 3 369.421 3.127 20 5 FGBDHN CC(C)c1ccc([C@H](N)CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000417947527 500202931 /nfs/dbraw/zinc/20/29/31/500202931.db2.gz SEDWTJBVLCRFGP-LJQANCHMSA-N 0 3 370.453 3.260 20 5 FGBDHN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(CN(C)C)c1 ZINC000430673327 500268487 /nfs/dbraw/zinc/26/84/87/500268487.db2.gz BPHZHCRRWLMEHP-UHFFFAOYSA-N 0 3 357.410 3.291 20 5 FGBDHN COCC[C@@H](COC)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000582330520 506187854 /nfs/dbraw/zinc/18/78/54/506187854.db2.gz WGDNMSTUZLCGGO-ZDUSSCGKSA-N 0 3 350.440 3.464 20 5 FGBDHN CCC[C@H](Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423229852 500356581 /nfs/dbraw/zinc/35/65/81/500356581.db2.gz HYHNWLUUKJZHPP-SFHVURJKSA-N 0 3 355.442 3.353 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000423969480 500426452 /nfs/dbraw/zinc/42/64/52/500426452.db2.gz DYKAWEQRGPYIKI-ACJLOTCBSA-N 0 3 373.478 3.454 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000423973163 500427405 /nfs/dbraw/zinc/42/74/05/500427405.db2.gz JKVPGAAMHGARJX-OAHLLOKOSA-N 0 3 359.451 3.309 20 5 FGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424110147 500455322 /nfs/dbraw/zinc/45/53/22/500455322.db2.gz CUQOVBHFWBFJKG-QFBILLFUSA-N 0 3 366.421 3.333 20 5 FGBDHN C[C@@H](NCCNC(=O)CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000424141844 500459280 /nfs/dbraw/zinc/45/92/80/500459280.db2.gz PDUHFGQQCZRWOF-MRXNPFEDSA-N 0 3 355.438 3.385 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000433048640 500613384 /nfs/dbraw/zinc/61/33/84/500613384.db2.gz XWEFFYCLXNOCNN-PKOBYXMFSA-N 0 3 356.422 3.214 20 5 FGBDHN Cc1cccc2nc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn21 ZINC000447535393 500619563 /nfs/dbraw/zinc/61/95/63/500619563.db2.gz FRAAVFAOHPRUNM-JKSUJKDBSA-N 0 3 354.414 3.021 20 5 FGBDHN CCCOc1ncccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447549532 500622300 /nfs/dbraw/zinc/62/23/00/500622300.db2.gz KKTFSARKUKAJMI-HOTGVXAUSA-N 0 3 359.430 3.249 20 5 FGBDHN CCOC1CC(O)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000447569844 500626177 /nfs/dbraw/zinc/62/61/77/500626177.db2.gz QLVDLJTUQQKBIO-IOJLRTSASA-N 0 3 356.422 3.204 20 5 FGBDHN Cc1c(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000570626461 506207589 /nfs/dbraw/zinc/20/75/89/506207589.db2.gz OUGASBQAUDSJHS-RXVVDRJESA-N 0 3 370.449 3.448 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCCN(Cc4cccs4)C3)[nH]c2c1 ZINC000447695233 500647500 /nfs/dbraw/zinc/64/75/00/500647500.db2.gz VYQFPCVMJLTRGZ-CYBMUJFWSA-N 0 3 371.466 3.279 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]1c1ccccc1 ZINC000437575781 500662637 /nfs/dbraw/zinc/66/26/37/500662637.db2.gz GPLLTDXKXAUFON-KRWDZBQOSA-N 0 3 355.394 3.379 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433301823 500666262 /nfs/dbraw/zinc/66/62/62/500666262.db2.gz WLLSIXMWJCFQNR-IBGZPJMESA-N 0 3 356.422 3.467 20 5 FGBDHN C[C@H](OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000570675249 506213047 /nfs/dbraw/zinc/21/30/47/506213047.db2.gz AZHNBUXENJFQKT-UGSOOPFHSA-N 0 3 364.829 3.477 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000438337344 500772494 /nfs/dbraw/zinc/77/24/94/500772494.db2.gz YFTVBLRSEHSFNI-SFHVURJKSA-N 0 3 360.410 3.456 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434359559 500831818 /nfs/dbraw/zinc/83/18/18/500831818.db2.gz WPDLWFWVSNEKMV-ZDUSSCGKSA-N 0 3 352.822 3.387 20 5 FGBDHN CCc1ccc([C@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000439128532 500860539 /nfs/dbraw/zinc/86/05/39/500860539.db2.gz FKCLAGLDZGQXRQ-KRWDZBQOSA-N 0 3 372.425 3.054 20 5 FGBDHN CSc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444620002 500868099 /nfs/dbraw/zinc/86/80/99/500868099.db2.gz QYUVDABYQYYOAW-UHFFFAOYSA-N 0 3 351.472 3.169 20 5 FGBDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444682017 500878062 /nfs/dbraw/zinc/87/80/62/500878062.db2.gz SFTUWRAUUVDZQR-TZMCWYRMSA-N 0 3 363.414 3.163 20 5 FGBDHN C[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449210130 500948871 /nfs/dbraw/zinc/94/88/71/500948871.db2.gz VWZHRAFOJPMEAR-KBPBESRZSA-N 0 3 362.451 3.453 20 5 FGBDHN CCN(Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1)C1CC1 ZINC000445575990 501004887 /nfs/dbraw/zinc/00/48/87/501004887.db2.gz HQGLPRUGWZBIKD-UHFFFAOYSA-N 0 3 368.397 3.030 20 5 FGBDHN CN(C)CCOc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000440596452 501027490 /nfs/dbraw/zinc/02/74/90/501027490.db2.gz HZLGJGZNSRNAJT-UHFFFAOYSA-N 0 3 351.353 3.426 20 5 FGBDHN CCN(CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436315182 501106090 /nfs/dbraw/zinc/10/60/90/501106090.db2.gz DTJAKVBMWLXPQF-UHFFFAOYSA-N 0 3 367.424 3.035 20 5 FGBDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000441438261 501139305 /nfs/dbraw/zinc/13/93/05/501139305.db2.gz JAFIMRCUWCGBFL-SJORKVTESA-N 0 3 352.431 3.118 20 5 FGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000436723429 501197257 /nfs/dbraw/zinc/19/72/57/501197257.db2.gz NQYLJXHLNLCRCF-LJQANCHMSA-N 0 3 367.449 3.437 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000447077612 501202412 /nfs/dbraw/zinc/20/24/12/501202412.db2.gz OAVCYYPFRSCQBN-MSOLQXFVSA-N 0 3 355.438 3.198 20 5 FGBDHN C[C@@H](C[C@H]1CCCC(=O)N1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602639424 506240821 /nfs/dbraw/zinc/24/08/21/506240821.db2.gz ISONNRJQHMWTFC-GXFFZTMASA-N 0 3 359.348 3.151 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)co2)cc1 ZINC000451421243 501288963 /nfs/dbraw/zinc/28/89/63/501288963.db2.gz OCIMCIVGMOVEAX-KSZLIROESA-N 0 3 357.410 3.375 20 5 FGBDHN CC[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000453226552 501294516 /nfs/dbraw/zinc/29/45/16/501294516.db2.gz DFZHDMWOSJOMRL-PBHICJAKSA-N 0 3 360.435 3.207 20 5 FGBDHN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458186952 501387153 /nfs/dbraw/zinc/38/71/53/501387153.db2.gz AQDGAYQAUSKYBA-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CN(C)[C@@]1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCSC1 ZINC000582490159 506251553 /nfs/dbraw/zinc/25/15/53/506251553.db2.gz UGWQNKUDLJYVNS-UONOGXRCSA-N 0 3 363.405 3.225 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000458523354 501465485 /nfs/dbraw/zinc/46/54/85/501465485.db2.gz WBJACDANDBQQHD-DZGCQCFKSA-N 0 3 360.458 3.090 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](c3cccs3)N3CCCC3)c2c1 ZINC000611700750 506261818 /nfs/dbraw/zinc/26/18/18/506261818.db2.gz UYQMQYOJWWIKPP-INIZCTEOSA-N 0 3 369.450 3.270 20 5 FGBDHN O=[N+]([O-])c1sc(CNCC2(CF)CCOCC2)cc1Br ZINC000602686928 506262907 /nfs/dbraw/zinc/26/29/07/506262907.db2.gz ZGWDIYJFKONEBL-UHFFFAOYSA-N 0 3 367.240 3.275 20 5 FGBDHN CN(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000611709036 506265274 /nfs/dbraw/zinc/26/52/74/506265274.db2.gz UKGWPFMDBOJBGM-KRWDZBQOSA-N 0 3 371.828 3.328 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087550 501648045 /nfs/dbraw/zinc/64/80/45/501648045.db2.gz PZBMKQAZCZVBCA-HIFRSBDPSA-N 0 3 351.472 3.017 20 5 FGBDHN C[C@@H](CCCc1cccnc1)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459649549 501692749 /nfs/dbraw/zinc/69/27/49/501692749.db2.gz VYVNETJKFMQYLB-GJZGRUSLSA-N 0 3 356.426 3.318 20 5 FGBDHN C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000457479588 501706897 /nfs/dbraw/zinc/70/68/97/501706897.db2.gz KAOHCKCARLAXAT-KXBFYZLASA-N 0 3 370.453 3.128 20 5 FGBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459765904 501710989 /nfs/dbraw/zinc/71/09/89/501710989.db2.gz PHYHUGKGPCNHIV-VCTAVGKDSA-N 0 3 367.833 3.122 20 5 FGBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602710025 506269825 /nfs/dbraw/zinc/26/98/25/506269825.db2.gz VKOAKNCLENHWAY-TXNHMLTKSA-N 0 3 364.389 3.393 20 5 FGBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602710023 506270676 /nfs/dbraw/zinc/27/06/76/506270676.db2.gz VKOAKNCLENHWAY-FPJCUDJDSA-N 0 3 364.389 3.393 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000481385128 501758452 /nfs/dbraw/zinc/75/84/52/501758452.db2.gz WGGYWKGEZGZZTP-FZKQIMNGSA-N 0 3 372.425 3.416 20 5 FGBDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671482 501761687 /nfs/dbraw/zinc/76/16/87/501761687.db2.gz TYPVOAKBWZSMRO-ZIAGYGMSSA-N 0 3 351.472 3.064 20 5 FGBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474329649 501793161 /nfs/dbraw/zinc/79/31/61/501793161.db2.gz MINHVCPDQFOMAI-SFHVURJKSA-N 0 3 354.410 3.333 20 5 FGBDHN NC(=O)c1cc(N[C@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000596137094 506275357 /nfs/dbraw/zinc/27/53/57/506275357.db2.gz QIJFAONIOKKPKR-GOSISDBHSA-N 0 3 368.437 3.333 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000481853444 501899929 /nfs/dbraw/zinc/89/99/29/501899929.db2.gz DCVCIBNTFNRCBY-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN O=C(CCCNCc1ccc([N+](=O)[O-])cc1F)N1Cc2ccccc2C1 ZINC000478230201 501916399 /nfs/dbraw/zinc/91/63/99/501916399.db2.gz NDUUAHQFVUJSMK-UHFFFAOYSA-N 0 3 357.385 3.146 20 5 FGBDHN Cc1c(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000478448252 501984805 /nfs/dbraw/zinc/98/48/05/501984805.db2.gz SHWZZNBVIUQCOX-GOSISDBHSA-N 0 3 356.426 3.005 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468458292 502063340 /nfs/dbraw/zinc/06/33/40/502063340.db2.gz IEFNXCWRACVKCR-CZUORRHYSA-N 0 3 365.499 3.312 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000468487354 502077109 /nfs/dbraw/zinc/07/71/09/502077109.db2.gz HWPZFGMTEZTKNJ-INIZCTEOSA-N 0 3 365.449 3.248 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000475572068 502216823 /nfs/dbraw/zinc/21/68/23/502216823.db2.gz XLPWQMLBQRSECE-UHFFFAOYSA-N 0 3 356.426 3.465 20 5 FGBDHN Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461974558 502259816 /nfs/dbraw/zinc/25/98/16/502259816.db2.gz PXHMTJXDBQPSEX-ZDUSSCGKSA-N 0 3 373.375 3.081 20 5 FGBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000486798942 502266573 /nfs/dbraw/zinc/26/65/73/502266573.db2.gz ZJRIEJBJUYKHAH-UHFFFAOYSA-N 0 3 363.364 3.424 20 5 FGBDHN Cc1ncc(CNC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000602798485 506304409 /nfs/dbraw/zinc/30/44/09/506304409.db2.gz KRMNUPACHYOPEV-UHFFFAOYSA-N 0 3 374.466 3.031 20 5 FGBDHN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000475862330 502312395 /nfs/dbraw/zinc/31/23/95/502312395.db2.gz BLTLSIZUWMWVCM-SFHVURJKSA-N 0 3 371.485 3.205 20 5 FGBDHN Cn1ccnc1[C@H](NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073529 506310053 /nfs/dbraw/zinc/31/00/53/506310053.db2.gz IHYSTLKCTJWSFY-RBUKOAKNSA-N 0 3 369.469 3.024 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3ccc(F)c(F)c3)CC2)n1 ZINC000469447870 502422429 /nfs/dbraw/zinc/42/24/29/502422429.db2.gz HZWZEUFZNWCTFS-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN COC(=O)c1c(Cl)c(NCC23CCCN2CCC3)ccc1[N+](=O)[O-] ZINC000596216417 506315962 /nfs/dbraw/zinc/31/59/62/506315962.db2.gz JBUFLKHBIBUSHT-UHFFFAOYSA-N 0 3 353.806 3.075 20 5 FGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000484108317 502571970 /nfs/dbraw/zinc/57/19/70/502571970.db2.gz HJRDSGQLPZZSLE-UHFFFAOYSA-N 0 3 374.485 3.264 20 5 FGBDHN CN(C)CCN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487937855 502572410 /nfs/dbraw/zinc/57/24/10/502572410.db2.gz CCLHAVYETRBCHZ-UHFFFAOYSA-N 0 3 359.451 3.380 20 5 FGBDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484135888 502579331 /nfs/dbraw/zinc/57/93/31/502579331.db2.gz DESCRHCFGXKFIO-STQMWFEESA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000484333782 502626934 /nfs/dbraw/zinc/62/69/34/502626934.db2.gz BBCFZTQAFMRXCW-KXBFYZLASA-N 0 3 368.437 3.057 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714704 502787644 /nfs/dbraw/zinc/78/76/44/502787644.db2.gz FYZWOVKBYONPEF-QJPTWQEYSA-N 0 3 358.364 3.175 20 5 FGBDHN CC(C)NC(=O)c1ccc(N2CCN(C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488760710 502806000 /nfs/dbraw/zinc/80/60/00/502806000.db2.gz AIVQBNKIDRMRNN-OAHLLOKOSA-N 0 3 374.485 3.044 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cccc(C(N)=O)c1 ZINC000504893310 502820207 /nfs/dbraw/zinc/82/02/07/502820207.db2.gz DMJQXBWZLMQLEH-HNNXBMFYSA-N 0 3 359.451 3.354 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NC(C)(C)C ZINC000504911159 502822625 /nfs/dbraw/zinc/82/26/25/502822625.db2.gz BDUAPEBDISXTSM-CHWSQXEVSA-N 0 3 353.488 3.358 20 5 FGBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000505028681 502841507 /nfs/dbraw/zinc/84/15/07/502841507.db2.gz IBLQPXVDSUEGBM-QGZVFWFLSA-N 0 3 370.453 3.440 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489451797 502962716 /nfs/dbraw/zinc/96/27/16/502962716.db2.gz SJZZWRMKYPGVSV-NYCLONFESA-N 0 3 374.485 3.336 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000501459517 503013705 /nfs/dbraw/zinc/01/37/05/503013705.db2.gz UGJSZQHOJWLAPO-OLZOCXBDSA-N 0 3 351.472 3.167 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000506008041 503028217 /nfs/dbraw/zinc/02/82/17/503028217.db2.gz PKJCFQTVMLAUGC-UHFFFAOYSA-N 0 3 350.806 3.161 20 5 FGBDHN COc1ccccc1[C@H]1CC[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243187 503078322 /nfs/dbraw/zinc/07/83/22/503078322.db2.gz OBLVFTQAGHEJIK-MAUKXSAKSA-N 0 3 371.437 3.238 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510554406 503143188 /nfs/dbraw/zinc/14/31/88/503143188.db2.gz STVWMDVEYWEXIW-VLIAUNLRSA-N 0 3 373.428 3.392 20 5 FGBDHN CNc1c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)cccc1[N+](=O)[O-] ZINC000510553983 503143580 /nfs/dbraw/zinc/14/35/80/503143580.db2.gz SDTTXJRWSVBFEC-AUUYWEPGSA-N 0 3 370.453 3.366 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599182806 506362246 /nfs/dbraw/zinc/36/22/46/506362246.db2.gz CBKTWISCUYWSBC-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN CN1C(=O)C[C@H](NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494231876 503508645 /nfs/dbraw/zinc/50/86/45/503508645.db2.gz WHIISKOBEMIPPS-HKUYNNGSSA-N 0 3 373.840 3.352 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccccc1Cn1cncn1 ZINC000508746155 503556086 /nfs/dbraw/zinc/55/60/86/503556086.db2.gz JWLLPXWSRDVKBB-CXUHLZMHSA-N 0 3 363.421 3.428 20 5 FGBDHN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000500526837 503642300 /nfs/dbraw/zinc/64/23/00/503642300.db2.gz ZOBHQMVSFLPRQI-KXBFYZLASA-N 0 3 370.453 3.128 20 5 FGBDHN C[C@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000543185248 503665535 /nfs/dbraw/zinc/66/55/35/503665535.db2.gz WWPPBVSXJRLKPF-IBGZPJMESA-N 0 3 374.462 3.210 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CN(C)Cc2ccccc21 ZINC000540153779 503691984 /nfs/dbraw/zinc/69/19/84/503691984.db2.gz QEHRZJANVXFNBB-LIRRHRJNSA-N 0 3 368.437 3.088 20 5 FGBDHN Cc1ccc(CNCCOc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000533007296 503695405 /nfs/dbraw/zinc/69/54/05/503695405.db2.gz FDZYSRKRBZRVRY-UHFFFAOYSA-N 0 3 355.316 3.486 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543257663 503701733 /nfs/dbraw/zinc/70/17/33/503701733.db2.gz SOBPKSYYPKYFSO-LBPRGKRZSA-N 0 3 371.890 3.331 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000536826582 503733160 /nfs/dbraw/zinc/73/31/60/503733160.db2.gz KYXHMLUUSXZGLZ-QFBILLFUSA-N 0 3 367.449 3.307 20 5 FGBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OC1CCCC1 ZINC000537050120 503788704 /nfs/dbraw/zinc/78/87/04/503788704.db2.gz CJZPUDBFWPIJIK-CQSZACIVSA-N 0 3 374.441 3.472 20 5 FGBDHN Cc1ccc2c(c1)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C2 ZINC000543597329 503824908 /nfs/dbraw/zinc/82/49/08/503824908.db2.gz KNPWGQGOVYTHSR-IFXJQAMLSA-N 0 3 374.462 3.200 20 5 FGBDHN CN(C)CCOc1ccc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000546998531 503951454 /nfs/dbraw/zinc/95/14/54/503951454.db2.gz RAZVXEQRESADDQ-UHFFFAOYSA-N 0 3 368.393 3.176 20 5 FGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCCC[C@H]1C ZINC000518832784 504075005 /nfs/dbraw/zinc/07/50/05/504075005.db2.gz JQBXOZPBAODRKS-OLZOCXBDSA-N 0 3 369.849 3.006 20 5 FGBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000544418320 504125661 /nfs/dbraw/zinc/12/56/61/504125661.db2.gz MTOWLVFFMHBTMT-INIZCTEOSA-N 0 3 373.457 3.323 20 5 FGBDHN COCC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000544422315 504127386 /nfs/dbraw/zinc/12/73/86/504127386.db2.gz XMGSTZRJWPIUCY-HNNXBMFYSA-N 0 3 361.398 3.192 20 5 FGBDHN C[C@H](C(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541593134 504192428 /nfs/dbraw/zinc/19/24/28/504192428.db2.gz RWNJOGTXXJGHCJ-STQMWFEESA-N 0 3 351.422 3.026 20 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ZINC000535466927 504442684 /nfs/dbraw/zinc/44/26/84/504442684.db2.gz ADJLBLAWRAWPAD-MOPGFXCFSA-N 0 3 367.449 3.434 20 5 FGBDHN Cc1ccc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320598 504450202 /nfs/dbraw/zinc/45/02/02/504450202.db2.gz RDUAXIGTCWQAIT-HKUYNNGSSA-N 0 3 356.422 3.132 20 5 FGBDHN Cc1ccc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320600 504450348 /nfs/dbraw/zinc/45/03/48/504450348.db2.gz RDUAXIGTCWQAIT-MJGOQNOKSA-N 0 3 356.422 3.132 20 5 FGBDHN Cc1cccc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000542322350 504450919 /nfs/dbraw/zinc/45/09/19/504450919.db2.gz ULDPWNZICYSKLP-ZWKOTPCHSA-N 0 3 356.422 3.132 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000531990217 504497186 /nfs/dbraw/zinc/49/71/86/504497186.db2.gz PEGCCASSDQKZRB-HNNXBMFYSA-N 0 3 368.359 3.465 20 5 FGBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000545863967 504618447 /nfs/dbraw/zinc/61/84/47/504618447.db2.gz MXBXPOJGWQIQDN-CQSZACIVSA-N 0 3 365.449 3.248 20 5 FGBDHN COc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000542964321 504674553 /nfs/dbraw/zinc/67/45/53/504674553.db2.gz MJBXIBOYKUXENG-QGZVFWFLSA-N 0 3 372.425 3.336 20 5 FGBDHN CN(CCC(=O)N1CCc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000549156395 504706584 /nfs/dbraw/zinc/70/65/84/504706584.db2.gz CYJAJXIQNBPQSU-UHFFFAOYSA-N 0 3 353.422 3.049 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccccn2)cccc1[N+](=O)[O-] ZINC000532650638 504725452 /nfs/dbraw/zinc/72/54/52/504725452.db2.gz LVGPXYNDQDXHKK-GOSISDBHSA-N 0 3 354.410 3.464 20 5 FGBDHN O=C(Nc1ccccc1)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000532769326 504754809 /nfs/dbraw/zinc/75/48/09/504754809.db2.gz MBIRTJANUWKOON-INIZCTEOSA-N 0 3 369.421 3.324 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2ccncc2)C1 ZINC000521641208 504767986 /nfs/dbraw/zinc/76/79/86/504767986.db2.gz RKHADYUDJJGJEF-MRXNPFEDSA-N 0 3 354.410 3.116 20 5 FGBDHN COc1cccc([C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)N(C)C)c1 ZINC000553249798 504863975 /nfs/dbraw/zinc/86/39/75/504863975.db2.gz ZIHYZIJNPUULAJ-CQSZACIVSA-N 0 3 373.438 3.323 20 5 FGBDHN CC(C)C1(NCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000549871331 504922598 /nfs/dbraw/zinc/92/25/98/504922598.db2.gz LWZSJKZUWCJYTE-UHFFFAOYSA-N 0 3 360.195 3.478 20 5 FGBDHN COc1cc(CN(C)CCCN(C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000556884002 505005628 /nfs/dbraw/zinc/00/56/28/505005628.db2.gz OVTZVZGGAAWXIR-UHFFFAOYSA-N 0 3 365.405 3.289 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000556915510 505015978 /nfs/dbraw/zinc/01/59/78/505015978.db2.gz RMLUIFQHXUYELS-CVEARBPZSA-N 0 3 360.458 3.234 20 5 FGBDHN Cc1c([C@@H](C)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000556916183 505016068 /nfs/dbraw/zinc/01/60/68/505016068.db2.gz XYQSMXWSKGHQCX-CVEARBPZSA-N 0 3 360.458 3.234 20 5 FGBDHN CCOC(=O)C1CCC(N(CC)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000565961652 505039898 /nfs/dbraw/zinc/03/98/98/505039898.db2.gz FJUKPHPRZUZQCX-UHFFFAOYSA-N 0 3 374.441 3.415 20 5 FGBDHN C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000557606289 505180840 /nfs/dbraw/zinc/18/08/40/505180840.db2.gz MMUDCXUESVWQDJ-GDBMZVCRSA-N 0 3 368.437 3.159 20 5 FGBDHN C[C@@H](C(=O)NCC1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000563798895 505242259 /nfs/dbraw/zinc/24/22/59/505242259.db2.gz XZMPZMRHYZYASU-OAHLLOKOSA-N 0 3 368.437 3.126 20 5 FGBDHN CCOc1ccccc1NC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835527 505276478 /nfs/dbraw/zinc/27/64/78/505276478.db2.gz TVWQBVZDOSWOOO-UHFFFAOYSA-N 0 3 371.437 3.497 20 5 FGBDHN COc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C2CC2)c(OC)c1 ZINC000554862257 505283924 /nfs/dbraw/zinc/28/39/24/505283924.db2.gz BYHORGCHULLGEZ-CQSZACIVSA-N 0 3 374.441 3.109 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000567327557 505430435 /nfs/dbraw/zinc/43/04/35/505430435.db2.gz IRTWIOQNUKYHKI-MRXNPFEDSA-N 0 3 355.438 3.289 20 5 FGBDHN C[C@H](F)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000555616064 505475700 /nfs/dbraw/zinc/47/57/00/505475700.db2.gz LDYUVLNYIPAANE-QMMMGPOBSA-N 0 3 352.147 3.037 20 5 FGBDHN CN(CCC1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562036616 505498519 /nfs/dbraw/zinc/49/85/19/505498519.db2.gz KXCLRJCHPRVHIU-UHFFFAOYSA-N 0 3 360.195 3.431 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000559048460 505557194 /nfs/dbraw/zinc/55/71/94/505557194.db2.gz BXVDZIODLCXSDO-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596471543 506424468 /nfs/dbraw/zinc/42/44/68/506424468.db2.gz XDXDOTQZQHXVKO-LJQANCHMSA-N 0 3 368.437 3.376 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596657162 506514110 /nfs/dbraw/zinc/51/41/10/506514110.db2.gz JKJLLJANKSQQEC-NSHDSACASA-N 0 3 372.372 3.191 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCCC2 ZINC000583051157 506560547 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FGBDHN O=C(NCCN1CCCCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829728 506663427 /nfs/dbraw/zinc/66/34/27/506663427.db2.gz DABWMEQMQYPODN-UHFFFAOYSA-N 0 3 357.414 3.141 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831721 506664967 /nfs/dbraw/zinc/66/49/67/506664967.db2.gz XPCIGOVUJCSXGJ-CYBMUJFWSA-N 0 3 357.414 3.139 20 5 FGBDHN CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986167 506736743 /nfs/dbraw/zinc/73/67/43/506736743.db2.gz OXVCNLOUIZPQFU-UHFFFAOYSA-N 0 3 371.890 3.283 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCC[C@@]2(O)CCCOC2)c2ccccc2)c1 ZINC000593720940 506747257 /nfs/dbraw/zinc/74/72/57/506747257.db2.gz NGRZHCINTNNJEM-PMACEKPBSA-N 0 3 356.422 3.205 20 5 FGBDHN Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593724907 506748184 /nfs/dbraw/zinc/74/81/84/506748184.db2.gz BEFZXIIGPFCEIU-ROUUACIJSA-N 0 3 353.422 3.338 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000604330496 506788783 /nfs/dbraw/zinc/78/87/83/506788783.db2.gz KPHSHKNKIJVVBV-CVEARBPZSA-N 0 3 374.485 3.045 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597129575 506791157 /nfs/dbraw/zinc/79/11/57/506791157.db2.gz OFXLUWSCIMCIBL-IBGZPJMESA-N 0 3 356.422 3.437 20 5 FGBDHN O=[N+]([O-])c1ncccc1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000604379728 506807562 /nfs/dbraw/zinc/80/75/62/506807562.db2.gz RPYBFKFYERYIIT-UHFFFAOYSA-N 0 3 353.426 3.265 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H]3CCN(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000609223472 506818290 /nfs/dbraw/zinc/81/82/90/506818290.db2.gz WKWXSIDVHCYXAG-CYBMUJFWSA-N 0 3 357.410 3.190 20 5 FGBDHN O=C(CCN1CCCO[C@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609234612 506823183 /nfs/dbraw/zinc/82/31/83/506823183.db2.gz YMTUWAGAHZDKQL-IBGZPJMESA-N 0 3 369.421 3.387 20 5 FGBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCC(=O)N(C)C1 ZINC000600178182 506824254 /nfs/dbraw/zinc/82/42/54/506824254.db2.gz GUGLDHGSEYGOBP-CYBMUJFWSA-N 0 3 359.451 3.376 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)C(O)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000597206043 506834534 /nfs/dbraw/zinc/83/45/34/506834534.db2.gz PTLAREHPZIIUTE-CHWSQXEVSA-N 0 3 360.410 3.312 20 5 FGBDHN CCc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000583552726 506843886 /nfs/dbraw/zinc/84/38/86/506843886.db2.gz OCAGVJTWVLVMDI-OKILXGFUSA-N 0 3 355.442 3.143 20 5 FGBDHN CSc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000590532389 506851902 /nfs/dbraw/zinc/85/19/02/506851902.db2.gz OIWOOSXKNJCAAK-KRWDZBQOSA-N 0 3 359.451 3.349 20 5 FGBDHN C[C@H]1[C@H](N(C)C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000590568152 506863553 /nfs/dbraw/zinc/86/35/53/506863553.db2.gz BCMSISFGNSQJAW-WMLDXEAASA-N 0 3 353.422 3.355 20 5 FGBDHN CC(C)(CO)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000583593888 506866465 /nfs/dbraw/zinc/86/64/65/506866465.db2.gz WNLCDSDLXRSWGW-INIZCTEOSA-N 0 3 350.440 3.385 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442626 506882710 /nfs/dbraw/zinc/88/27/10/506882710.db2.gz LBFFDIWBAZRQRK-INIZCTEOSA-N 0 3 371.412 3.376 20 5 FGBDHN COc1cccc2c1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000590759784 506941115 /nfs/dbraw/zinc/94/11/15/506941115.db2.gz NQOWZIQZRSDHPA-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874619 507034088 /nfs/dbraw/zinc/03/40/88/507034088.db2.gz WQGPTNYSSNOLQO-JHJVBQTASA-N 0 3 353.850 3.344 20 5 FGBDHN COc1cccc2c1OCC[C@@H]2N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521896 507170338 /nfs/dbraw/zinc/17/03/38/507170338.db2.gz VLQTZVUVWGNJDA-ARFHVFGLSA-N 0 3 372.425 3.397 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601019817 507231282 /nfs/dbraw/zinc/23/12/82/507231282.db2.gz GCVAJGXQARXUGM-INIZCTEOSA-N 0 3 371.412 3.376 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000610432879 507235795 /nfs/dbraw/zinc/23/57/95/507235795.db2.gz GSYZLBHAWVVDIC-LJQANCHMSA-N 0 3 352.394 3.201 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@]23C[C@@H]2CCC3)c1 ZINC000594952606 507329812 /nfs/dbraw/zinc/32/98/12/507329812.db2.gz PVJVJTILLSGAFP-GWCFXTLKSA-N 0 3 358.179 3.232 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000595009330 507352332 /nfs/dbraw/zinc/35/23/32/507352332.db2.gz QYRQYOATGJJYPH-HIFRSBDPSA-N 0 3 369.421 3.339 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000610721451 507363133 /nfs/dbraw/zinc/36/31/33/507363133.db2.gz ZNMUEDWOZLVYCT-KRWDZBQOSA-N 0 3 362.474 3.389 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(CC(F)(F)F)CC1 ZINC000595043854 507367147 /nfs/dbraw/zinc/36/71/47/507367147.db2.gz WLQYSNYWOVGPOG-NSHDSACASA-N 0 3 361.364 3.281 20 5 FGBDHN CO[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595060210 507372220 /nfs/dbraw/zinc/37/22/20/507372220.db2.gz KAOSPVVGQDFNTJ-SXLOBPIMSA-N 0 3 356.422 3.325 20 5 FGBDHN Cc1c([C@@H](C)NCC2(S(C)(=O)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000595076977 507381115 /nfs/dbraw/zinc/38/11/15/507381115.db2.gz KLQUPVITAIYLBB-CQSZACIVSA-N 0 3 354.472 3.301 20 5 FGBDHN Cc1ccc([C@@H](C)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1[N+](=O)[O-] ZINC000595095037 507387790 /nfs/dbraw/zinc/38/77/90/507387790.db2.gz FDCDDJIAQOLRSH-ATZDWAIDSA-N 0 3 359.470 3.197 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1OCC ZINC000610782582 507388064 /nfs/dbraw/zinc/38/80/64/507388064.db2.gz FHBAJPJGTYAVCI-CYBMUJFWSA-N 0 3 362.430 3.248 20 5 FGBDHN O=C1N(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000595098598 507389159 /nfs/dbraw/zinc/38/91/59/507389159.db2.gz CAPIWJGCLNLRHA-IEBWSBKVSA-N 0 3 372.469 3.242 20 5 FGBDHN CCOc1ccc(C(=O)Nc2ccc(CN(C)C)cc2OC)cc1[N+](=O)[O-] ZINC000601619395 507404398 /nfs/dbraw/zinc/40/43/98/507404398.db2.gz CAUDBSYOZVKUSR-UHFFFAOYSA-N 0 3 373.409 3.316 20 5 FGBDHN Cc1noc(CN2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000595333008 507463216 /nfs/dbraw/zinc/46/32/16/507463216.db2.gz MAMKNVRISNYHDM-HXUWFJFHSA-N 0 3 370.453 3.379 20 5 FGBDHN Cc1nccn1CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132216 507495473 /nfs/dbraw/zinc/49/54/73/507495473.db2.gz CGFLXDJAWXFLFP-WGSAOQKQSA-N 0 3 372.469 3.296 20 5 FGBDHN COC(=O)c1ccnc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598589909 507508892 /nfs/dbraw/zinc/50/88/92/507508892.db2.gz VPQFOLQETYFXFU-ZFWWWQNUSA-N 0 3 370.409 3.024 20 5 FGBDHN COc1ccc(OCCN2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000595503201 507534924 /nfs/dbraw/zinc/53/49/24/507534924.db2.gz YGFLCOFXURUBDZ-HNNXBMFYSA-N 0 3 357.410 3.257 20 5 FGBDHN CC(=O)N1CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000598677388 507548861 /nfs/dbraw/zinc/54/88/61/507548861.db2.gz GLRSWXGBHGDXDM-SFHVURJKSA-N 0 3 355.394 3.061 20 5 FGBDHN CCOc1ccc([C@@H](C)NC2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000611248222 507579626 /nfs/dbraw/zinc/57/96/26/507579626.db2.gz OHLLFGQJBWEQHL-GFCCVEGCSA-N 0 3 357.401 3.374 20 5 FGBDHN CC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000592374515 507625643 /nfs/dbraw/zinc/62/56/43/507625643.db2.gz JZJAZRMIJUAVRE-SBSDFTTDSA-N 0 3 359.451 3.354 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595703853 507638997 /nfs/dbraw/zinc/63/89/97/507638997.db2.gz ALINUZVBJSTTGH-OGHNNQOOSA-N 0 3 369.421 3.248 20 5 FGBDHN Cc1ccc(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592523796 507695305 /nfs/dbraw/zinc/69/53/05/507695305.db2.gz QJPVZMMZBAKSBS-GOSISDBHSA-N 0 3 353.422 3.042 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCCC2=O)CC1 ZINC000595806946 507695739 /nfs/dbraw/zinc/69/57/39/507695739.db2.gz MWABHTFRPWKUFT-UHFFFAOYSA-N 0 3 359.426 3.067 20 5 FGBDHN Cc1c(NC(=O)CCN2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595816927 507699368 /nfs/dbraw/zinc/69/93/68/507699368.db2.gz ZKWXYGYCUJOKSG-AWEZNQCLSA-N 0 3 361.442 3.265 20 5 FGBDHN CCOc1cccc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000614977886 507712509 /nfs/dbraw/zinc/71/25/09/507712509.db2.gz OUVMBAAXUQFJQB-HOCLYGCPSA-N 0 3 351.472 3.010 20 5 FGBDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516764 507718351 /nfs/dbraw/zinc/71/83/51/507718351.db2.gz TYSJKSLPWHDVMJ-CQSZACIVSA-N 0 3 350.415 3.159 20 5 FGBDHN COc1ccc([C@@H](NCCn2c(C)ncc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000611565580 507741585 /nfs/dbraw/zinc/74/15/85/507741585.db2.gz HPTROPQRMRUMGU-FQEVSTJZSA-N 0 3 366.421 3.488 20 5 FGBDHN CC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1nc(C)cs1 ZINC000602560070 507749787 /nfs/dbraw/zinc/74/97/87/507749787.db2.gz BBSCPXVSSKRQOZ-OAHLLOKOSA-N 0 3 361.471 3.464 20 5 FGBDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000181959517 568270124 /nfs/dbraw/zinc/27/01/24/568270124.db2.gz BMMCOTLXHUPGKE-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110356920 700540741 /nfs/dbraw/zinc/54/07/41/700540741.db2.gz IUYAOZFMWSXJDL-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152574476 704966432 /nfs/dbraw/zinc/96/64/32/704966432.db2.gz YQZPVDPIOYVBQX-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccccc2OC(F)(F)F)cc1 ZINC000731678239 722477249 /nfs/dbraw/zinc/47/72/49/722477249.db2.gz JQZASZSYUFKLPJ-AWEZNQCLSA-N 0 3 356.300 3.317 20 5 FGBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000792880909 723376869 /nfs/dbraw/zinc/37/68/69/723376869.db2.gz JJSCQHRGWQKGKF-XZJROXQQSA-N 0 3 351.403 3.432 20 5 FGBDHN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000785960934 724952245 /nfs/dbraw/zinc/95/22/45/724952245.db2.gz LOVOQWVAWIBXHE-DLBZAZTESA-N 0 3 350.802 3.259 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000809999995 725281629 /nfs/dbraw/zinc/28/16/29/725281629.db2.gz UOVRGXOVCLADHS-KRWDZBQOSA-N 0 3 371.840 3.419 20 5 FGBDHN COCCN1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477641 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20 5 FGBDHN CC([C@@H](OC(=O)CCC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845882614 730906040 /nfs/dbraw/zinc/90/60/40/730906040.db2.gz OZZVZHQXPAZGGB-BDJLRTHQSA-N 0 3 355.362 3.197 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1NCc2ccccc21 ZINC000851629150 731479670 /nfs/dbraw/zinc/47/96/70/731479670.db2.gz YIPWESCWJRCUGD-KRWDZBQOSA-N 0 3 359.813 3.441 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1F ZINC000855899945 731966145 /nfs/dbraw/zinc/96/61/45/731966145.db2.gz YFRQBVPPHOEIAS-LBPRGKRZSA-N 0 3 355.385 3.032 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)Cc1ccccc1 ZINC000858178547 732189685 /nfs/dbraw/zinc/18/96/85/732189685.db2.gz YDGHLSGOPLDNPA-AWEZNQCLSA-N 0 3 361.829 3.151 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863936270 733017585 /nfs/dbraw/zinc/01/75/85/733017585.db2.gz IHNCVZKRPQIJCQ-CQSZACIVSA-N 0 3 351.834 3.385 20 5 FGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454649 733853877 /nfs/dbraw/zinc/85/38/77/733853877.db2.gz MJFUEBCPHIRGGY-HVDRQEDPSA-N 0 3 351.374 3.138 20 5 FGBDHN CC([C@@H](OC(=O)Cc1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000873544060 735775933 /nfs/dbraw/zinc/77/59/33/735775933.db2.gz BJWHSLNVMNYAMW-QLJPJBMISA-N 0 3 352.749 3.366 20 5 FGBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CCc4cc(F)c(F)c(F)c43)C2)c1 ZINC000877571388 736686497 /nfs/dbraw/zinc/68/64/97/736686497.db2.gz XNMNPMWXGLALDT-SRHKJQAYSA-N 0 3 352.316 3.189 20 5 FGBDHN COc1c([O-])ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000896054202 742488290 /nfs/dbraw/zinc/48/82/90/742488290.db2.gz GWNLRTBFUHQSJC-QGZVFWFLSA-N 0 3 350.415 3.138 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCCc2cn[nH]c21 ZINC000903086644 743803048 /nfs/dbraw/zinc/80/30/48/743803048.db2.gz AQMGVUUZROSQSG-LBPRGKRZSA-N 0 3 351.204 3.248 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000042127548 205094964 /nfs/dbraw/zinc/09/49/64/205094964.db2.gz NLTIXFDKZMAUJJ-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102424162 257350494 /nfs/dbraw/zinc/35/04/94/257350494.db2.gz NODWQZSLDQXQMC-SECBINFHSA-N 0 3 355.188 3.088 20 5 FGBDHN C[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102418857 257350708 /nfs/dbraw/zinc/35/07/08/257350708.db2.gz BJCSMPIQTVACTD-SECBINFHSA-N 0 3 355.188 3.088 20 5 FGBDHN Cc1cc(N2CCC(N(C)Cc3cccc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000080967866 493804102 /nfs/dbraw/zinc/80/41/02/493804102.db2.gz XWDSGRRHACKNLN-UHFFFAOYSA-N 0 3 355.442 3.102 20 5 FGBDHN CCOC(=O)c1cc(C(=O)Nc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000029952732 493869586 /nfs/dbraw/zinc/86/95/86/493869586.db2.gz IIFYPIIQQZBSDY-UHFFFAOYSA-N 0 3 371.393 3.085 20 5 FGBDHN CN1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCCCC2)C1 ZINC000081598847 493926684 /nfs/dbraw/zinc/92/66/84/493926684.db2.gz BCWNGMJCSDMPIK-UHFFFAOYSA-N 0 3 371.441 3.095 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCC1 ZINC000032763292 494013369 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Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000067057801 494464713 /nfs/dbraw/zinc/46/47/13/494464713.db2.gz ZIGJWMJUXBNHPO-DOTOQJQBSA-N 0 3 353.422 3.469 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000079709752 494512726 /nfs/dbraw/zinc/51/27/26/494512726.db2.gz YOQULUGMWGFSIO-APWZRJJASA-N 0 3 367.449 3.307 20 5 FGBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000074511518 494550847 /nfs/dbraw/zinc/55/08/47/494550847.db2.gz VWIMBFBBKJBWTG-UHFFFAOYSA-N 0 3 367.405 3.375 20 5 FGBDHN O=C(CCN[C@@H]1CCCOc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000580304575 505728697 /nfs/dbraw/zinc/72/86/97/505728697.db2.gz LPNXIAFHDLBNGA-OAHLLOKOSA-N 0 3 355.394 3.427 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000023898754 494588099 /nfs/dbraw/zinc/58/80/99/494588099.db2.gz CLQGUCLSQSZRDO-UHFFFAOYSA-N 0 3 354.410 3.483 20 5 FGBDHN CCN1CCC(N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)CC1 ZINC000067681790 494608624 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ZINC000194712294 497746703 /nfs/dbraw/zinc/74/67/03/497746703.db2.gz SJHIVWHYFWZSJJ-KRWDZBQOSA-N 0 3 353.422 3.298 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000334009737 497846099 /nfs/dbraw/zinc/84/60/99/497846099.db2.gz NQJWJFIJTQBHTQ-OLZOCXBDSA-N 0 3 351.472 3.308 20 5 FGBDHN C[C@@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000364336032 497906795 /nfs/dbraw/zinc/90/67/95/497906795.db2.gz BQEJZQMURIOFHX-CQSZACIVSA-N 0 3 369.421 3.256 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@H](CO)c2ccccc21 ZINC000364455441 497966716 /nfs/dbraw/zinc/96/67/16/497966716.db2.gz OLWFVALLDMCVJO-LPMFXHHGSA-N 0 3 369.421 3.122 20 5 FGBDHN COc1cc(CNC[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000289195726 498054474 /nfs/dbraw/zinc/05/44/74/498054474.db2.gz BBVQFICTNMODGN-NWDGAFQWSA-N 0 3 374.384 3.010 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000581393666 505977750 /nfs/dbraw/zinc/97/77/50/505977750.db2.gz CFBXQAZWYQCJLX-UHFFFAOYSA-N 0 3 371.384 3.144 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000296627661 498127780 /nfs/dbraw/zinc/12/77/80/498127780.db2.gz CBCSMSWEFKSLHA-ZDUSSCGKSA-N 0 3 350.394 3.134 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289440984 498147172 /nfs/dbraw/zinc/14/71/72/498147172.db2.gz DTSBFRCFFIBMRP-IEBWSBKVSA-N 0 3 373.453 3.265 20 5 FGBDHN Cc1cc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301526036 498148923 /nfs/dbraw/zinc/14/89/23/498148923.db2.gz GBGICUVMMFMHFY-IYBDPMFKSA-N 0 3 362.474 3.014 20 5 FGBDHN Cc1ccc2cc(CN3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000364839019 498167010 /nfs/dbraw/zinc/16/70/10/498167010.db2.gz IAJYMVZCJCPTDH-QGZVFWFLSA-N 0 3 351.410 3.485 20 5 FGBDHN COCC1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000292876555 498180299 /nfs/dbraw/zinc/18/02/99/498180299.db2.gz XBSBMGIUVOJKCD-UHFFFAOYSA-N 0 3 363.241 3.434 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000301733458 498243169 /nfs/dbraw/zinc/24/31/69/498243169.db2.gz UEDJWYRVZIFVOY-HKUYNNGSSA-N 0 3 355.438 3.198 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289702792 498255615 /nfs/dbraw/zinc/25/56/15/498255615.db2.gz OMCHZLHGUMAEQK-NSHDSACASA-N 0 3 354.838 3.442 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848133 498291827 /nfs/dbraw/zinc/29/18/27/498291827.db2.gz VGYDDJFJNSSDLE-CVEARBPZSA-N 0 3 370.409 3.024 20 5 FGBDHN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000581544289 506012014 /nfs/dbraw/zinc/01/20/14/506012014.db2.gz WCXHOPGBFMVHPA-HNNXBMFYSA-N 0 3 350.802 3.086 20 5 FGBDHN COCCCOc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365117762 498305660 /nfs/dbraw/zinc/30/56/60/498305660.db2.gz RGLWSNYYMJJCDH-UHFFFAOYSA-N 0 3 374.441 3.044 20 5 FGBDHN COc1cc(N(C)CC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000301939108 498336899 /nfs/dbraw/zinc/33/68/99/498336899.db2.gz STXZLNWMFZSOMB-UHFFFAOYSA-N 0 3 374.416 3.490 20 5 FGBDHN C[C@@H](C1CCCCC1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000331464429 498339787 /nfs/dbraw/zinc/33/97/87/498339787.db2.gz FVXYXJKERRGKRF-LBPRGKRZSA-N 0 3 363.414 3.163 20 5 FGBDHN COc1cccc([C@H]2[C@H](Nc3ccc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000302063657 498392805 /nfs/dbraw/zinc/39/28/05/498392805.db2.gz RVIPWQUHVXZCBA-MJGOQNOKSA-N 0 3 354.410 3.388 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672865 498418970 /nfs/dbraw/zinc/41/89/70/498418970.db2.gz YRNSUJDIXKOVQD-PKOBYXMFSA-N 0 3 366.421 3.055 20 5 FGBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302151429 498419200 /nfs/dbraw/zinc/41/92/00/498419200.db2.gz BRPNVRVQMYXFSQ-INIZCTEOSA-N 0 3 356.426 3.323 20 5 FGBDHN Cc1cc(NCCN2CC=C(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302183448 498432780 /nfs/dbraw/zinc/43/27/80/498432780.db2.gz ZREZTNFXUJIARW-UHFFFAOYSA-N 0 3 353.426 3.424 20 5 FGBDHN Cc1cc(NCCc2cccc(C(N)=O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302188990 498435179 /nfs/dbraw/zinc/43/51/79/498435179.db2.gz QLNIRMOJZPMXRO-UHFFFAOYSA-N 0 3 350.378 3.205 20 5 FGBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000302222337 498449265 /nfs/dbraw/zinc/44/92/65/498449265.db2.gz OLQUTNZODQVSRE-ZDUSSCGKSA-N 0 3 355.320 3.118 20 5 FGBDHN CN(C)CCN1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302248240 498458651 /nfs/dbraw/zinc/45/86/51/498458651.db2.gz VALLNXFARWBRNM-UHFFFAOYSA-N 0 3 361.273 3.340 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293749050 498476521 /nfs/dbraw/zinc/47/65/21/498476521.db2.gz SIHCCEFMEPEZMA-LBPRGKRZSA-N 0 3 351.834 3.195 20 5 FGBDHN CCN1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@@H]1C ZINC000578877111 506042999 /nfs/dbraw/zinc/04/29/99/506042999.db2.gz ZKMGBFNHBDHODM-KBPBESRZSA-N 0 3 370.457 3.107 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000365583780 498544000 /nfs/dbraw/zinc/54/40/00/498544000.db2.gz ZFDYRSXXDXWLQA-DLBZAZTESA-N 0 3 369.421 3.457 20 5 FGBDHN C[C@@H]1CN(CC2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000332094765 498559601 /nfs/dbraw/zinc/55/96/01/498559601.db2.gz BKGYBVQVTQCCNJ-HUUCEWRRSA-N 0 3 365.449 3.055 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332137801 498575476 /nfs/dbraw/zinc/57/54/76/498575476.db2.gz QEWAAKDPGAVVAI-BRWVUGGUSA-N 0 3 361.486 3.477 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332254620 498620774 /nfs/dbraw/zinc/62/07/74/498620774.db2.gz DEGPFFIMJQJWJQ-HOCLYGCPSA-N 0 3 363.483 3.162 20 5 FGBDHN C[C@@H](C(=O)NCCCN(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000569998011 506064876 /nfs/dbraw/zinc/06/48/76/506064876.db2.gz LNWHFUKPUZHPPC-MRXNPFEDSA-N 0 3 355.438 3.337 20 5 FGBDHN O=C(CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)Nc1ccccn1 ZINC000570028762 506073158 /nfs/dbraw/zinc/07/31/58/506073158.db2.gz OWWQLEDUFHEWLS-KRWDZBQOSA-N 0 3 354.410 3.376 20 5 FGBDHN O=c1cc(CN[C@@H]2CCC(=O)NC23CCC3)c2c(ccc3ccccc32)o1 ZINC000282871402 498688321 /nfs/dbraw/zinc/68/83/21/498688321.db2.gz UQJWCOPHZWEWIC-GOSISDBHSA-N 0 3 362.429 3.237 20 5 FGBDHN C[C@@H](NCCc1nc2c(cccc2F)n1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294594179 498741117 /nfs/dbraw/zinc/74/11/17/498741117.db2.gz CYULLYPENYZXBJ-LLVKDONJSA-N 0 3 357.389 3.096 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000310825940 498748036 /nfs/dbraw/zinc/74/80/36/498748036.db2.gz XXSIFQFCKYFFAO-ZDUSSCGKSA-N 0 3 355.423 3.286 20 5 FGBDHN COc1ccc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600232 498751950 /nfs/dbraw/zinc/75/19/50/498751950.db2.gz GPCLIDPGYVBQDM-CRAIPNDOSA-N 0 3 355.438 3.356 20 5 FGBDHN CC(C)N(CCN(C)C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000291487704 498960852 /nfs/dbraw/zinc/96/08/52/498960852.db2.gz NPPFHJZKSIUROP-UHFFFAOYSA-N 0 3 356.426 3.069 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000288246914 498976055 /nfs/dbraw/zinc/97/60/55/498976055.db2.gz FYQHXFGIZJVYGV-YPMHNXCESA-N 0 3 371.359 3.312 20 5 FGBDHN Cc1cccc([C@H](C)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000570274045 506130365 /nfs/dbraw/zinc/13/03/65/506130365.db2.gz UYVHZHHVDMOIJY-OAHLLOKOSA-N 0 3 362.451 3.070 20 5 FGBDHN CN1CCC2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)C1=O ZINC000369649451 499431553 /nfs/dbraw/zinc/43/15/53/499431553.db2.gz RBBDHEGGGXBCNN-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000375394672 499513672 /nfs/dbraw/zinc/51/36/72/499513672.db2.gz VEXZWGSRBPXAMY-UHFFFAOYSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397576151 499564314 /nfs/dbraw/zinc/56/43/14/499564314.db2.gz CHSDNNONLLSYJX-UHFFFAOYSA-N 0 3 355.438 3.342 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000573237591 506150360 /nfs/dbraw/zinc/15/03/60/506150360.db2.gz QXYWGZPUGTXXBW-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN CCN(CCN1CCCCCC1)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000410866849 499682786 /nfs/dbraw/zinc/68/27/86/499682786.db2.gz VOQLXRHERVEWTA-UHFFFAOYSA-N 0 3 367.421 3.081 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000411701026 499779843 /nfs/dbraw/zinc/77/98/43/499779843.db2.gz XAJMOOGJFGVTEV-XUVXKRRUSA-N 0 3 367.449 3.426 20 5 FGBDHN CCCN(CCN1CCCC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411723695 499783313 /nfs/dbraw/zinc/78/33/13/499783313.db2.gz XLXNVAIZMXHBQN-MRXNPFEDSA-N 0 3 362.474 3.038 20 5 FGBDHN CC(C)(NCCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000411755725 499786733 /nfs/dbraw/zinc/78/67/33/499786733.db2.gz HNAXRPAGPGWHEN-UHFFFAOYSA-N 0 3 371.393 3.177 20 5 FGBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000412031544 499814730 /nfs/dbraw/zinc/81/47/30/499814730.db2.gz FXTBJIVUXTULIK-OAHLLOKOSA-N 0 3 361.442 3.129 20 5 FGBDHN CC(C)(C(=O)N1CCCN(CC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412307057 499843288 /nfs/dbraw/zinc/84/32/88/499843288.db2.gz GXYCZJNIPMHJTR-UHFFFAOYSA-N 0 3 359.470 3.207 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCN(CC2CCC2)CC1 ZINC000412317970 499844426 /nfs/dbraw/zinc/84/44/26/499844426.db2.gz XYKJJOSHBZANTF-UHFFFAOYSA-N 0 3 357.410 3.289 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412333176 499845444 /nfs/dbraw/zinc/84/54/44/499845444.db2.gz GPRNQNCRSNMKFW-GOEBONIOSA-N 0 3 361.442 3.081 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)CCCN2 ZINC000414974085 499850443 /nfs/dbraw/zinc/85/04/43/499850443.db2.gz CXWOPEVKPLXANB-CQSZACIVSA-N 0 3 368.437 3.460 20 5 FGBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)N(C)C)cc1 ZINC000412388100 499850872 /nfs/dbraw/zinc/85/08/72/499850872.db2.gz JACASWXVVPASQL-ZDUSSCGKSA-N 0 3 373.409 3.076 20 5 FGBDHN O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H](OCCN4CCCCC4)C3)c2c1 ZINC000413203131 499926273 /nfs/dbraw/zinc/92/62/73/499926273.db2.gz NKTZRSZVPFETRU-GOSISDBHSA-N 0 3 370.453 3.224 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1[N+](=O)[O-] ZINC000415967562 499934953 /nfs/dbraw/zinc/93/49/53/499934953.db2.gz DEKRTOQTUTUUBX-UHFFFAOYSA-N 0 3 370.409 3.134 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COCc2ccccc21 ZINC000417413980 500066714 /nfs/dbraw/zinc/06/67/14/500066714.db2.gz XZSZXPCQHKUWFV-ACJLOTCBSA-N 0 3 355.394 3.173 20 5 FGBDHN C[C@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000425457015 500111655 /nfs/dbraw/zinc/11/16/55/500111655.db2.gz KJUIRGPWEPESIO-CABCVRRESA-N 0 3 355.232 3.405 20 5 FGBDHN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429929758 500168490 /nfs/dbraw/zinc/16/84/90/500168490.db2.gz SQAJHXXJICKDHD-SFHVURJKSA-N 0 3 355.438 3.292 20 5 FGBDHN Cc1nc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000582318477 506185688 /nfs/dbraw/zinc/18/56/88/506185688.db2.gz VCUPMXXSOITEEQ-FQEVSTJZSA-N 0 3 352.438 3.401 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418645223 500300172 /nfs/dbraw/zinc/30/01/72/500300172.db2.gz CWPKBGLXMUHVAP-GOSISDBHSA-N 0 3 370.453 3.392 20 5 FGBDHN CCCC[C@H](CN)NC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000422900615 500314004 /nfs/dbraw/zinc/31/40/04/500314004.db2.gz JSUHABJCQFAPIS-GFCCVEGCSA-N 0 3 355.413 3.068 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)CCCN2 ZINC000423435350 500374246 /nfs/dbraw/zinc/37/42/46/500374246.db2.gz DPYSOOUNTLGUJJ-AWEZNQCLSA-N 0 3 368.437 3.460 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000423973162 500427376 /nfs/dbraw/zinc/42/73/76/500427376.db2.gz JKVPGAAMHGARJX-HNNXBMFYSA-N 0 3 359.451 3.309 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000423972521 500427442 /nfs/dbraw/zinc/42/74/42/500427442.db2.gz IDDUTMCNKOHPBQ-KRWDZBQOSA-N 0 3 359.451 3.066 20 5 FGBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000420587887 500475080 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ZINC000449082655 500920135 /nfs/dbraw/zinc/92/01/35/500920135.db2.gz OSRRRIXLBYBVGA-QFBILLFUSA-N 0 3 367.449 3.479 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000449328139 500978994 /nfs/dbraw/zinc/97/89/94/500978994.db2.gz IEEJQGZZTJQKFT-JKSUJKDBSA-N 0 3 371.437 3.126 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc2ccccc2n(C)c1=O ZINC000449338984 500981043 /nfs/dbraw/zinc/98/10/43/500981043.db2.gz WZECDPWNMXPHTO-CQSZACIVSA-N 0 3 351.406 3.168 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449648952 501049614 /nfs/dbraw/zinc/04/96/14/501049614.db2.gz VCISGWDQKFNYJC-BZUAXINKSA-N 0 3 367.449 3.482 20 5 FGBDHN Cc1ccc2nc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn2c1 ZINC000582459032 506233428 /nfs/dbraw/zinc/23/34/28/506233428.db2.gz UMFBGGLQXCFIEH-JKSUJKDBSA-N 0 3 354.414 3.021 20 5 FGBDHN CN(C)CCOc1cc(CNc2nccc3c2cccc3[N+](=O)[O-])ccn1 ZINC000450413276 501115009 /nfs/dbraw/zinc/11/50/09/501115009.db2.gz SPAZKPOOIJBNSR-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN O=c1[nH]ccc(N2CCN(Cc3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000596062922 506235937 /nfs/dbraw/zinc/23/59/37/506235937.db2.gz TYIUHXIIMXSWAK-UHFFFAOYSA-N 0 3 364.405 3.171 20 5 FGBDHN COc1ccc(CC[C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1O ZINC000446845065 501172117 /nfs/dbraw/zinc/17/21/17/501172117.db2.gz KPTAEVBWNMTXFL-LBPRGKRZSA-N 0 3 370.409 3.296 20 5 FGBDHN COC1(CO)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000447061615 501198729 /nfs/dbraw/zinc/19/87/29/501198729.db2.gz XCCDEGPWTMWQIV-UHFFFAOYSA-N 0 3 362.451 3.297 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCCCN2CCO)c2ccccc2)c1 ZINC000453270378 501303641 /nfs/dbraw/zinc/30/36/41/501303641.db2.gz SKNNAKXXIBHJGA-NHCUHLMSSA-N 0 3 369.465 3.121 20 5 FGBDHN CC(C)O[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451508352 501309505 /nfs/dbraw/zinc/30/95/05/501309505.db2.gz WJBUFXVZQAYNEI-GJZGRUSLSA-N 0 3 369.849 3.368 20 5 FGBDHN CO[C@@H]1COCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453337540 501317396 /nfs/dbraw/zinc/31/73/96/501317396.db2.gz YPESNJBEILSOGX-SXLOBPIMSA-N 0 3 356.422 3.325 20 5 FGBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000451603410 501335338 /nfs/dbraw/zinc/33/53/38/501335338.db2.gz ZINCJMYEOSHJJD-CABCVRRESA-N 0 3 350.415 3.205 20 5 FGBDHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000453608878 501360305 /nfs/dbraw/zinc/36/03/05/501360305.db2.gz IVIQUXCIQUOTRH-WMZOPIPTSA-N 0 3 350.415 3.061 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)c([N+](=O)[O-])cc1F ZINC000458257608 501405600 /nfs/dbraw/zinc/40/56/00/501405600.db2.gz DBRNRWPZEOAYNR-UHFFFAOYSA-N 0 3 361.373 3.365 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1[C@H]3Cc4cc(Cl)ccc4[C@@H]13)OCCO2 ZINC000598989417 506264418 /nfs/dbraw/zinc/26/44/18/506264418.db2.gz HPVZXTGQGKIOHA-GDIGMMSISA-N 0 3 372.808 3.447 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CN1CCCC1 ZINC000457023286 501636911 /nfs/dbraw/zinc/63/69/11/501636911.db2.gz GRIMJRKFFBVLBA-CYBMUJFWSA-N 0 3 351.472 3.066 20 5 FGBDHN CCN(CC)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000611708102 506265528 /nfs/dbraw/zinc/26/55/28/506265528.db2.gz JIJMTTMVKDJGAO-INIZCTEOSA-N 0 3 355.398 3.048 20 5 FGBDHN Cn1ccnc1[C@H](Cc1ccccc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602699262 506266317 /nfs/dbraw/zinc/26/63/17/506266317.db2.gz OZPCGPSISCCVFU-IBGZPJMESA-N 0 3 350.422 3.444 20 5 FGBDHN C[C@H](Cc1cccc(F)c1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778216 501712696 /nfs/dbraw/zinc/71/26/96/501712696.db2.gz ZJAVXDNZKGEJST-PBHICJAKSA-N 0 3 362.401 3.037 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000474380743 501814070 /nfs/dbraw/zinc/81/40/70/501814070.db2.gz UGDKLXCILBMPID-XCLFUZPHSA-N 0 3 370.405 3.170 20 5 FGBDHN Cc1cc(NC[C@H](C(C)C)N2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000470858781 501831028 /nfs/dbraw/zinc/83/10/28/501831028.db2.gz KUCLHJUFZNWPFQ-GOSISDBHSA-N 0 3 354.454 3.215 20 5 FGBDHN CC(C)O[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000464070888 501889540 /nfs/dbraw/zinc/88/95/40/501889540.db2.gz IXHSTHOKKGNOPI-HZPDHXFCSA-N 0 3 350.415 3.143 20 5 FGBDHN CCc1ccc([C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000478295384 501934747 /nfs/dbraw/zinc/93/47/47/501934747.db2.gz ZZQCQPGHAXAUQE-KRWDZBQOSA-N 0 3 372.425 3.054 20 5 FGBDHN CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000592883156 506290538 /nfs/dbraw/zinc/29/05/38/506290538.db2.gz XYZRRPDXMGVJGE-PBHICJAKSA-N 0 3 373.840 3.323 20 5 FGBDHN COc1cc(CNCC2(C(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475213371 502101209 /nfs/dbraw/zinc/10/12/09/502101209.db2.gz NBEFMVOTBPYBDS-UHFFFAOYSA-N 0 3 366.311 3.382 20 5 FGBDHN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000475221428 502103343 /nfs/dbraw/zinc/10/33/43/502103343.db2.gz XHVQCKPCPNCKEO-UHFFFAOYSA-N 0 3 360.336 3.219 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCC2CCCCC2)CC1 ZINC000602778194 506294742 /nfs/dbraw/zinc/29/47/42/506294742.db2.gz CQCMATOEOYGMFH-UHFFFAOYSA-N 0 3 350.463 3.161 20 5 FGBDHN COc1ccc(NC(=O)CCN2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479108083 502166199 /nfs/dbraw/zinc/16/61/99/502166199.db2.gz VAZIFXCHMXXTQG-MRXNPFEDSA-N 0 3 369.421 3.249 20 5 FGBDHN CCC(CC)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000482866256 502202458 /nfs/dbraw/zinc/20/24/58/502202458.db2.gz LHQBOXKRKSZPFR-UHFFFAOYSA-N 0 3 365.430 3.409 20 5 FGBDHN COc1cc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])cc1C ZINC000596189099 506299957 /nfs/dbraw/zinc/29/99/57/506299957.db2.gz FCTSISBFUQKWND-KRWDZBQOSA-N 0 3 371.437 3.091 20 5 FGBDHN CC[N@H+](CCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)CC(C)C ZINC000596186347 506300216 /nfs/dbraw/zinc/30/02/16/506300216.db2.gz UQNKKKYGHXFTNC-UHFFFAOYSA-N 0 3 350.463 3.280 20 5 FGBDHN CC[N@@H+](CCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)CC(C)C ZINC000596186347 506300221 /nfs/dbraw/zinc/30/02/21/506300221.db2.gz UQNKKKYGHXFTNC-UHFFFAOYSA-N 0 3 350.463 3.280 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475582926 502219091 /nfs/dbraw/zinc/21/90/91/502219091.db2.gz UWGUPZLSEMYWDE-QGZVFWFLSA-N 0 3 370.405 3.136 20 5 FGBDHN COc1c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000475609445 502226810 /nfs/dbraw/zinc/22/68/10/502226810.db2.gz RECLQDUCUDNGPN-CQSZACIVSA-N 0 3 371.437 3.463 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000462193484 502343717 /nfs/dbraw/zinc/34/37/17/502343717.db2.gz QYWVFCNMAYXIER-UGSOOPFHSA-N 0 3 373.840 3.499 20 5 FGBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1=CCN(C)CC1 ZINC000462701871 502539551 /nfs/dbraw/zinc/53/95/51/502539551.db2.gz HVUVFKVLINFJQV-HNNXBMFYSA-N 0 3 368.437 3.053 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000484155433 502587894 /nfs/dbraw/zinc/58/78/94/502587894.db2.gz GMVQIOUAIILERD-UHFFFAOYSA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073967 502619504 /nfs/dbraw/zinc/61/95/04/502619504.db2.gz MQPARTKIHCEQRO-HUUCEWRRSA-N 0 3 362.474 3.250 20 5 FGBDHN CNc1c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000462985414 502651160 /nfs/dbraw/zinc/65/11/60/502651160.db2.gz HUPJENUNRPSOIG-AWEZNQCLSA-N 0 3 370.453 3.496 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000602867328 506331064 /nfs/dbraw/zinc/33/10/64/506331064.db2.gz FLJDMTKPZXANPA-BZSNNMDCSA-N 0 3 356.426 3.094 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000588766633 506332410 /nfs/dbraw/zinc/33/24/10/506332410.db2.gz NXDWGBUNHRGLGT-DOMZBBRYSA-N 0 3 361.398 3.056 20 5 FGBDHN C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771326 506333128 /nfs/dbraw/zinc/33/31/28/506333128.db2.gz WLARBGDKLXVRGX-FZKQIMNGSA-N 0 3 357.385 3.127 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047572 502770072 /nfs/dbraw/zinc/77/00/72/502770072.db2.gz RTWHHNKFJKNVBP-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000485005893 502798245 /nfs/dbraw/zinc/79/82/45/502798245.db2.gz PVQFWMPVQUYUTG-UHFFFAOYSA-N 0 3 365.474 3.319 20 5 FGBDHN COC(=O)[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)[C@H]1C(C)C ZINC000488753381 502802238 /nfs/dbraw/zinc/80/22/38/502802238.db2.gz QVRVBZCZEBRNIX-KSSFIOAISA-N 0 3 357.410 3.475 20 5 FGBDHN Nc1c(C(=O)N(CCN2CCCCCC2)C2CCC2)cccc1[N+](=O)[O-] ZINC000488879737 502830957 /nfs/dbraw/zinc/83/09/57/502830957.db2.gz MIJZEVHCGZGVDR-UHFFFAOYSA-N 0 3 360.458 3.048 20 5 FGBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000513179539 502870512 /nfs/dbraw/zinc/87/05/12/502870512.db2.gz ZTHFIHWDLNJEBU-GFCCVEGCSA-N 0 3 353.382 3.151 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000513716106 503007575 /nfs/dbraw/zinc/00/75/75/503007575.db2.gz XIJKDEOUAJKDFZ-VXGBXAGGSA-N 0 3 371.384 3.189 20 5 FGBDHN COc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)cccc1[N+](=O)[O-] ZINC000510522622 503132278 /nfs/dbraw/zinc/13/22/78/503132278.db2.gz IERGKUGCSXSKFA-KSSFIOAISA-N 0 3 371.437 3.333 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000506635719 503146614 /nfs/dbraw/zinc/14/66/14/503146614.db2.gz MCQZVTRMDRZFHE-CHWSQXEVSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510935196 503221203 /nfs/dbraw/zinc/22/12/03/503221203.db2.gz RZSOECZPVZEEES-APWZRJJASA-N 0 3 367.449 3.479 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CCF)CC1 ZINC000602948297 506362290 /nfs/dbraw/zinc/36/22/90/506362290.db2.gz PXSRDLDEFKNPOY-UHFFFAOYSA-N 0 3 353.394 3.004 20 5 FGBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000502965417 503315395 /nfs/dbraw/zinc/31/53/95/503315395.db2.gz OMRMOKYXUPUUIR-HNNXBMFYSA-N 0 3 364.405 3.080 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507597776 503329167 /nfs/dbraw/zinc/32/91/67/503329167.db2.gz SWFABZWCXNJHTN-CRAIPNDOSA-N 0 3 353.422 3.469 20 5 FGBDHN Cc1c(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000503083270 503343637 /nfs/dbraw/zinc/34/36/37/503343637.db2.gz NEANTYCSKFDZFY-KRWDZBQOSA-N 0 3 374.416 3.144 20 5 FGBDHN Cn1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213608 503356361 /nfs/dbraw/zinc/35/63/61/503356361.db2.gz NYEDOAPBVYNFRL-ROUUACIJSA-N 0 3 372.469 3.224 20 5 FGBDHN CN(CCc1ccc(Cl)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492396924 503366972 /nfs/dbraw/zinc/36/69/72/503366972.db2.gz DNTSNFJDNAXUEP-KRWDZBQOSA-N 0 3 364.829 3.162 20 5 FGBDHN CCC[C@]1(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000512285626 503509675 /nfs/dbraw/zinc/50/96/75/503509675.db2.gz JTWKWFHENZVBRK-KRWDZBQOSA-N 0 3 374.384 3.296 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(C(F)F)cc1 ZINC000516564417 503538204 /nfs/dbraw/zinc/53/82/04/503538204.db2.gz FANJDDLDBFCTIG-CQSZACIVSA-N 0 3 352.337 3.062 20 5 FGBDHN CC[C@H]1CCCCN1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000500412060 503618278 /nfs/dbraw/zinc/61/82/78/503618278.db2.gz BPMSXAHRHHSOEA-INIZCTEOSA-N 0 3 360.458 3.163 20 5 FGBDHN O=C1C[C@]2(CN1)CCCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000536661431 503666786 /nfs/dbraw/zinc/66/67/86/503666786.db2.gz PKAHUBOZOVLUDS-IBGZPJMESA-N 0 3 371.462 3.425 20 5 FGBDHN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000517599979 503781475 /nfs/dbraw/zinc/78/14/75/503781475.db2.gz SRQFAWHZDADJMA-MDZRGWNJSA-N 0 3 371.485 3.128 20 5 FGBDHN CC(C)n1cc([C@@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000543505885 503797377 /nfs/dbraw/zinc/79/73/77/503797377.db2.gz SMRVLBUJCWWETG-CYBMUJFWSA-N 0 3 373.413 3.021 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000540511457 503800371 /nfs/dbraw/zinc/80/03/71/503800371.db2.gz FNNBRTAQHAAECD-AWEZNQCLSA-N 0 3 363.458 3.234 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000543639028 503837733 /nfs/dbraw/zinc/83/77/33/503837733.db2.gz YHUWOOOYKBSYHL-AWEZNQCLSA-N 0 3 358.373 3.130 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000543642948 503838550 /nfs/dbraw/zinc/83/85/50/503838550.db2.gz JPVDVSOYONIJKY-QGZVFWFLSA-N 0 3 360.389 3.467 20 5 FGBDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000537833281 504057815 /nfs/dbraw/zinc/05/78/15/504057815.db2.gz JVYLFPNXAZOISX-IEBWSBKVSA-N 0 3 355.438 3.198 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534247832 504083275 /nfs/dbraw/zinc/08/32/75/504083275.db2.gz FCJAKKLTCHERQO-UHFFFAOYSA-N 0 3 352.394 3.068 20 5 FGBDHN CN(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530857676 504110485 /nfs/dbraw/zinc/11/04/85/504110485.db2.gz YJZUBUAKRVLARM-INIZCTEOSA-N 0 3 362.817 3.062 20 5 FGBDHN CC(C)[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000544574383 504179772 /nfs/dbraw/zinc/17/97/72/504179772.db2.gz SOBZNYKVWUQJRR-MPGHIAIKSA-N 0 3 368.499 3.419 20 5 FGBDHN COc1ccc(NC(=O)CCN[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000541590439 504190876 /nfs/dbraw/zinc/19/08/76/504190876.db2.gz KRGUOPFZKJZGCE-LJQANCHMSA-N 0 3 370.409 3.068 20 5 FGBDHN COc1cc(CN[C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541649183 504212063 /nfs/dbraw/zinc/21/20/63/504212063.db2.gz JUTALHAAAIRKDQ-VXGBXAGGSA-N 0 3 374.384 3.152 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541948397 504312642 /nfs/dbraw/zinc/31/26/42/504312642.db2.gz HNEAUPXKTZHMRC-CQSZACIVSA-N 0 3 370.327 3.316 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1 ZINC000542277125 504435002 /nfs/dbraw/zinc/43/50/02/504435002.db2.gz KCWYFYHLDWTCCC-MOPGFXCFSA-N 0 3 370.449 3.432 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccnc1)C1CC1 ZINC000539050430 504457582 /nfs/dbraw/zinc/45/75/82/504457582.db2.gz LCOZFUVSRSAPRI-BFUOFWGJSA-N 0 3 354.410 3.448 20 5 FGBDHN COCC1(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000531957187 504486933 /nfs/dbraw/zinc/48/69/33/504486933.db2.gz CDFFEAUIIBMTQY-UHFFFAOYSA-N 0 3 372.421 3.451 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H]3CN(C4CC4)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321895 504610183 /nfs/dbraw/zinc/61/01/83/504610183.db2.gz VARRLEXYQOWKDY-SCLBCKFNSA-N 0 3 371.437 3.436 20 5 FGBDHN CN(CCCOc1ccc2c(c1)OCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000548936221 504627576 /nfs/dbraw/zinc/62/75/76/504627576.db2.gz OCEOWJHRLFPJPK-UHFFFAOYSA-N 0 3 358.394 3.267 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000536314123 504695155 /nfs/dbraw/zinc/69/51/55/504695155.db2.gz OPQKWRMDKZDDGD-UHFFFAOYSA-N 0 3 352.394 3.319 20 5 FGBDHN CN(C)CCN1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000552938100 504791466 /nfs/dbraw/zinc/79/14/66/504791466.db2.gz ZBMKBVOZCBBSGO-UHFFFAOYSA-N 0 3 361.273 3.340 20 5 FGBDHN CCOc1cc(CNC2(CC(=O)OC)CCCCC2)ccc1[N+](=O)[O-] ZINC000562359699 504793949 /nfs/dbraw/zinc/79/39/49/504793949.db2.gz ZUHDMQJMLCTFEG-UHFFFAOYSA-N 0 3 350.415 3.349 20 5 FGBDHN NC(=O)c1cccc(NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000552998160 504800782 /nfs/dbraw/zinc/80/07/82/504800782.db2.gz UYRIZLGCVVGJKN-ZDUSSCGKSA-N 0 3 374.466 3.079 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000549418085 504817102 /nfs/dbraw/zinc/81/71/02/504817102.db2.gz UQKUURAPORHYAA-QLFBSQMISA-N 0 3 363.458 3.090 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000553062773 504817502 /nfs/dbraw/zinc/81/75/02/504817502.db2.gz JEMXOFJBHYTETM-IBGZPJMESA-N 0 3 359.470 3.393 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000553336300 504887444 /nfs/dbraw/zinc/88/74/44/504887444.db2.gz NPIMFGGXDCBJRU-DGCLKSJQSA-N 0 3 354.248 3.420 20 5 FGBDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000553477862 504926414 /nfs/dbraw/zinc/92/64/14/504926414.db2.gz OQNHBOMXKGYJLP-KTJYFRGRSA-N 0 3 369.849 3.224 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000557582732 505174775 /nfs/dbraw/zinc/17/47/75/505174775.db2.gz VJFZNOIOYIQVHB-UHFFFAOYSA-N 0 3 351.472 3.021 20 5 FGBDHN Cc1cnc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000557734962 505216527 /nfs/dbraw/zinc/21/65/27/505216527.db2.gz HPNSNWHATMVLAP-FQEVSTJZSA-N 0 3 352.438 3.401 20 5 FGBDHN Cc1cnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000557734964 505216780 /nfs/dbraw/zinc/21/67/80/505216780.db2.gz HPNSNWHATMVLAP-HXUWFJFHSA-N 0 3 352.438 3.401 20 5 FGBDHN CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551573150 505257375 /nfs/dbraw/zinc/25/73/75/505257375.db2.gz MLVITCWTNMXMJY-AFAVFJNCSA-N 0 3 350.459 3.065 20 5 FGBDHN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H](N)c1ccccc1 ZINC000563889907 505268129 /nfs/dbraw/zinc/26/81/29/505268129.db2.gz YRTHYRDKPMLIPP-AUUYWEPGSA-N 0 3 353.422 3.422 20 5 FGBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000566918396 505310901 /nfs/dbraw/zinc/31/09/01/505310901.db2.gz GKCSMIHCYGKPGJ-IBGZPJMESA-N 0 3 371.437 3.415 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000558174784 505327013 /nfs/dbraw/zinc/32/70/13/505327013.db2.gz KYKFFPZWHDROSO-FQEVSTJZSA-N 0 3 374.412 3.040 20 5 FGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000555080466 505344458 /nfs/dbraw/zinc/34/44/58/505344458.db2.gz JKDKLBBLLLMPAT-OAHLLOKOSA-N 0 3 363.458 3.378 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN1CCCCCC1)C(C)C ZINC000564198874 505350535 /nfs/dbraw/zinc/35/05/35/505350535.db2.gz GRBSHZQATGMPLX-UHFFFAOYSA-N 0 3 363.458 3.330 20 5 FGBDHN Cn1cc(CNCCCC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567188455 505389424 /nfs/dbraw/zinc/38/94/24/505389424.db2.gz SBLMZNPIFKSJHJ-UHFFFAOYSA-N 0 3 374.441 3.207 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746753 505424527 /nfs/dbraw/zinc/42/45/27/505424527.db2.gz NCQVRVSAQNBRAK-HDMKZQKVSA-N 0 3 359.470 3.061 20 5 FGBDHN COc1ccccc1[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000564472277 505428588 /nfs/dbraw/zinc/42/85/88/505428588.db2.gz YSJRQXFORKMEII-IEBWSBKVSA-N 0 3 355.438 3.483 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561763285 505430769 /nfs/dbraw/zinc/43/07/69/505430769.db2.gz ZAGDLWWFPSQUQK-HWWQOWPSSA-N 0 3 351.834 3.051 20 5 FGBDHN CCOc1cc(N2CCN(CC3(SC)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000564536102 505445857 /nfs/dbraw/zinc/44/58/57/505445857.db2.gz CTERGNUHAXJQRI-UHFFFAOYSA-N 0 3 365.499 3.401 20 5 FGBDHN CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000561955910 505477363 /nfs/dbraw/zinc/47/73/63/505477363.db2.gz AHMWWGNJEUDASF-LPHOPBHVSA-N 0 3 374.437 3.426 20 5 FGBDHN CCSc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000567711947 505546336 /nfs/dbraw/zinc/54/63/36/505546336.db2.gz WYZILEPKFLHSNM-UHFFFAOYSA-N 0 3 360.439 3.220 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000612029184 506400311 /nfs/dbraw/zinc/40/03/11/506400311.db2.gz PAEHDZPNMTYEJN-GOEBONIOSA-N 0 3 360.410 3.084 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000589163280 506463884 /nfs/dbraw/zinc/46/38/84/506463884.db2.gz JPPMWEOOGTVTMH-UHFFFAOYSA-N 0 3 366.421 3.416 20 5 FGBDHN Cc1cccc2c1OC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000589351609 506526175 /nfs/dbraw/zinc/52/61/75/506526175.db2.gz XTZWZPQKZQMJCF-WMLDXEAASA-N 0 3 369.421 3.214 20 5 FGBDHN CCOc1ccc(C(=O)Nc2cc(CN(C)C)ccc2OC)cc1[N+](=O)[O-] ZINC000603589890 506567249 /nfs/dbraw/zinc/56/72/49/506567249.db2.gz LSQOWRFJJDUFMN-UHFFFAOYSA-N 0 3 373.409 3.316 20 5 FGBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000603661724 506589025 /nfs/dbraw/zinc/58/90/25/506589025.db2.gz UEBOIXOZAPMCCM-KRWDZBQOSA-N 0 3 358.394 3.136 20 5 FGBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000603838824 506630488 /nfs/dbraw/zinc/63/04/88/506630488.db2.gz MRNHJLGFHXTGDR-HNNXBMFYSA-N 0 3 358.394 3.136 20 5 FGBDHN CN1CCN(CCCNc2ccsc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000604432657 506830688 /nfs/dbraw/zinc/83/06/88/506830688.db2.gz KNNZAPCFLNFJQE-KRWDZBQOSA-N 0 3 360.483 3.447 20 5 FGBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590539194 506854057 /nfs/dbraw/zinc/85/40/57/506854057.db2.gz WAQBHGMKYVPAIJ-CQSZACIVSA-N 0 3 374.466 3.275 20 5 FGBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000583604444 506872952 /nfs/dbraw/zinc/87/29/52/506872952.db2.gz XBKBLJARNIKPJO-UHFFFAOYSA-N 0 3 359.430 3.076 20 5 FGBDHN O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000590602739 506876211 /nfs/dbraw/zinc/87/62/11/506876211.db2.gz WIVKFHIDKMMGIV-HNNXBMFYSA-N 0 3 354.410 3.198 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609447485 506885459 /nfs/dbraw/zinc/88/54/59/506885459.db2.gz PYVNOKJSUHZQLP-UHFFFAOYSA-N 0 3 359.401 3.458 20 5 FGBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)(F)CC1 ZINC000594041207 506903202 /nfs/dbraw/zinc/90/32/02/506903202.db2.gz AJVZGLQINWIXCH-LBPRGKRZSA-N 0 3 367.396 3.288 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566844 506924287 /nfs/dbraw/zinc/92/42/87/506924287.db2.gz RMRXVBDHVYSLKA-UHFFFAOYSA-N 0 3 369.421 3.344 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198705 507002703 /nfs/dbraw/zinc/00/27/03/507002703.db2.gz VDMUJRFDEPEFPT-UKRRQHHQSA-N 0 3 371.359 3.360 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594231112 507027704 /nfs/dbraw/zinc/02/77/04/507027704.db2.gz AIUGHQLTALZUOZ-USXIJHARSA-N 0 3 360.458 3.280 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916496 507048510 /nfs/dbraw/zinc/04/85/10/507048510.db2.gz UMLDKHSQPHQJCW-VQIMIIECSA-N 0 3 374.412 3.038 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284481 507063521 /nfs/dbraw/zinc/06/35/21/507063521.db2.gz YXHADVCHKGUCDW-PKOBYXMFSA-N 0 3 372.469 3.286 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284407 507063771 /nfs/dbraw/zinc/06/37/71/507063771.db2.gz XCOAITLUWUPADP-OALUTQOASA-N 0 3 372.469 3.286 20 5 FGBDHN COCC[C@H]1CCCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613548317 507148383 /nfs/dbraw/zinc/14/83/83/507148383.db2.gz NFBDMDFIZSYDAF-CQSZACIVSA-N 0 3 350.415 3.005 20 5 FGBDHN CC1(NCc2cc(I)cc([N+](=O)[O-])c2)CC=CC1 ZINC000594513351 507164857 /nfs/dbraw/zinc/16/48/57/507164857.db2.gz XVMHVSBZLUGPIQ-UHFFFAOYSA-N 0 3 358.179 3.398 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000597921934 507176638 /nfs/dbraw/zinc/17/66/38/507176638.db2.gz IDGZJJMKJWOCFD-HNNXBMFYSA-N 0 3 368.437 3.259 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597925463 507178585 /nfs/dbraw/zinc/17/85/85/507178585.db2.gz PXRJYXXYIGDVFK-CHWSQXEVSA-N 0 3 351.472 3.064 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000610433344 507237751 /nfs/dbraw/zinc/23/77/51/507237751.db2.gz CNMRAXNNDJRQGX-IBGZPJMESA-N 0 3 355.438 3.310 20 5 FGBDHN CN1CCC(n2cc(Nc3ccc4cnccc4c3[N+](=O)[O-])cn2)CC1 ZINC000601225190 507301980 /nfs/dbraw/zinc/30/19/80/507301980.db2.gz DKFAUXHRFCFWCY-UHFFFAOYSA-N 0 3 352.398 3.350 20 5 FGBDHN CN1CCC(n2cc(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)cn2)CC1 ZINC000601226233 507304407 /nfs/dbraw/zinc/30/44/07/507304407.db2.gz MRFCZTCWQSQJTC-UHFFFAOYSA-N 0 3 367.356 3.403 20 5 FGBDHN CSc1cccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220472 507324513 /nfs/dbraw/zinc/32/45/13/507324513.db2.gz PPFDVXOWMLVHOU-ZDUSSCGKSA-N 0 3 363.483 3.454 20 5 FGBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591685990 507331790 /nfs/dbraw/zinc/33/17/90/507331790.db2.gz IFFXJVLSKXTBQZ-RYUDHWBXSA-N 0 3 367.446 3.059 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(S(C)(=O)=O)CCCCC1 ZINC000594975158 507338552 /nfs/dbraw/zinc/33/85/52/507338552.db2.gz ROQWVPPGQJMZKP-RVDMUPIBSA-N 0 3 366.483 3.335 20 5 FGBDHN COc1cc(C[NH2+]CCc2cn(C)c3ccccc23)c([N+](=O)[O-])cc1[O-] ZINC000594983619 507342161 /nfs/dbraw/zinc/34/21/61/507342161.db2.gz GQTHLLZYVLOMAG-UHFFFAOYSA-N 0 3 355.394 3.133 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000610680981 507344823 /nfs/dbraw/zinc/34/48/23/507344823.db2.gz KHEMFPQZMPTONR-GOSISDBHSA-N 0 3 352.394 3.109 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(OCCN(C)C)cc1 ZINC000595011275 507354265 /nfs/dbraw/zinc/35/42/65/507354265.db2.gz LITJEVWTOIBXOF-HNNXBMFYSA-N 0 3 373.453 3.395 20 5 FGBDHN COc1cc(CNCC(C)(C)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OC ZINC000610717452 507361794 /nfs/dbraw/zinc/36/17/94/507361794.db2.gz SBDIKDZLJVCESV-KRWDZBQOSA-N 0 3 352.431 3.297 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595074555 507380275 /nfs/dbraw/zinc/38/02/75/507380275.db2.gz WZIRBZCGZLCZNV-MDAKUNBXSA-N 0 3 354.472 3.334 20 5 FGBDHN CCc1cccc2c1OCC[C@H]2NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584585456 507426763 /nfs/dbraw/zinc/42/67/63/507426763.db2.gz FGMXBWWAOLOJEM-VQIMIIECSA-N 0 3 372.421 3.010 20 5 FGBDHN COC(=O)c1ccnc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598589905 507508814 /nfs/dbraw/zinc/50/88/14/507508814.db2.gz VPQFOLQETYFXFU-HIFRSBDPSA-N 0 3 370.409 3.024 20 5 FGBDHN Cc1noc(CN[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000595473299 507516384 /nfs/dbraw/zinc/51/63/84/507516384.db2.gz ABMGRYDEYCTVGD-QGZVFWFLSA-N 0 3 358.442 3.282 20 5 FGBDHN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000595476640 507518946 /nfs/dbraw/zinc/51/89/46/507518946.db2.gz MPWTXLXXESBLBT-NSHDSACASA-N 0 3 363.355 3.486 20 5 FGBDHN O=[N+]([O-])c1ccc(CCNCc2ccnn2CCc2ccccc2)cc1 ZINC000598634311 507525453 /nfs/dbraw/zinc/52/54/53/507525453.db2.gz QXDGXDZITCSMEX-UHFFFAOYSA-N 0 3 350.422 3.366 20 5 FGBDHN O=[N+]([O-])c1cccnc1N1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000595523720 507543575 /nfs/dbraw/zinc/54/35/75/507543575.db2.gz LBPMBBYTORGYEU-QGZVFWFLSA-N 0 3 352.438 3.232 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ccco2)CC1 ZINC000595616976 507593139 /nfs/dbraw/zinc/59/31/39/507593139.db2.gz TWZGAXFMQBXWKW-UHFFFAOYSA-N 0 3 373.409 3.405 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595665534 507619533 /nfs/dbraw/zinc/61/95/33/507619533.db2.gz VOOPATNYWVCZIZ-SJLPKXTDSA-N 0 3 374.485 3.357 20 5 FGBDHN CN1CCO[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]21 ZINC000585767640 507623377 /nfs/dbraw/zinc/62/33/77/507623377.db2.gz XREZOFLOWIGMEU-ROUUACIJSA-N 0 3 373.478 3.228 20 5 FGBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@@]1(O)CCOC1 ZINC000592398120 507638941 /nfs/dbraw/zinc/63/89/41/507638941.db2.gz OTMLCRULDHZLPA-PZJWPPBQSA-N 0 3 370.449 3.451 20 5 FGBDHN C[C@@H]1C[C@H]1c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602517905 507735118 /nfs/dbraw/zinc/73/51/18/507735118.db2.gz KUTAMUFFFKBBFX-CXAGYDPISA-N 0 3 356.426 3.465 20 5 FGBDHN CCC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccn1 ZINC000602539024 507742857 /nfs/dbraw/zinc/74/28/57/507742857.db2.gz PVEFEEVBBMXKLX-SFHVURJKSA-N 0 3 355.442 3.485 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602554463 507748388 /nfs/dbraw/zinc/74/83/88/507748388.db2.gz YWCQWWJACWZVSA-GFCCVEGCSA-N 0 3 373.434 3.196 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824412669 608282127 /nfs/dbraw/zinc/28/21/27/608282127.db2.gz DHBIKAAGEOATSR-LBPRGKRZSA-N 0 3 370.388 3.025 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824412669 608282128 /nfs/dbraw/zinc/28/21/28/608282128.db2.gz DHBIKAAGEOATSR-LBPRGKRZSA-N 0 3 370.388 3.025 20 5 FGBDHN CC1(C)C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132525143 700828525 /nfs/dbraw/zinc/82/85/25/700828525.db2.gz QRFKZDDDZDDOSA-CYBMUJFWSA-N 0 3 355.822 3.122 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000182083000 705825116 /nfs/dbraw/zinc/82/51/16/705825116.db2.gz VKZRFOVEPREHMW-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN C[S@@](=O)C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183130586 705878243 /nfs/dbraw/zinc/87/82/43/705878243.db2.gz OHJFCFDCFWMGID-AVRWGWEMSA-N 0 3 362.451 3.073 20 5 FGBDHN COCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[C@H](C)C1 ZINC000616742544 714597093 /nfs/dbraw/zinc/59/70/93/714597093.db2.gz DLTGWCBKRWPCFE-DZGCQCFKSA-N 0 3 350.415 3.003 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccccc2OC(F)(F)F)c1 ZINC000749665854 722736110 /nfs/dbraw/zinc/73/61/10/722736110.db2.gz YEJOJMWFSFNRHM-CQSZACIVSA-N 0 3 356.300 3.317 20 5 FGBDHN O=[N+]([O-])c1cc(CN2CCC(CCN3CCOCC3)CC2)ccc1Cl ZINC000768543031 723661187 /nfs/dbraw/zinc/66/11/87/723661187.db2.gz VPSQZQMYDSFJJB-UHFFFAOYSA-N 0 3 367.877 3.183 20 5 FGBDHN CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831343013 729634735 /nfs/dbraw/zinc/63/47/35/729634735.db2.gz FPWVCCFKLTWPMY-LGFNAOKASA-N 0 3 369.849 3.368 20 5 FGBDHN COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872787 730904975 /nfs/dbraw/zinc/90/49/75/730904975.db2.gz OHYXEYBRNYBCDT-OTYXRUKQSA-N 0 3 367.354 3.237 20 5 FGBDHN CC([C@@H](OC(=O)CCn1cc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878130 730905427 /nfs/dbraw/zinc/90/54/27/730905427.db2.gz UMLNNJLALBZMNS-MEBBXXQBSA-N 0 3 355.753 3.015 20 5 FGBDHN COC(=O)N1CCC([C@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872063508 735583207 /nfs/dbraw/zinc/58/32/07/735583207.db2.gz QTTPRQPLWWRXTL-RYUDHWBXSA-N 0 3 353.394 3.251 20 5 FGBDHN CC([C@H](OC(=O)Cc1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000873544057 735775751 /nfs/dbraw/zinc/77/57/51/735775751.db2.gz BJWHSLNVMNYAMW-HWPZZCPQSA-N 0 3 352.749 3.366 20 5 FGBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cc(F)ccc3Br)C2)c1 ZINC000876947650 736166541 /nfs/dbraw/zinc/16/65/41/736166541.db2.gz DEPNUZYIVBVQPH-UHFFFAOYSA-N 0 3 369.194 3.186 20 5 FGBDHN CSCc1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000886755505 739292194 /nfs/dbraw/zinc/29/21/94/739292194.db2.gz KNFIMUKIEQRWSQ-JSGCOSHPSA-N 0 3 361.471 3.077 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nc2c(s1)COCC2)C1CC1 ZINC000927121974 759898975 /nfs/dbraw/zinc/89/89/75/759898975.db2.gz QIRMOAYTBSFBAB-OAHLLOKOSA-N 0 3 359.451 3.235 20 5 FGBDHN C[C@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccc([N+](=O)[O-])c1 ZINC000376109060 257444497 /nfs/dbraw/zinc/44/44/97/257444497.db2.gz AWBYBEILYMZKHD-XZJROXQQSA-N 0 3 358.398 3.426 20 5 FGBDHN CC1CCC(N2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000576691800 505571560 /nfs/dbraw/zinc/57/15/60/505571560.db2.gz GTSVHIAYDBAMTC-UHFFFAOYSA-N 0 3 360.458 3.001 20 5 FGBDHN Cc1c(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000573759482 505612400 /nfs/dbraw/zinc/61/24/00/505612400.db2.gz QLLDSBXWXNURCE-HXUWFJFHSA-N 0 3 358.413 3.469 20 5 FGBDHN Cc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000027938978 493767882 /nfs/dbraw/zinc/76/78/82/493767882.db2.gz FZRXRKVQSSXJNH-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN Cc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)c1 ZINC000048364653 493820833 /nfs/dbraw/zinc/82/08/33/493820833.db2.gz QKYLGQNMFFUGQO-UHFFFAOYSA-N 0 3 368.437 3.001 20 5 FGBDHN CC(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000029197797 493825510 /nfs/dbraw/zinc/82/55/10/493825510.db2.gz WUSKNRPYMDGVQL-LJQANCHMSA-N 0 3 371.393 3.249 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000081551949 493914452 /nfs/dbraw/zinc/91/44/52/493914452.db2.gz CCTGWFWWSZPSGV-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000031519769 493945916 /nfs/dbraw/zinc/94/59/16/493945916.db2.gz LXJNNBTYDUHAQD-SFHVURJKSA-N 0 3 371.437 3.091 20 5 FGBDHN Cc1ccccc1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051449395 493970488 /nfs/dbraw/zinc/97/04/88/493970488.db2.gz GQUBLHRNGYBQQI-PXNSSMCTSA-N 0 3 356.422 3.480 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000063485939 494059501 /nfs/dbraw/zinc/05/95/01/494059501.db2.gz MSUQEAAWSGKATE-UHFFFAOYSA-N 0 3 369.465 3.160 20 5 FGBDHN COc1cc2c(cc1OC)CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000039341455 494121263 /nfs/dbraw/zinc/12/12/63/494121263.db2.gz AGLWZNMDILJORK-UHFFFAOYSA-N 0 3 356.422 3.255 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000054226290 494210507 /nfs/dbraw/zinc/21/05/07/494210507.db2.gz SWFABZWCXNJHTN-YJBOKZPZSA-N 0 3 353.422 3.469 20 5 FGBDHN Cc1ccccc1CN1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534279 494210874 /nfs/dbraw/zinc/21/08/74/494210874.db2.gz HYLHQMUMGZLHDB-UHFFFAOYSA-N 0 3 369.465 3.490 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H](C(C)C)C1 ZINC000072837081 494261717 /nfs/dbraw/zinc/26/17/17/494261717.db2.gz CXZYNDOVYDYROA-INIZCTEOSA-N 0 3 367.471 3.005 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000055404540 494338293 /nfs/dbraw/zinc/33/82/93/494338293.db2.gz UGJSZQHOJWLAPO-CHWSQXEVSA-N 0 3 351.472 3.167 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000055749609 494400786 /nfs/dbraw/zinc/40/07/86/494400786.db2.gz QSMCSZQSFSFMTR-MGPQQGTHSA-N 0 3 365.499 3.413 20 5 FGBDHN CCCOc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000571388384 505721958 /nfs/dbraw/zinc/72/19/58/505721958.db2.gz QREZCCNLOOLMKF-HOTGVXAUSA-N 0 3 359.430 3.249 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067273447 494505525 /nfs/dbraw/zinc/50/55/25/494505525.db2.gz WRZSZTFOETWNEL-MRXNPFEDSA-N 0 3 374.485 3.045 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 ZINC000067527916 494558803 /nfs/dbraw/zinc/55/88/03/494558803.db2.gz KQSUPTAYQFTCKX-UHFFFAOYSA-N 0 3 368.437 3.059 20 5 FGBDHN COc1cc(CN2CCC[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092456027 494632101 /nfs/dbraw/zinc/63/21/01/494632101.db2.gz WRBPLVXIVVUVNQ-SFHVURJKSA-N 0 3 372.421 3.139 20 5 FGBDHN Cc1cnc(N(C)CCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000092696266 494713827 /nfs/dbraw/zinc/71/38/27/494713827.db2.gz QBYHFAYNRKMQSB-UHFFFAOYSA-N 0 3 355.442 3.436 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000126408277 494740580 /nfs/dbraw/zinc/74/05/80/494740580.db2.gz NRXWVCUFTLXBFI-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN CCOc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026223089 494810467 /nfs/dbraw/zinc/81/04/67/494810467.db2.gz HKPVIQFXNCZSBR-UHFFFAOYSA-N 0 3 357.410 3.454 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc2c(c1)OCO2 ZINC000026257830 494814161 /nfs/dbraw/zinc/81/41/61/494814161.db2.gz KYBTXJVDOXTXRM-UHFFFAOYSA-N 0 3 371.393 3.093 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000027749769 494884390 /nfs/dbraw/zinc/88/43/90/494884390.db2.gz WRTJLGACIQJOCN-ZIAGYGMSSA-N 0 3 351.472 3.066 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121904027 494885914 /nfs/dbraw/zinc/88/59/14/494885914.db2.gz OTWSDAPHQLZZCB-KRWDZBQOSA-N 0 3 360.458 3.143 20 5 FGBDHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000121942923 494896345 /nfs/dbraw/zinc/89/63/45/494896345.db2.gz BAYPLNAYCCRQIZ-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN Cc1ccc(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000117338802 494912182 /nfs/dbraw/zinc/91/21/82/494912182.db2.gz DEWIRFZCVKCQPV-UHFFFAOYSA-N 0 3 361.423 3.395 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC[C@H](C)C1 ZINC000132780423 494923846 /nfs/dbraw/zinc/92/38/46/494923846.db2.gz AOPLFGFTBMVDFA-HOTGVXAUSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132821382 494929360 /nfs/dbraw/zinc/92/93/60/494929360.db2.gz XCPMRVHBZQGHDF-HNNXBMFYSA-N 0 3 360.458 3.143 20 5 FGBDHN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110352842 494972597 /nfs/dbraw/zinc/97/25/97/494972597.db2.gz QHXOFEUQGHNBCJ-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000133488844 495020335 /nfs/dbraw/zinc/02/03/35/495020335.db2.gz FVIXROQPCJCUCX-UHFFFAOYSA-N 0 3 355.398 3.028 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000110996765 495029330 /nfs/dbraw/zinc/02/93/30/495029330.db2.gz UTHGCFAZUSJBOG-OCCSQVGLSA-N 0 3 369.849 3.006 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000118807881 495039486 /nfs/dbraw/zinc/03/94/86/495039486.db2.gz SXMZECRCORXGBK-LLVKDONJSA-N 0 3 372.372 3.002 20 5 FGBDHN COc1ccc(CNCCCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000111405969 495071968 /nfs/dbraw/zinc/07/19/68/495071968.db2.gz IYUQXKCPGGHKQL-UHFFFAOYSA-N 0 3 369.421 3.016 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000123360457 495120537 /nfs/dbraw/zinc/12/05/37/495120537.db2.gz BOSKJCPGSNWIOW-LFHSMUGYSA-N 0 3 351.834 3.203 20 5 FGBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000128646180 495129470 /nfs/dbraw/zinc/12/94/70/495129470.db2.gz AQFRROVQBKNIFR-UHFFFAOYSA-N 0 3 371.441 3.033 20 5 FGBDHN COc1ccc(-c2ccc(CNC[C@H](C)Cn3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000102425385 495136572 /nfs/dbraw/zinc/13/65/72/495136572.db2.gz BGQCCAPRKGOJHY-AWEZNQCLSA-N 0 3 370.409 3.486 20 5 FGBDHN CCC(=O)N1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000134541716 495165623 /nfs/dbraw/zinc/16/56/23/495165623.db2.gz DMGUAVYDLTYBGD-CYBMUJFWSA-N 0 3 359.451 3.424 20 5 FGBDHN C[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119438390 495167301 /nfs/dbraw/zinc/16/73/01/495167301.db2.gz LJRMKRAEBUHZJG-LPHOPBHVSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134868775 495212289 /nfs/dbraw/zinc/21/22/89/495212289.db2.gz JIZKUEBESXTUGP-WBVHZDCISA-N 0 3 353.422 3.296 20 5 FGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1nccs1 ZINC000129402074 495240018 /nfs/dbraw/zinc/24/00/18/495240018.db2.gz OCZRVNDSWBFYCH-UHFFFAOYSA-N 0 3 366.418 3.084 20 5 FGBDHN CN(c1ccccc1)c1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000119900139 495265493 /nfs/dbraw/zinc/26/54/93/495265493.db2.gz XMNIVDBSPLZNSK-MRXNPFEDSA-N 0 3 368.437 3.073 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCCCC1 ZINC000135670322 495325112 /nfs/dbraw/zinc/32/51/12/495325112.db2.gz YRXHPTWRWAGMOJ-UHFFFAOYSA-N 0 3 351.472 3.313 20 5 FGBDHN Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(OCCN(C)C)c1 ZINC000124696332 495329510 /nfs/dbraw/zinc/32/95/10/495329510.db2.gz YZIYFQHIADDXNW-UHFFFAOYSA-N 0 3 371.437 3.333 20 5 FGBDHN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000124910606 495363124 /nfs/dbraw/zinc/36/31/24/495363124.db2.gz LSMWSXCTVQEUKI-HNNXBMFYSA-N 0 3 371.437 3.269 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120447550 495381435 /nfs/dbraw/zinc/38/14/35/495381435.db2.gz AKCZQBRBUNIMTF-STQMWFEESA-N 0 3 369.849 3.006 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120583935 495410964 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FGBDHN O=[N+]([O-])c1cnn(CCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)c1 ZINC000151273307 495790516 /nfs/dbraw/zinc/79/05/16/495790516.db2.gz PYHGYWVWUQCVKD-UHFFFAOYSA-N 0 3 369.208 3.164 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000155058952 495820417 /nfs/dbraw/zinc/82/04/17/495820417.db2.gz BOSPNMNMPUFKEW-CQSZACIVSA-N 0 3 357.410 3.080 20 5 FGBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000580667082 505809424 /nfs/dbraw/zinc/80/94/24/505809424.db2.gz KZZGUCDKJOEFNR-AWEZNQCLSA-N 0 3 369.450 3.310 20 5 FGBDHN COc1cc(CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180162175 495887127 /nfs/dbraw/zinc/88/71/27/495887127.db2.gz HXZYADFZRXQKOA-TXEJJXNPSA-N 0 3 356.369 3.479 20 5 FGBDHN Cc1ccc(NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)nc1 ZINC000183277610 495912176 /nfs/dbraw/zinc/91/21/76/495912176.db2.gz RYUDZCFYGYFOEG-UHFFFAOYSA-N 0 3 368.437 3.457 20 5 FGBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186295798 495932227 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496426479 /nfs/dbraw/zinc/42/64/79/496426479.db2.gz WWZJJEPDROKKHE-QGZVFWFLSA-N 0 3 372.421 3.008 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCCNCC1 ZINC000178363623 496429067 /nfs/dbraw/zinc/42/90/67/496429067.db2.gz IVCSNTYHODOVKJ-UHFFFAOYSA-N 0 3 357.435 3.182 20 5 FGBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000163012214 496449117 /nfs/dbraw/zinc/44/91/17/496449117.db2.gz YXOACBPADXULRN-GDZNZVCISA-N 0 3 355.394 3.076 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000175622084 496469141 /nfs/dbraw/zinc/46/91/41/496469141.db2.gz KMCUAIRTPIMJNU-ZBFHGGJFSA-N 0 3 360.458 3.140 20 5 FGBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000181666087 496494270 /nfs/dbraw/zinc/49/42/70/496494270.db2.gz XKJFGDLPDITMMJ-GOSISDBHSA-N 0 3 357.410 3.209 20 5 FGBDHN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000181688657 496504014 /nfs/dbraw/zinc/50/40/14/496504014.db2.gz YBMVBOHBSUJYEM-QGZVFWFLSA-N 0 3 357.410 3.209 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000187609129 496508418 /nfs/dbraw/zinc/50/84/18/496508418.db2.gz JTKXNJZRGXGUMT-LJQANCHMSA-N 0 3 371.412 3.374 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181801717 496551473 /nfs/dbraw/zinc/55/14/73/496551473.db2.gz BHZXEMZLDHLXSW-AWEZNQCLSA-N 0 3 371.437 3.498 20 5 FGBDHN COc1ccc(OCCN[C@@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000182004469 496631645 /nfs/dbraw/zinc/63/16/45/496631645.db2.gz FICLTPKDENRSJG-LBPRGKRZSA-N 0 3 364.373 3.481 20 5 FGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000182033662 496643672 /nfs/dbraw/zinc/64/36/72/496643672.db2.gz HXLYFAQPUPEXMV-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN CC(C)CN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000185081211 496649942 /nfs/dbraw/zinc/64/99/42/496649942.db2.gz BNVMBZJROPPVPP-AWEZNQCLSA-N 0 3 365.449 3.416 20 5 FGBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000173343056 496650639 /nfs/dbraw/zinc/65/06/39/496650639.db2.gz UAQKENXZJTXRCL-OLZOCXBDSA-N 0 3 363.439 3.378 20 5 FGBDHN CCc1cc(N2CCC[C@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000173410637 496679697 /nfs/dbraw/zinc/67/96/97/496679697.db2.gz AAPSCCZVKKTIEJ-YOEHRIQHSA-N 0 3 355.442 3.267 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000182175761 496697858 /nfs/dbraw/zinc/69/78/58/496697858.db2.gz KCUUJFYMHRITBE-SWLSCSKDSA-N 0 3 350.802 3.339 20 5 FGBDHN COCC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273249051 496752170 /nfs/dbraw/zinc/75/21/70/496752170.db2.gz GSBIUQSCCVDRKF-OAHLLOKOSA-N 0 3 361.398 3.192 20 5 FGBDHN CN(CCc1ccncc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273452994 496810327 /nfs/dbraw/zinc/81/03/27/496810327.db2.gz ZJQJUTVACRUWLA-UHFFFAOYSA-N 0 3 350.216 3.427 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1c2ccccc2O[C@H]1C ZINC000580919261 505867565 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CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C ZINC000437176485 500610822 /nfs/dbraw/zinc/61/08/22/500610822.db2.gz MLJGFDIFSIEHOU-CQSZACIVSA-N 0 3 361.364 3.320 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000433048637 500613846 /nfs/dbraw/zinc/61/38/46/500613846.db2.gz XWEFFYCLXNOCNN-HKUYNNGSSA-N 0 3 356.422 3.214 20 5 FGBDHN Cn1nccc1N1CCC[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433057271 500615495 /nfs/dbraw/zinc/61/54/95/500615495.db2.gz KXKTUQGIWWSFEV-KDOFPFPSSA-N 0 3 369.469 3.309 20 5 FGBDHN COc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC ZINC000447533243 500618368 /nfs/dbraw/zinc/61/83/68/500618368.db2.gz XDRRCWWKGQFYSH-GJZGRUSLSA-N 0 3 360.414 3.082 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(OCC3CC3)nc2)n1 ZINC000447541994 500620936 /nfs/dbraw/zinc/62/09/36/500620936.db2.gz HSYXLYPPOSIFOM-SJORKVTESA-N 0 3 371.441 3.249 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000437513804 500653057 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3.218 20 5 FGBDHN Cc1c(CC(=O)N2CCN(C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000438844547 500826063 /nfs/dbraw/zinc/82/60/63/500826063.db2.gz VVUXCFLZPVMRSB-UHFFFAOYSA-N 0 3 359.470 3.169 20 5 FGBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448923410 500870181 /nfs/dbraw/zinc/87/01/81/500870181.db2.gz FRZWQSVAENKYOF-LBPRGKRZSA-N 0 3 371.359 3.360 20 5 FGBDHN CC(C)(C)c1ccc(C(=O)N2CCOc3ccc(CN)cc32)cc1[N+](=O)[O-] ZINC000602575807 506221755 /nfs/dbraw/zinc/22/17/55/506221755.db2.gz KUXLXTVPDHJBSM-UHFFFAOYSA-N 0 3 369.421 3.390 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000449082654 500920203 /nfs/dbraw/zinc/92/02/03/500920203.db2.gz OSRRRIXLBYBVGA-LPHOPBHVSA-N 0 3 367.449 3.479 20 5 FGBDHN CC(C)CN1CCCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000439692427 500927000 /nfs/dbraw/zinc/92/70/00/500927000.db2.gz PXAOPDCRQKUDGP-INIZCTEOSA-N 0 3 365.499 3.314 20 5 FGBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000588189605 506224760 /nfs/dbraw/zinc/22/47/60/506224760.db2.gz MYELCPWHBIQUBP-LBPRGKRZSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000449295320 500969460 /nfs/dbraw/zinc/96/94/60/500969460.db2.gz RIGXROKTHPJXIO-LSDHHAIUSA-N 0 3 353.422 3.046 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449359438 500986183 /nfs/dbraw/zinc/98/61/83/500986183.db2.gz QCHHPANLJNIRFF-MBSJSRAVSA-N 0 3 372.446 3.159 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000449532884 501027124 /nfs/dbraw/zinc/02/71/24/501027124.db2.gz DSXOVNJHSNHADX-WBVHZDCISA-N 0 3 373.409 3.017 20 5 FGBDHN COc1cc(CNC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449557755 501033184 /nfs/dbraw/zinc/03/31/84/501033184.db2.gz SWYFAPLFWQKAAO-HNNXBMFYSA-N 0 3 373.453 3.222 20 5 FGBDHN COc1cc(C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449623735 501045291 /nfs/dbraw/zinc/04/52/91/501045291.db2.gz LYSKENVZTPNQRQ-BLLLJJGKSA-N 0 3 364.423 3.380 20 5 FGBDHN COc1cc(CNC2(CCO)CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000440906321 501062124 /nfs/dbraw/zinc/06/21/24/501062124.db2.gz SQBNOMGGEHHONJ-UHFFFAOYSA-N 0 3 374.384 3.380 20 5 FGBDHN COC[C@]1(CO)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449699195 501064818 /nfs/dbraw/zinc/06/48/18/501064818.db2.gz PHOUHVQPWDMXJP-GOSISDBHSA-N 0 3 362.451 3.154 20 5 FGBDHN COc1cc(CNC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449740482 501072224 /nfs/dbraw/zinc/07/22/24/501072224.db2.gz GPGBZRXUEFLTOG-AAEUAGOBSA-N 0 3 356.369 3.383 20 5 FGBDHN COC(=O)[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752487 501075468 /nfs/dbraw/zinc/07/54/68/501075468.db2.gz FWBBQEUSCGIHIU-ROUUACIJSA-N 0 3 354.406 3.292 20 5 FGBDHN Cc1ccc2nc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cn2c1 ZINC000582459030 506233661 /nfs/dbraw/zinc/23/36/61/506233661.db2.gz UMFBGGLQXCFIEH-HOTGVXAUSA-N 0 3 354.414 3.021 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000436402226 501120511 /nfs/dbraw/zinc/12/05/11/501120511.db2.gz USRRLWQIGHBYFD-IAGOWNOFSA-N 0 3 374.462 3.294 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436402227 501120800 /nfs/dbraw/zinc/12/08/00/501120800.db2.gz USRRLWQIGHBYFD-IRXDYDNUSA-N 0 3 374.462 3.294 20 5 FGBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1cccc(OC)c1 ZINC000450234722 501216114 /nfs/dbraw/zinc/21/61/14/501216114.db2.gz SBVXMMCQJDOPGB-KRWDZBQOSA-N 0 3 359.430 3.197 20 5 FGBDHN C[C@H](NCCCS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105650 501246179 /nfs/dbraw/zinc/24/61/79/501246179.db2.gz TZXQQMMEMUVQHD-ZDUSSCGKSA-N 0 3 366.414 3.249 20 5 FGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000451327628 501266196 /nfs/dbraw/zinc/26/61/96/501266196.db2.gz SNMAEODSWPOMCO-INIZCTEOSA-N 0 3 350.802 3.292 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451481804 501302717 /nfs/dbraw/zinc/30/27/17/501302717.db2.gz SBJMGCKGMLNGFX-XOKHGSTOSA-N 0 3 361.442 3.168 20 5 FGBDHN Cc1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458203427 501391803 /nfs/dbraw/zinc/39/18/03/501391803.db2.gz WKQACRAIMLPULE-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[N@@H+](Cc1ccccc1)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596103887 506260736 /nfs/dbraw/zinc/26/07/36/506260736.db2.gz HQROYVXKFIUXLT-UHFFFAOYSA-N 0 3 356.426 3.044 20 5 FGBDHN C[N@H+](Cc1ccccc1)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596103887 506260743 /nfs/dbraw/zinc/26/07/43/506260743.db2.gz HQROYVXKFIUXLT-UHFFFAOYSA-N 0 3 356.426 3.044 20 5 FGBDHN CCN(CC)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000611708111 506265415 /nfs/dbraw/zinc/26/54/15/506265415.db2.gz JIJMTTMVKDJGAO-MRXNPFEDSA-N 0 3 355.398 3.048 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000457085460 501647468 /nfs/dbraw/zinc/64/74/68/501647468.db2.gz HKRVOZMINQAHMI-GFCCVEGCSA-N 0 3 359.348 3.168 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)C1(CO)CCCC1 ZINC000459521153 501668690 /nfs/dbraw/zinc/66/86/90/501668690.db2.gz DDPBZRRXNOPCHG-GOSISDBHSA-N 0 3 363.458 3.009 20 5 FGBDHN C[C@H](Cc1cccc(F)c1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763827 501710734 /nfs/dbraw/zinc/71/07/34/501710734.db2.gz XHRGQYNQWMEWDJ-KDOFPFPSSA-N 0 3 362.401 3.037 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218175 501741031 /nfs/dbraw/zinc/74/10/31/501741031.db2.gz NWXQIFPFOYHEEG-CHWSQXEVSA-N 0 3 368.865 3.168 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCC[C@@H]1C ZINC000485192773 501751626 /nfs/dbraw/zinc/75/16/26/501751626.db2.gz BLIITVWCLORTOM-NWDGAFQWSA-N 0 3 371.384 3.189 20 5 FGBDHN CC(C)(C)N1C[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602717650 506271905 /nfs/dbraw/zinc/27/19/05/506271905.db2.gz IIOSNGJHGKBXRH-LLVKDONJSA-N 0 3 373.375 3.350 20 5 FGBDHN COc1cc(CN[C@H]2C[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000599016828 506278942 /nfs/dbraw/zinc/27/89/42/506278942.db2.gz TUJBQKSGKYOHHR-SAABIXHNSA-N 0 3 372.421 3.449 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000478306754 501937259 /nfs/dbraw/zinc/93/72/59/501937259.db2.gz OAXADBFSRVWQAC-IBGZPJMESA-N 0 3 353.422 3.235 20 5 FGBDHN CCc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471390862 502008262 /nfs/dbraw/zinc/00/82/62/502008262.db2.gz PFTATXFVDNLIPJ-SFHVURJKSA-N 0 3 355.438 3.060 20 5 FGBDHN C[C@H]1C[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596173644 506293460 /nfs/dbraw/zinc/29/34/60/506293460.db2.gz ZOVHUZJPJSZFPM-HOCLYGCPSA-N 0 3 356.426 3.408 20 5 FGBDHN C[C@H]1C[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173644 506293466 /nfs/dbraw/zinc/29/34/66/506293466.db2.gz ZOVHUZJPJSZFPM-HOCLYGCPSA-N 0 3 356.426 3.408 20 5 FGBDHN CCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475220573 502103426 /nfs/dbraw/zinc/10/34/26/502103426.db2.gz RZZPNLCCVFCZQD-UHFFFAOYSA-N 0 3 362.352 3.467 20 5 FGBDHN COc1ccc(C(=O)NCCNC/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468642794 502134999 /nfs/dbraw/zinc/13/49/99/502134999.db2.gz MHALSAPMRSFMTF-QINSGFPZSA-N 0 3 369.421 3.026 20 5 FGBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCCCC1 ZINC000468714028 502156811 /nfs/dbraw/zinc/15/68/11/502156811.db2.gz LDWYVLLGXQGBLI-UHFFFAOYSA-N 0 3 369.487 3.065 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCCO)Cc1ccccc1 ZINC000486811948 502271689 /nfs/dbraw/zinc/27/16/89/502271689.db2.gz XFNVCSNREZGAQS-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(OCCO)CCC(F)(F)CC1 ZINC000599067349 506306043 /nfs/dbraw/zinc/30/60/43/506306043.db2.gz UQOXGXOGHJEGPE-HNNXBMFYSA-N 0 3 370.396 3.129 20 5 FGBDHN COc1c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000483337853 502354353 /nfs/dbraw/zinc/35/43/53/502354353.db2.gz MFNVBVHUDDJMFB-HNNXBMFYSA-N 0 3 367.405 3.228 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000479797255 502380875 /nfs/dbraw/zinc/38/08/75/502380875.db2.gz QFJTVHYLNPOEDS-LSDHHAIUSA-N 0 3 365.499 3.456 20 5 FGBDHN O=C1Nc2ccccc2C[C@@H]1N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599074088 506310404 /nfs/dbraw/zinc/31/04/04/506310404.db2.gz LCQBYBYUVVQBEE-FNHZYXHNSA-N 0 3 365.433 3.459 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000487594399 502486585 /nfs/dbraw/zinc/48/65/85/502486585.db2.gz VCCWRUVHFYLZTG-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000483982235 502539726 /nfs/dbraw/zinc/53/97/26/502539726.db2.gz GRTAVZLBOHRWJO-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000599094876 506321278 /nfs/dbraw/zinc/32/12/78/506321278.db2.gz ZSUXXGGNTGHBEF-ZFWWWQNUSA-N 0 3 363.483 3.209 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596233171 506321538 /nfs/dbraw/zinc/32/15/38/506321538.db2.gz ZDPFTEFZYJODLF-NWDGAFQWSA-N 0 3 367.833 3.098 20 5 FGBDHN CNc1c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936678 502632637 /nfs/dbraw/zinc/63/26/37/502632637.db2.gz SBKZZSSVBHJDMK-HOCLYGCPSA-N 0 3 368.437 3.202 20 5 FGBDHN CN1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000470145789 502678359 /nfs/dbraw/zinc/67/83/59/502678359.db2.gz ZBKLGHSOWWQOJD-SJORKVTESA-N 0 3 358.373 3.301 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000470170094 502691824 /nfs/dbraw/zinc/69/18/24/502691824.db2.gz OKCJKRWLRGUYOZ-WPNIOXTASA-N 0 3 359.470 3.042 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCC(N)=O)Cc1ccccc1 ZINC000470177017 502696158 /nfs/dbraw/zinc/69/61/58/502696158.db2.gz OHNAEHUKVQNQRG-FOWTUZBSSA-N 0 3 353.422 3.376 20 5 FGBDHN CCC[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000470180479 502697556 /nfs/dbraw/zinc/69/75/56/502697556.db2.gz NXGVJWLFONSEJU-XMJIKXADSA-N 0 3 361.486 3.431 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479945 502726631 /nfs/dbraw/zinc/72/66/31/502726631.db2.gz NUZFAMYNRIRFBP-LIRRHRJNSA-N 0 3 371.412 3.374 20 5 FGBDHN CCc1ccc([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000513391927 502924313 /nfs/dbraw/zinc/92/43/13/502924313.db2.gz HVBICBDBOTVLOC-SFHVURJKSA-N 0 3 355.438 3.199 20 5 FGBDHN C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H](c1ccccc1)N(C)C ZINC000505576175 502939354 /nfs/dbraw/zinc/93/93/54/502939354.db2.gz WTWXQGXULWFDBL-ORAYPTAESA-N 0 3 366.421 3.497 20 5 FGBDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000513460260 502945125 /nfs/dbraw/zinc/94/51/25/502945125.db2.gz NCYDKBMSAUJACR-UHFFFAOYSA-N 0 3 360.439 3.032 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000513530298 502960026 /nfs/dbraw/zinc/96/00/26/502960026.db2.gz LFCAWJWWZINSJE-UHFFFAOYSA-N 0 3 352.410 3.464 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000505684813 502965785 /nfs/dbraw/zinc/96/57/85/502965785.db2.gz ZVMIXZQNWPSKLR-XLIONFOSSA-N 0 3 359.470 3.108 20 5 FGBDHN CCC[C@]1(COC)CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027482 506344574 /nfs/dbraw/zinc/34/45/74/506344574.db2.gz RFBBJPAWYWLKNV-GOSISDBHSA-N 0 3 350.415 3.163 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599149695 506347063 /nfs/dbraw/zinc/34/70/63/506347063.db2.gz UFBUFBGJKOWQLT-GOSISDBHSA-N 0 3 374.485 3.186 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000588823391 506348049 /nfs/dbraw/zinc/34/80/49/506348049.db2.gz VOEGDRSIFYGTBR-UHFFFAOYSA-N 0 3 372.473 3.394 20 5 FGBDHN Cc1ccccc1C[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000514184201 503107017 /nfs/dbraw/zinc/10/70/17/503107017.db2.gz RIRCCDICQRFPMJ-GOSISDBHSA-N 0 3 353.422 3.209 20 5 FGBDHN COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000510542047 503138667 /nfs/dbraw/zinc/13/86/67/503138667.db2.gz WROPORJIXZGMLZ-AUUYWEPGSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000510542111 503138867 /nfs/dbraw/zinc/13/88/67/503138867.db2.gz XHANWEMTCGHSSI-FZKQIMNGSA-N 0 3 359.401 3.464 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000506994604 503208751 /nfs/dbraw/zinc/20/87/51/503208751.db2.gz JSEHYOYOEOFKHF-WMLDXEAASA-N 0 3 368.437 3.202 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000498710862 503244748 /nfs/dbraw/zinc/24/47/48/503244748.db2.gz MWCGCMBDKUVCHY-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000511699965 503372660 /nfs/dbraw/zinc/37/26/60/503372660.db2.gz BOCUVGBYPMMBLU-MRXNPFEDSA-N 0 3 357.410 3.218 20 5 FGBDHN CCCC[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000492843575 503388137 /nfs/dbraw/zinc/38/81/37/503388137.db2.gz CABGDVXUAQFHFY-OLZOCXBDSA-N 0 3 363.414 3.211 20 5 FGBDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000503446655 503411625 /nfs/dbraw/zinc/41/16/25/503411625.db2.gz MGFDBMBXKQWCTF-XNRPHZJLSA-N 0 3 351.472 3.494 20 5 FGBDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000503449174 503412415 /nfs/dbraw/zinc/41/24/15/503412415.db2.gz BWKZMBCIUDBABY-HZUKXOBISA-N 0 3 367.471 3.194 20 5 FGBDHN Cc1cccc(C)c1OC[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516048767 503437868 /nfs/dbraw/zinc/43/78/68/503437868.db2.gz NUDAKURKKLKIQQ-IRXDYDNUSA-N 0 3 374.437 3.008 20 5 FGBDHN O=[N+]([O-])c1cc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000593068464 506371737 /nfs/dbraw/zinc/37/17/37/506371737.db2.gz OMYFOWOYHQJHDR-ZWKOTPCHSA-N 0 3 373.478 3.132 20 5 FGBDHN CCC[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000540176775 503698087 /nfs/dbraw/zinc/69/80/87/503698087.db2.gz GDFPJCPSWUCJEY-XIRDDKMYSA-N 0 3 354.472 3.381 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000536866896 503744504 /nfs/dbraw/zinc/74/45/04/503744504.db2.gz AUNBFXXCZAHHSK-UONOGXRCSA-N 0 3 351.472 3.064 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000543427025 503765587 /nfs/dbraw/zinc/76/55/87/503765587.db2.gz BZUDBRLLRXTDIO-KGLIPLIRSA-N 0 3 372.512 3.022 20 5 FGBDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000537023431 503779500 /nfs/dbraw/zinc/77/95/00/503779500.db2.gz ZGFGGQLFKSBIMR-WBVHZDCISA-N 0 3 374.437 3.473 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000537176565 503827453 /nfs/dbraw/zinc/82/74/53/503827453.db2.gz OBUDCMWBKBAHMP-SFHVURJKSA-N 0 3 373.457 3.342 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000537306282 503874660 /nfs/dbraw/zinc/87/46/60/503874660.db2.gz JMINEVLPKDBKDC-UHFFFAOYSA-N 0 3 363.458 3.053 20 5 FGBDHN COc1ccccc1[C@]1(C)C[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518361949 503963148 /nfs/dbraw/zinc/96/31/48/503963148.db2.gz INGDUKUPRDWYTD-ICSRJNTNSA-N 0 3 369.421 3.252 20 5 FGBDHN CN(C(=O)CN[C@@]1(C)CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000537595917 503967203 /nfs/dbraw/zinc/96/72/03/503967203.db2.gz BFGUTWBUTNDABO-FQEVSTJZSA-N 0 3 353.422 3.399 20 5 FGBDHN C[C@@]1(c2ccccc2)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541349762 504101234 /nfs/dbraw/zinc/10/12/34/504101234.db2.gz RRICPOUNFMIOFT-GHTZIAJQSA-N 0 3 370.449 3.388 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000534329515 504112428 /nfs/dbraw/zinc/11/24/28/504112428.db2.gz AXXIODRBPGGSEW-ZBFHGGJFSA-N 0 3 360.410 3.084 20 5 FGBDHN CCN(CC)C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000519062832 504130646 /nfs/dbraw/zinc/13/06/46/504130646.db2.gz BSZFGMNIRLUZDP-INIZCTEOSA-N 0 3 365.477 3.001 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000538268255 504180996 /nfs/dbraw/zinc/18/09/96/504180996.db2.gz DVBYVWPKOFXUOS-KRWDZBQOSA-N 0 3 361.423 3.344 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](c2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000541589529 504189335 /nfs/dbraw/zinc/18/93/35/504189335.db2.gz BATHQNGEUBWYOH-LJQANCHMSA-N 0 3 354.410 3.368 20 5 FGBDHN C[C@H](CCC1CCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541741404 504238600 /nfs/dbraw/zinc/23/86/00/504238600.db2.gz RRIXVQDXJITSFJ-CQSZACIVSA-N 0 3 354.472 3.317 20 5 FGBDHN CC[C@@H]1CCC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541762928 504246835 /nfs/dbraw/zinc/24/68/35/504246835.db2.gz RFGKAWPMVKFULU-HUUCEWRRSA-N 0 3 354.472 3.175 20 5 FGBDHN C[C@H](CCO)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000538447006 504248718 /nfs/dbraw/zinc/24/87/18/504248718.db2.gz SPSJGYYPOADUKD-GFCCVEGCSA-N 0 3 358.385 3.475 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000534960286 504293907 /nfs/dbraw/zinc/29/39/07/504293907.db2.gz MPROUVATSIJSMO-GOSISDBHSA-N 0 3 366.421 3.417 20 5 FGBDHN COc1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542030467 504342093 /nfs/dbraw/zinc/34/20/93/504342093.db2.gz BHZLJPXURUNRBW-AWEZNQCLSA-N 0 3 372.425 3.245 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000545167916 504382191 /nfs/dbraw/zinc/38/21/91/504382191.db2.gz REMYBLITHUUSED-UHFFFAOYSA-N 0 3 373.428 3.390 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN(CC2CC2)C2CCCCC2)cc1 ZINC000542278855 504436215 /nfs/dbraw/zinc/43/62/15/504436215.db2.gz SPDJICCOTLTWBU-UHFFFAOYSA-N 0 3 366.483 3.413 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000542484755 504509189 /nfs/dbraw/zinc/50/91/89/504509189.db2.gz STMJICOQFOOLHP-BJOOFOGMSA-N 0 3 358.394 3.066 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520554919 504526625 /nfs/dbraw/zinc/52/66/25/504526625.db2.gz UFRLRSMKVHXTNJ-ZDUSSCGKSA-N 0 3 371.865 3.062 20 5 FGBDHN O=C(CCNCCOc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000548761285 504556748 /nfs/dbraw/zinc/55/67/48/504556748.db2.gz VMIMYBYWWPSCIQ-UHFFFAOYSA-N 0 3 363.801 3.245 20 5 FGBDHN O=C(CCNCc1ccc(OC(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000548761271 504556954 /nfs/dbraw/zinc/55/69/54/504556954.db2.gz YMCNSZUXKJKPES-UHFFFAOYSA-N 0 3 365.336 3.315 20 5 FGBDHN CSc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000520760902 504575995 /nfs/dbraw/zinc/57/59/95/504575995.db2.gz KCNMFDDLMRJPDL-STQMWFEESA-N 0 3 351.472 3.309 20 5 FGBDHN CC[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000542690351 504577182 /nfs/dbraw/zinc/57/71/82/504577182.db2.gz ALEAZQBEILNQHC-HNNXBMFYSA-N 0 3 362.451 3.152 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000542820198 504624206 /nfs/dbraw/zinc/62/42/06/504624206.db2.gz MUYXKOVDFJEVEW-ZIAGYGMSSA-N 0 3 360.410 3.456 20 5 FGBDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000548935233 504628656 /nfs/dbraw/zinc/62/86/56/504628656.db2.gz GQJPOMZPBIZJKX-IBGZPJMESA-N 0 3 358.438 3.126 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542872787 504641970 /nfs/dbraw/zinc/64/19/70/504641970.db2.gz ALZGTRGDHRHCBV-RYUDHWBXSA-N 0 3 371.384 3.046 20 5 FGBDHN COc1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000542960369 504673525 /nfs/dbraw/zinc/67/35/25/504673525.db2.gz AAEFEKREUSZQMV-MRXNPFEDSA-N 0 3 358.398 3.028 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCO[C@@H]3CCCCO3)CC2)cc1 ZINC000549139936 504700278 /nfs/dbraw/zinc/70/02/78/504700278.db2.gz JZAGHZAJWCUMMF-LJQANCHMSA-N 0 3 364.442 3.371 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000553001812 504802793 /nfs/dbraw/zinc/80/27/93/504802793.db2.gz SLCGLOPLEJSRJI-ZFWWWQNUSA-N 0 3 370.409 3.024 20 5 FGBDHN Cc1ccc(SCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000565443188 504888383 /nfs/dbraw/zinc/88/83/83/504888383.db2.gz KHKZRWUSOOPCPF-OAHLLOKOSA-N 0 3 362.451 3.025 20 5 FGBDHN COc1cc(CN2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000565800989 504990783 /nfs/dbraw/zinc/99/07/83/504990783.db2.gz JWOMUXPGJOZWNF-DZGCQCFKSA-N 0 3 352.431 3.128 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000563245307 505086129 /nfs/dbraw/zinc/08/61/29/505086129.db2.gz OTRDQIXOOAOBRI-LALPHHSUSA-N 0 3 365.861 3.359 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000560510053 505109061 /nfs/dbraw/zinc/10/90/61/505109061.db2.gz XJSQVFSXTSQWNG-YJBOKZPZSA-N 0 3 362.813 3.265 20 5 FGBDHN CC[C@H]1CCCCN1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524948 505114329 /nfs/dbraw/zinc/11/43/29/505114329.db2.gz RXOOLLQYPUBSRT-PKOBYXMFSA-N 0 3 371.485 3.272 20 5 FGBDHN O=[N+]([O-])c1cccnc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000566401190 505165092 /nfs/dbraw/zinc/16/50/92/505165092.db2.gz WPQUDGGTFMRKCL-INIZCTEOSA-N 0 3 359.451 3.373 20 5 FGBDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566525952 505195483 /nfs/dbraw/zinc/19/54/83/505195483.db2.gz AHMCBTNUTHACLE-YLJYHZDGSA-N 0 3 374.437 3.426 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000566747732 505262903 /nfs/dbraw/zinc/26/29/03/505262903.db2.gz JGLIINOBVDYDAM-CMKODMSKSA-N 0 3 356.397 3.477 20 5 FGBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000551720907 505291882 /nfs/dbraw/zinc/29/18/82/505291882.db2.gz YQXWLJMXNMNODA-WMLDXEAASA-N 0 3 372.421 3.113 20 5 FGBDHN COC[C@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000555003036 505325549 /nfs/dbraw/zinc/32/55/49/505325549.db2.gz QYNIKJCVKSVXAV-QRWLVFNGSA-N 0 3 356.422 3.360 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000567078917 505357280 /nfs/dbraw/zinc/35/72/80/505357280.db2.gz VFKJPUVPNLSJGR-HRCADAONSA-N 0 3 366.483 3.317 20 5 FGBDHN CCCCN1CCCC[C@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000564302159 505377117 /nfs/dbraw/zinc/37/71/17/505377117.db2.gz NSASGKKBFPWBER-AWEZNQCLSA-N 0 3 364.446 3.233 20 5 FGBDHN CC(C)N(CCN1CCCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000561730492 505420266 /nfs/dbraw/zinc/42/02/66/505420266.db2.gz BRDUUIRIDBMPJH-UHFFFAOYSA-N 0 3 351.422 3.461 20 5 FGBDHN COc1ccccc1[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000564472274 505428574 /nfs/dbraw/zinc/42/85/74/505428574.db2.gz YSJRQXFORKMEII-HKUYNNGSSA-N 0 3 355.438 3.483 20 5 FGBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000561760739 505428980 /nfs/dbraw/zinc/42/89/80/505428980.db2.gz BROQHZPOLXEQQW-XEZPLFJOSA-N 0 3 357.410 3.143 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000567339069 505434858 /nfs/dbraw/zinc/43/48/58/505434858.db2.gz ABPIMYBSIWZUQF-CQSZACIVSA-N 0 3 363.439 3.006 20 5 FGBDHN COc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000567501101 505481906 /nfs/dbraw/zinc/48/19/06/505481906.db2.gz BFMYNZWWAIGBEW-YOEHRIQHSA-N 0 3 372.421 3.449 20 5 FGBDHN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000593133338 506413727 /nfs/dbraw/zinc/41/37/27/506413727.db2.gz GMYYZPAIDSPVKS-ORAYPTAESA-N 0 3 359.401 3.084 20 5 FGBDHN O=C(CCN1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000612174207 506473050 /nfs/dbraw/zinc/47/30/50/506473050.db2.gz APGBKMPNYVEKPO-SFHVURJKSA-N 0 3 373.384 3.216 20 5 FGBDHN CN(C)CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1 ZINC000589196776 506480279 /nfs/dbraw/zinc/48/02/79/506480279.db2.gz YGSMDERMBKGTIR-SFHVURJKSA-N 0 3 373.453 3.397 20 5 FGBDHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599663054 506564219 /nfs/dbraw/zinc/56/42/19/506564219.db2.gz AYQBMMISZHIBSF-UHFFFAOYSA-N 0 3 367.877 3.325 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214986 506654448 /nfs/dbraw/zinc/65/44/48/506654448.db2.gz WXBUMVOTDYEGNT-SFHVURJKSA-N 0 3 361.486 3.405 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000599834954 506668210 /nfs/dbraw/zinc/66/82/10/506668210.db2.gz QDKZFYFJMOGLRC-SJLPKXTDSA-N 0 3 369.425 3.281 20 5 FGBDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122359 506721713 /nfs/dbraw/zinc/72/17/13/506721713.db2.gz LSBRFKKXXUWEPW-MAUKXSAKSA-N 0 3 368.437 3.230 20 5 FGBDHN Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000593724902 506748531 /nfs/dbraw/zinc/74/85/31/506748531.db2.gz BEFZXIIGPFCEIU-MSOLQXFVSA-N 0 3 353.422 3.338 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593725165 506749759 /nfs/dbraw/zinc/74/97/59/506749759.db2.gz GNLQLYGTZUEINB-CJNGLKHVSA-N 0 3 371.437 3.420 20 5 FGBDHN COC[C@@H](C)Oc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000597118959 506785453 /nfs/dbraw/zinc/78/54/53/506785453.db2.gz PTDOEIOXJRSXOQ-OAHLLOKOSA-N 0 3 374.441 3.042 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609153893 506796624 /nfs/dbraw/zinc/79/66/24/506796624.db2.gz FEVVCVRQWZJXFY-OAHLLOKOSA-N 0 3 355.438 3.383 20 5 FGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590443493 506823821 /nfs/dbraw/zinc/82/38/21/506823821.db2.gz DEYAOJMNAYFPLY-CJNGLKHVSA-N 0 3 363.483 3.263 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](c3ccc(O)cc3)C1)OCCO2 ZINC000600213431 506851523 /nfs/dbraw/zinc/85/15/23/506851523.db2.gz FICHLDLVEXKSFP-CQSZACIVSA-N 0 3 356.378 3.061 20 5 FGBDHN CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229469 506861634 /nfs/dbraw/zinc/86/16/34/506861634.db2.gz SXGCBHHICGHMQZ-MRXNPFEDSA-N 0 3 361.442 3.130 20 5 FGBDHN Cn1cc([C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000593998713 506874936 /nfs/dbraw/zinc/87/49/36/506874936.db2.gz VEXKGTQGHBSMBZ-GOSISDBHSA-N 0 3 358.442 3.223 20 5 FGBDHN CCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000594020843 506887463 /nfs/dbraw/zinc/88/74/63/506887463.db2.gz MNJZGSFWZUWZBL-HNNXBMFYSA-N 0 3 362.474 3.036 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590931317 507035097 /nfs/dbraw/zinc/03/50/97/507035097.db2.gz GTMCALLJIIIMJQ-MSOLQXFVSA-N 0 3 374.485 3.358 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284406 507063271 /nfs/dbraw/zinc/06/32/71/507063271.db2.gz XCOAITLUWUPADP-MOPGFXCFSA-N 0 3 372.469 3.286 20 5 FGBDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600749301 507098202 /nfs/dbraw/zinc/09/82/02/507098202.db2.gz QDNGWYXBFZEPCB-ROUUACIJSA-N 0 3 374.462 3.150 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000610282003 507176859 /nfs/dbraw/zinc/17/68/59/507176859.db2.gz WUXGPPMKWNWZAO-AWEZNQCLSA-N 0 3 357.439 3.015 20 5 FGBDHN Cc1sc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296439 507183386 /nfs/dbraw/zinc/18/33/86/507183386.db2.gz CWSWQGSPQBYDMU-HNNXBMFYSA-N 0 3 359.451 3.311 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCCc3c1cnn3CCO)CCCC2 ZINC000591348055 507214129 /nfs/dbraw/zinc/21/41/29/507214129.db2.gz ZCEBRCYVVNTNBZ-OALUTQOASA-N 0 3 370.453 3.218 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCN(c3ccccc3)CC2)cc1 ZINC000601149671 507277525 /nfs/dbraw/zinc/27/75/25/507277525.db2.gz OYNHOXNLNMBVJO-UHFFFAOYSA-N 0 3 355.438 3.106 20 5 FGBDHN CN1CCC(n2cc(Nc3ccc([N+](=O)[O-])c4cnccc34)cn2)CC1 ZINC000601226153 507302273 /nfs/dbraw/zinc/30/22/73/507302273.db2.gz LQHDWIIHAFOLLC-UHFFFAOYSA-N 0 3 352.398 3.350 20 5 FGBDHN Cn1cc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 ZINC000594985736 507343245 /nfs/dbraw/zinc/34/32/45/507343245.db2.gz OIUVJOYLVDQNHR-UHFFFAOYSA-N 0 3 367.405 3.190 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1nsc3ccccc13)OCCO2 ZINC000594993058 507344744 /nfs/dbraw/zinc/34/47/44/507344744.db2.gz DCSRLIZJVNBIOL-UHFFFAOYSA-N 0 3 371.418 3.308 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1nn(C)c2ccccc12 ZINC000595032412 507361880 /nfs/dbraw/zinc/36/18/80/507361880.db2.gz JKWPQPVNVDFXAC-CYBMUJFWSA-N 0 3 354.410 3.383 20 5 FGBDHN COc1ccc2c(c1)OC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595035903 507363950 /nfs/dbraw/zinc/36/39/50/507363950.db2.gz NDLXZRUJOIGERK-TZMCWYRMSA-N 0 3 358.394 3.266 20 5 FGBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(C2CCCCC2)CC1 ZINC000610831044 507406948 /nfs/dbraw/zinc/40/69/48/507406948.db2.gz ACSCRZDFRKMQPP-UHFFFAOYSA-N 0 3 356.426 3.167 20 5 FGBDHN CCc1cccc2c1OCC[C@@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584585454 507426879 /nfs/dbraw/zinc/42/68/79/507426879.db2.gz FGMXBWWAOLOJEM-LPHOPBHVSA-N 0 3 372.421 3.010 20 5 FGBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595477647 507520773 /nfs/dbraw/zinc/52/07/73/507520773.db2.gz RQEWMMDKUIPOLL-CXAGYDPISA-N 0 3 360.385 3.244 20 5 FGBDHN COc1cc(CN[C@H](C(C)C)C2(CO)CC=CC2)c([N+](=O)[O-])cc1F ZINC000592177776 507524406 /nfs/dbraw/zinc/52/44/06/507524406.db2.gz QPILFRHNGGCHEB-QGZVFWFLSA-N 0 3 352.406 3.185 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000611395780 507661634 /nfs/dbraw/zinc/66/16/34/507661634.db2.gz UHRNUBQSZMYZCR-UYAOXDASSA-N 0 3 356.422 3.466 20 5 FGBDHN COc1cc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000595747092 507662380 /nfs/dbraw/zinc/66/23/80/507662380.db2.gz FXQVTQKTPXQVIS-ZWKOTPCHSA-N 0 3 356.422 3.201 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc2c1CCNC2 ZINC000595928830 507748567 /nfs/dbraw/zinc/74/85/67/507748567.db2.gz PRPAEVUJSWXSJL-UHFFFAOYSA-N 0 3 353.422 3.291 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1)N(C)C ZINC000519613489 562137085 /nfs/dbraw/zinc/13/70/85/562137085.db2.gz NTFQYDZRRGHLIG-SCLBCKFNSA-N 0 3 354.414 3.049 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824412668 608282103 /nfs/dbraw/zinc/28/21/03/608282103.db2.gz DHBIKAAGEOATSR-GFCCVEGCSA-N 0 3 370.388 3.025 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824412668 608282104 /nfs/dbraw/zinc/28/21/04/608282104.db2.gz DHBIKAAGEOATSR-GFCCVEGCSA-N 0 3 370.388 3.025 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000136822968 704865449 /nfs/dbraw/zinc/86/54/49/704865449.db2.gz UEWYPELNQYFEGC-WMZOPIPTSA-N 0 3 362.451 3.371 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000153435074 704998805 /nfs/dbraw/zinc/99/88/05/704998805.db2.gz GCGRCQCUVOQLGY-GFCCVEGCSA-N 0 3 353.419 3.169 20 5 FGBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1cccn1 ZINC000575014335 714455440 /nfs/dbraw/zinc/45/54/40/714455440.db2.gz VVYPAHBGFRFWDQ-ZDUSSCGKSA-N 0 3 357.439 3.341 20 5 FGBDHN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000579757737 714497163 /nfs/dbraw/zinc/49/71/63/714497163.db2.gz IGIHSSLTLSQWKJ-CYBMUJFWSA-N 0 3 359.348 3.018 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783620997 724772234 /nfs/dbraw/zinc/77/22/34/724772234.db2.gz XIKVRQSPHNWGKS-UHFFFAOYSA-N 0 3 351.746 3.325 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000725850187 722424749 /nfs/dbraw/zinc/42/47/49/722424749.db2.gz PTCCVTWXOQSGAF-HNNXBMFYSA-N 0 3 356.300 3.317 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000754831637 722946670 /nfs/dbraw/zinc/94/66/70/722946670.db2.gz UWIODPCLAXJNNR-AWEZNQCLSA-N 0 3 356.300 3.159 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000791002893 723204096 /nfs/dbraw/zinc/20/40/96/723204096.db2.gz BAPCEEYXJSKAEI-GFCCVEGCSA-N 0 3 370.783 3.467 20 5 FGBDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791579539 723260500 /nfs/dbraw/zinc/26/05/00/723260500.db2.gz RBUHTOCVEAZZSA-KOLCDFICSA-N 0 3 363.311 3.335 20 5 FGBDHN CCC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1CCOC ZINC000766973850 723601886 /nfs/dbraw/zinc/60/18/86/723601886.db2.gz VIELJNUGDRSVQT-HNNXBMFYSA-N 0 3 355.866 3.181 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775868034 724074967 /nfs/dbraw/zinc/07/49/67/724074967.db2.gz CAIROSBVMLQNPJ-HOCLYGCPSA-N 0 3 369.849 3.370 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC(CN2CCOCC2)CC1 ZINC000809349267 725239838 /nfs/dbraw/zinc/23/98/38/725239838.db2.gz YXGLIVONOPZWOX-UHFFFAOYSA-N 0 3 355.385 3.081 20 5 FGBDHN CC(COC(=O)c1ccc(Br)c(OC(F)(F)F)c1)[N+](=O)[O-] ZINC000813102216 726838796 /nfs/dbraw/zinc/83/87/96/726838796.db2.gz PJMHVJNMIOAKMH-ZCFIWIBFSA-N 0 3 372.093 3.170 20 5 FGBDHN CCN(CC)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112976 726840163 /nfs/dbraw/zinc/84/01/63/726840163.db2.gz MVNMRJGQZZTDBZ-SMDDNHRTSA-N 0 3 362.348 3.297 20 5 FGBDHN CC(COC(=O)Cc1csc2ccc(Br)cc12)[N+](=O)[O-] ZINC000813112902 726840293 /nfs/dbraw/zinc/84/02/93/726840293.db2.gz WANHKLZAQFLQTE-QMMMGPOBSA-N 0 3 358.213 3.415 20 5 FGBDHN CCN(CC)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000813112974 726840535 /nfs/dbraw/zinc/84/05/35/726840535.db2.gz MVNMRJGQZZTDBZ-FZMZJTMJSA-N 0 3 362.348 3.297 20 5 FGBDHN CC(COC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1)[N+](=O)[O-] ZINC000813115806 726840606 /nfs/dbraw/zinc/84/06/06/726840606.db2.gz ZXBDRIXXMUSQAT-ZDUSSCGKSA-N 0 3 358.435 3.060 20 5 FGBDHN CC([C@@H](OC(=O)/C=C/C1(C)CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876371 730905493 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O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOc3ccc(Cl)cc3)C2)nc1 ZINC000112654989 495217443 /nfs/dbraw/zinc/21/74/43/495217443.db2.gz ACIRDHAVQVKRGZ-CQSZACIVSA-N 0 3 362.817 3.208 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119732821 495228823 /nfs/dbraw/zinc/22/88/23/495228823.db2.gz JFHKITPBCGUCKR-BBRMVZONSA-N 0 3 373.840 3.499 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccco1 ZINC000574427593 505770955 /nfs/dbraw/zinc/77/09/55/505770955.db2.gz AOLLKUIDBPVZBZ-SWLSCSKDSA-N 0 3 360.414 3.089 20 5 FGBDHN COc1ccccc1CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000104711108 495299654 /nfs/dbraw/zinc/29/96/54/495299654.db2.gz VAWGHGGMXUMSTK-UHFFFAOYSA-N 0 3 371.437 3.415 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114645132 495403966 /nfs/dbraw/zinc/40/39/66/495403966.db2.gz VRMMROOWASXHFW-GOSISDBHSA-N 0 3 353.422 3.298 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114710149 495412763 /nfs/dbraw/zinc/41/27/63/495412763.db2.gz HZQZWGUROOXWAU-KRWDZBQOSA-N 0 3 368.437 3.031 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000115566651 495518685 /nfs/dbraw/zinc/51/86/85/495518685.db2.gz AJXKPWDHDGQFPB-UHFFFAOYSA-N 0 3 374.485 3.038 20 5 FGBDHN Cc1c([C@H](C)NC[C@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000158704404 495572117 /nfs/dbraw/zinc/57/21/17/495572117.db2.gz QHGRYLWPAIYUAF-HKUYNNGSSA-N 0 3 369.465 3.455 20 5 FGBDHN CN(C)C[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632438 495643535 /nfs/dbraw/zinc/64/35/35/495643535.db2.gz VADJQSWZTZVJDI-CYBMUJFWSA-N 0 3 371.890 3.283 20 5 FGBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000574532181 505794772 /nfs/dbraw/zinc/79/47/72/505794772.db2.gz VLYSHWMEXRGMLR-HNNXBMFYSA-N 0 3 354.410 3.097 20 5 FGBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])CCc1nccs1 ZINC000159231670 495688644 /nfs/dbraw/zinc/68/86/44/495688644.db2.gz ZBAQPIBCWPAJBY-UHFFFAOYSA-N 0 3 351.428 3.003 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176578793 495706479 /nfs/dbraw/zinc/70/64/79/495706479.db2.gz WBMZHUMHYFMCOP-UAGQMJEPSA-N 0 3 360.458 3.232 20 5 FGBDHN CCS(=O)(=O)c1ccc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000159372752 495719550 /nfs/dbraw/zinc/71/95/50/495719550.db2.gz GPSGEPMOVZRESL-AWEZNQCLSA-N 0 3 362.451 3.282 20 5 FGBDHN Cc1sc(C(=O)Nc2ccc(C)cc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000151375440 495820066 /nfs/dbraw/zinc/82/00/66/495820066.db2.gz WHJPDNNZDXIKJU-UHFFFAOYSA-N 0 3 363.439 3.466 20 5 FGBDHN Cc1c([C@H](C)[NH2+]CCCNC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000155059505 495820293 /nfs/dbraw/zinc/82/02/93/495820293.db2.gz NZTBYIMPYMYSLH-AWEZNQCLSA-N 0 3 357.410 3.080 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151385623 495824048 /nfs/dbraw/zinc/82/40/48/495824048.db2.gz KEXGEIMNENYBOX-WBMJQRKESA-N 0 3 374.409 3.341 20 5 FGBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 ZINC000159865044 495827992 /nfs/dbraw/zinc/82/79/92/495827992.db2.gz COBJEYMPECSLKY-APWZRJJASA-N 0 3 355.438 3.272 20 5 FGBDHN COc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000160129880 495891208 /nfs/dbraw/zinc/89/12/08/495891208.db2.gz WVOUXZVWRBHHHN-UHFFFAOYSA-N 0 3 372.425 3.084 20 5 FGBDHN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000186320313 495945812 /nfs/dbraw/zinc/94/58/12/495945812.db2.gz OKAPKGOEWYVRAG-IBGZPJMESA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177144680 495946534 /nfs/dbraw/zinc/94/65/34/495946534.db2.gz ANDMWCBKLMTJOT-DGCLKSJQSA-N 0 3 372.450 3.073 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000177192613 495969100 /nfs/dbraw/zinc/96/91/00/495969100.db2.gz IZKQWKIEKKZCFQ-MAUKXSAKSA-N 0 3 368.437 3.057 20 5 FGBDHN CC1(C)CN(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000171766589 496027895 /nfs/dbraw/zinc/02/78/95/496027895.db2.gz LPMCEYCZRSGXGU-UHFFFAOYSA-N 0 3 359.426 3.055 20 5 FGBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180670928 496097784 /nfs/dbraw/zinc/09/77/84/496097784.db2.gz LXNVFODBDBWYLO-CQSZACIVSA-N 0 3 365.393 3.070 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2cc(F)ccc2C1 ZINC000580726044 505823685 /nfs/dbraw/zinc/82/36/85/505823685.db2.gz IJPBEORGMVQLGX-LRDDRELGSA-N 0 3 373.384 3.044 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1nnc2n1CCCC2 ZINC000183863378 496140327 /nfs/dbraw/zinc/14/03/27/496140327.db2.gz OIIWIDVPWGJPBB-HOCLYGCPSA-N 0 3 355.442 3.024 20 5 FGBDHN C[C@@H](C(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183888166 496148041 /nfs/dbraw/zinc/14/80/41/496148041.db2.gz PRPDVOBVTXBABB-LSDHHAIUSA-N 0 3 373.428 3.474 20 5 FGBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174923635 496166373 /nfs/dbraw/zinc/16/63/73/496166373.db2.gz RNEVLQYDFCQEDA-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN COc1ccc(OCCN(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183935997 496168047 /nfs/dbraw/zinc/16/80/47/496168047.db2.gz XCLWHKZIDHIJQW-LBPRGKRZSA-N 0 3 351.428 3.174 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCC2CCS(=O)(=O)CC2)c2ccccc2)c1 ZINC000181024758 496245420 /nfs/dbraw/zinc/24/54/20/496245420.db2.gz QBDDJHJGWOHJOO-LJQANCHMSA-N 0 3 374.462 3.099 20 5 FGBDHN CC(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000152915639 496295061 /nfs/dbraw/zinc/29/50/61/496295061.db2.gz YHAKBKPNAJFGFG-GFCCVEGCSA-N 0 3 363.801 3.219 20 5 FGBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181421374 496388221 /nfs/dbraw/zinc/38/82/21/496388221.db2.gz UWTCHQAXRPHZBC-KUHUBIRLSA-N 0 3 369.421 3.106 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181541402 496438480 /nfs/dbraw/zinc/43/84/80/496438480.db2.gz HIOBRTSWWGFKNQ-ZIAGYGMSSA-N 0 3 357.410 3.324 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2C[C@H]1C ZINC000172909813 496487106 /nfs/dbraw/zinc/48/71/06/496487106.db2.gz FBJWFZXGINVHIA-CQSZACIVSA-N 0 3 369.421 3.379 20 5 FGBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000181696324 496506184 /nfs/dbraw/zinc/50/61/84/496506184.db2.gz PTKQQPUXWLITTG-GOSISDBHSA-N 0 3 357.410 3.209 20 5 FGBDHN COCCC1(CN[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000184720682 496506623 /nfs/dbraw/zinc/50/66/23/496506623.db2.gz BVYIUUVYJNBFEL-OAHLLOKOSA-N 0 3 363.458 3.498 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000172982228 496508342 /nfs/dbraw/zinc/50/83/42/496508342.db2.gz UTTMZFVENMFLLE-IBGZPJMESA-N 0 3 353.422 3.091 20 5 FGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000182005120 496631799 /nfs/dbraw/zinc/63/17/99/496631799.db2.gz UPZCVYYMQVQDKO-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000153994447 496647869 /nfs/dbraw/zinc/64/78/69/496647869.db2.gz GQHZZYSOFCOLFC-ZBFHGGJFSA-N 0 3 373.457 3.047 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000153994350 496648188 /nfs/dbraw/zinc/64/81/88/496648188.db2.gz GQHZZYSOFCOLFC-GOEBONIOSA-N 0 3 373.457 3.047 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188057118 496666363 /nfs/dbraw/zinc/66/63/63/496666363.db2.gz HCTBZGSMDHHKGK-STQMWFEESA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182196740 496703447 /nfs/dbraw/zinc/70/34/47/496703447.db2.gz GQPKTKAEBVUXQP-OCCSQVGLSA-N 0 3 366.364 3.306 20 5 FGBDHN CC(C)C[C@@]1(CO)CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191670192 496851587 /nfs/dbraw/zinc/85/15/87/496851587.db2.gz XFBFDSIJQUNQND-GOSISDBHSA-N 0 3 360.414 3.018 20 5 FGBDHN CC(C)C[C@]1(CO)CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191670175 496851641 /nfs/dbraw/zinc/85/16/41/496851641.db2.gz XFBFDSIJQUNQND-SFHVURJKSA-N 0 3 360.414 3.018 20 5 FGBDHN CC(=O)NC1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000264537194 496923107 /nfs/dbraw/zinc/92/31/07/496923107.db2.gz NPAPOFCKQYKBTC-UHFFFAOYSA-N 0 3 357.410 3.392 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000248063372 496949620 /nfs/dbraw/zinc/94/96/20/496949620.db2.gz ZKIGFOQSMYDOOG-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192137050 497007454 /nfs/dbraw/zinc/00/74/54/497007454.db2.gz BOGCCFJZRISZDP-YJBOKZPZSA-N 0 3 364.348 3.372 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccnc(OC2CCOCC2)c1 ZINC000264939851 497015346 /nfs/dbraw/zinc/01/53/46/497015346.db2.gz FPSWYBCPWRJVFC-HWKANZROSA-N 0 3 369.421 3.351 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000248540711 497034642 /nfs/dbraw/zinc/03/46/42/497034642.db2.gz BLGKKKROGLDNPQ-NSISKUIASA-N 0 3 372.421 3.318 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192637566 497170916 /nfs/dbraw/zinc/17/09/16/497170916.db2.gz VNJVNOQEJZYWDL-KRWDZBQOSA-N 0 3 357.458 3.078 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265829393 497190150 /nfs/dbraw/zinc/19/01/50/497190150.db2.gz SMWBHPAMTWHSDX-UHFFFAOYSA-N 0 3 355.438 3.250 20 5 FGBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000249707722 497233998 /nfs/dbraw/zinc/23/39/98/497233998.db2.gz BOPYPFZNAWLFSR-CRAIPNDOSA-N 0 3 374.437 3.426 20 5 FGBDHN COc1ccc(C(=O)NCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192972953 497263582 /nfs/dbraw/zinc/26/35/82/497263582.db2.gz JBQWASOUHKEWQJ-IBGZPJMESA-N 0 3 369.421 3.000 20 5 FGBDHN Cn1cc(CN2CCCC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271184219 497283700 /nfs/dbraw/zinc/28/37/00/497283700.db2.gz MFJWKLQWCGYTCT-UHFFFAOYSA-N 0 3 370.453 3.388 20 5 FGBDHN COCC1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000271186923 497284497 /nfs/dbraw/zinc/28/44/97/497284497.db2.gz NINRXHMRYSLNJG-UHFFFAOYSA-N 0 3 362.451 3.297 20 5 FGBDHN Cc1cc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000193134335 497310320 /nfs/dbraw/zinc/31/03/20/497310320.db2.gz RZAXNUNRYDDOSE-WFASDCNBSA-N 0 3 350.440 3.364 20 5 FGBDHN Cc1c([C@H](C)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000245573969 497463206 /nfs/dbraw/zinc/46/32/06/497463206.db2.gz DBWHFGDYYZTQMG-YTQUADARSA-N 0 3 369.465 3.189 20 5 FGBDHN CNC(=O)c1ccc(SCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193745549 497465973 /nfs/dbraw/zinc/46/59/73/497465973.db2.gz JPRDDZYFBZQQNM-UHFFFAOYSA-N 0 3 359.451 3.179 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495578 497567492 /nfs/dbraw/zinc/56/74/92/497567492.db2.gz XBLSLESDXTYZPV-QFBILLFUSA-N 0 3 367.449 3.164 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000194712308 497746866 /nfs/dbraw/zinc/74/68/66/497746866.db2.gz SJHIVWHYFWZSJJ-QGZVFWFLSA-N 0 3 353.422 3.298 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000575188429 505939197 /nfs/dbraw/zinc/93/91/97/505939197.db2.gz YNDJIKHTSXIXFC-HNNXBMFYSA-N 0 3 371.437 3.244 20 5 FGBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299723784 497908932 /nfs/dbraw/zinc/90/89/32/497908932.db2.gz TVKUGBYPBKZDPX-INIZCTEOSA-N 0 3 357.414 3.100 20 5 FGBDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299728051 497910387 /nfs/dbraw/zinc/91/03/87/497910387.db2.gz VQGGSFGLWJRIJF-KRWDZBQOSA-N 0 3 372.425 3.410 20 5 FGBDHN O=C(CCN1CC[C@H](O)c2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364627551 498057006 /nfs/dbraw/zinc/05/70/06/498057006.db2.gz DCHXLDCTMUPESD-SFHVURJKSA-N 0 3 373.384 3.002 20 5 FGBDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285404638 498074636 /nfs/dbraw/zinc/07/46/36/498074636.db2.gz BCCACCAIAUQVOO-CZUORRHYSA-N 0 3 360.414 3.160 20 5 FGBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN([C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296531036 498081337 /nfs/dbraw/zinc/08/13/37/498081337.db2.gz QLOJFBYBNPRDQH-NBQZKYEYSA-N 0 3 365.433 3.253 20 5 FGBDHN COCCCOc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285433362 498082590 /nfs/dbraw/zinc/08/25/90/498082590.db2.gz YSFZOTTVKADVQP-AWEZNQCLSA-N 0 3 359.426 3.443 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000364693805 498092704 /nfs/dbraw/zinc/09/27/04/498092704.db2.gz FBMNPRFMAWLLDT-IBGZPJMESA-N 0 3 367.449 3.166 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289440990 498147575 /nfs/dbraw/zinc/14/75/75/498147575.db2.gz DTSBFRCFFIBMRP-PKOBYXMFSA-N 0 3 373.453 3.265 20 5 FGBDHN CC1CCN(C[C@@H](O)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301541275 498155059 /nfs/dbraw/zinc/15/50/59/498155059.db2.gz NNOSOUNKEDMCHZ-ZDUSSCGKSA-N 0 3 361.364 3.118 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620307 498191462 /nfs/dbraw/zinc/19/14/62/498191462.db2.gz MJJHPOKRLRASIJ-RHSMWYFYSA-N 0 3 368.437 3.029 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620309 498191700 /nfs/dbraw/zinc/19/17/00/498191700.db2.gz MJJHPOKRLRASIJ-WMLDXEAASA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296829920 498213633 /nfs/dbraw/zinc/21/36/33/498213633.db2.gz SQXIEALVULIOPA-QWHCGFSZSA-N 0 3 350.394 3.133 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000365008835 498253292 /nfs/dbraw/zinc/25/32/92/498253292.db2.gz FMHCIUHAHVBIEX-MRXNPFEDSA-N 0 3 367.384 3.097 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 ZINC000365008834 498254000 /nfs/dbraw/zinc/25/40/00/498254000.db2.gz FMHCIUHAHVBIEX-INIZCTEOSA-N 0 3 367.384 3.097 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848135 498291508 /nfs/dbraw/zinc/29/15/08/498291508.db2.gz VGYDDJFJNSSDLE-HZPDHXFCSA-N 0 3 370.409 3.024 20 5 FGBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000297248967 498375784 /nfs/dbraw/zinc/37/57/84/498375784.db2.gz SZGMQOFGXBVLHK-UHFFFAOYSA-N 0 3 371.359 3.360 20 5 FGBDHN Cc1cc(N(C)CC(C)(C)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302062021 498390439 /nfs/dbraw/zinc/39/04/39/498390439.db2.gz CTZQXCNDJMSJQR-UHFFFAOYSA-N 0 3 372.469 3.246 20 5 FGBDHN CCc1ccc(C(=O)N2CC[C@@H](N)c3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000365492152 498495665 /nfs/dbraw/zinc/49/56/65/498495665.db2.gz LSTKXQOXBPNEOY-MRXNPFEDSA-N 0 3 355.394 3.216 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297688578 498536683 /nfs/dbraw/zinc/53/66/83/498536683.db2.gz GYQLCAVDVMNXOT-LLVKDONJSA-N 0 3 373.375 3.416 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302698336 498536733 /nfs/dbraw/zinc/53/67/33/498536733.db2.gz WTALWYZFFSAKQZ-OAHLLOKOSA-N 0 3 371.485 3.137 20 5 FGBDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332325543 498649398 /nfs/dbraw/zinc/64/93/98/498649398.db2.gz JCUBZBULDQINEC-DJJJIMSYSA-N 0 3 364.442 3.128 20 5 FGBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000332516862 498709343 /nfs/dbraw/zinc/70/93/43/498709343.db2.gz AMPRTPJCBIARLI-UHFFFAOYSA-N 0 3 350.394 3.216 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(c4c[nH]cn4)CC3)o2)c1 ZINC000363449286 498826627 /nfs/dbraw/zinc/82/66/27/498826627.db2.gz JXJVHFGARXPZAU-UHFFFAOYSA-N 0 3 367.409 3.395 20 5 FGBDHN Cc1ccc([C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)N2CCCC2)o1 ZINC000570126603 506096316 /nfs/dbraw/zinc/09/63/16/506096316.db2.gz GAKMRFFSFSKWFX-MRXNPFEDSA-N 0 3 367.409 3.110 20 5 FGBDHN C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000291723242 499047907 /nfs/dbraw/zinc/04/79/07/499047907.db2.gz RFGDOFXBBPFYJU-SECBINFHSA-N 0 3 358.225 3.282 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000363958238 499067396 /nfs/dbraw/zinc/06/73/96/499067396.db2.gz CEOQQCADVWXAQD-MEDUHNTESA-N 0 3 363.414 3.218 20 5 FGBDHN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000295777285 499099907 /nfs/dbraw/zinc/09/99/07/499099907.db2.gz JBAHCCBPRGJEAJ-UHFFFAOYSA-N 0 3 351.834 3.339 20 5 FGBDHN COCCn1cc2c(n1)[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000368186721 499272419 /nfs/dbraw/zinc/27/24/19/499272419.db2.gz ALSPBPODSAZCHM-CRAIPNDOSA-N 0 3 372.469 3.426 20 5 FGBDHN Cc1c(C(=O)NC2CCN(Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000368803041 499334256 /nfs/dbraw/zinc/33/42/56/499334256.db2.gz VAQUCJWOHRSKHA-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000368930934 499347932 /nfs/dbraw/zinc/34/79/32/499347932.db2.gz MGVZGPUNAGNYSY-AATRIKPKSA-N 0 3 366.421 3.130 20 5 FGBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2ccncc2)CC1 ZINC000368931708 499347970 /nfs/dbraw/zinc/34/79/70/499347970.db2.gz OYLFGRNMYIMVOJ-UHFFFAOYSA-N 0 3 374.828 3.384 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2N2CCOCC2)c2ccncc21 ZINC000369005819 499356164 /nfs/dbraw/zinc/35/61/64/499356164.db2.gz XAPFXDWZECACHR-KSSFIOAISA-N 0 3 356.426 3.056 20 5 FGBDHN COCc1nccc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000371889093 499375897 /nfs/dbraw/zinc/37/58/97/499375897.db2.gz VCJZROMCMJXLEG-MRXNPFEDSA-N 0 3 356.426 3.219 20 5 FGBDHN COc1ccc2oc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc2c1 ZINC000369558915 499417362 /nfs/dbraw/zinc/41/73/62/499417362.db2.gz ZWDIVFDVDRDBNX-UHFFFAOYSA-N 0 3 356.382 3.383 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000369571405 499420689 /nfs/dbraw/zinc/42/06/89/499420689.db2.gz WUKCJPDPRZTBQA-CXAGYDPISA-N 0 3 359.451 3.388 20 5 FGBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCc2cccnc21 ZINC000375562621 499532898 /nfs/dbraw/zinc/53/28/98/499532898.db2.gz CYOWBOUIHSQRFF-QGZVFWFLSA-N 0 3 372.400 3.467 20 5 FGBDHN Cc1c(CNC[C@@H](O)COCc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000393013397 499559687 /nfs/dbraw/zinc/55/96/87/499559687.db2.gz WSVONDHRLSRQAU-MRXNPFEDSA-N 0 3 364.829 3.224 20 5 FGBDHN CNc1c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000397999504 499565748 /nfs/dbraw/zinc/56/57/48/499565748.db2.gz MKCDTLYHAKQWCU-ZBFHGGJFSA-N 0 3 368.437 3.029 20 5 FGBDHN O=C(Nc1cccc2c1CNCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000375938089 499570102 /nfs/dbraw/zinc/57/01/02/499570102.db2.gz OAFFAKFLGONJLJ-UHFFFAOYSA-N 0 3 366.421 3.093 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](n4cncn4)C3)s2)cc1 ZINC000377284309 499676661 /nfs/dbraw/zinc/67/66/61/499676661.db2.gz ZVHWOHARZKAAAG-OAHLLOKOSA-N 0 3 355.423 3.362 20 5 FGBDHN COc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)cc1[N+](=O)[O-] ZINC000576434394 506157199 /nfs/dbraw/zinc/15/71/99/506157199.db2.gz DDAABJQZVZDDPF-KRWDZBQOSA-N 0 3 353.422 3.240 20 5 FGBDHN COc1cc(CN[C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000573267711 506157484 /nfs/dbraw/zinc/15/74/84/506157484.db2.gz QEEOLKWLOIXSKJ-HBYGRHMLSA-N 0 3 360.332 3.433 20 5 FGBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411522917 499751153 /nfs/dbraw/zinc/75/11/53/499751153.db2.gz GLLOGJMJGXOPNW-RDTXWAMCSA-N 0 3 354.410 3.402 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377992387 499754125 /nfs/dbraw/zinc/75/41/25/499754125.db2.gz QYEPAJZTIGJCLO-KXBFYZLASA-N 0 3 356.426 3.241 20 5 FGBDHN COc1ccc(OCCN2CCSC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000411873523 499798538 /nfs/dbraw/zinc/79/85/38/499798538.db2.gz YGXBCAOFDWOVHN-UHFFFAOYSA-N 0 3 352.456 3.344 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)c2ccc(F)cc2)c1 ZINC000414534639 499804608 /nfs/dbraw/zinc/80/46/08/499804608.db2.gz VJKNWNXPSSWFOF-CYBMUJFWSA-N 0 3 370.327 3.201 20 5 FGBDHN COC(=O)[C@]1(C)CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000412079379 499821238 /nfs/dbraw/zinc/82/12/38/499821238.db2.gz VBTKMGIMXGSYES-LJQANCHMSA-N 0 3 373.409 3.067 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000421383426 500034044 /nfs/dbraw/zinc/03/40/44/500034044.db2.gz DBOVHLGGTDARHJ-MRXNPFEDSA-N 0 3 362.426 3.159 20 5 FGBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H](O)CO ZINC000421412549 500040976 /nfs/dbraw/zinc/04/09/76/500040976.db2.gz SYDWMELTDLMBBS-CYBMUJFWSA-N 0 3 368.817 3.072 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COCc2ccccc21 ZINC000417413988 500066691 /nfs/dbraw/zinc/06/66/91/500066691.db2.gz XZSZXPCQHKUWFV-UGSOOPFHSA-N 0 3 355.394 3.173 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000421533737 500074442 /nfs/dbraw/zinc/07/44/42/500074442.db2.gz KSGPAUDRKSFCOL-GOSISDBHSA-N 0 3 367.449 3.464 20 5 FGBDHN COc1cc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000425618383 500161444 /nfs/dbraw/zinc/16/14/44/500161444.db2.gz FSPJKFAZUZQQQZ-INIZCTEOSA-N 0 3 369.421 3.127 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H](C)C2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000421866740 500166177 /nfs/dbraw/zinc/16/61/77/500166177.db2.gz OALHCGZORUWJND-UONOGXRCSA-N 0 3 352.431 3.228 20 5 FGBDHN CCN(Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H](C)CO ZINC000430093030 500191250 /nfs/dbraw/zinc/19/12/50/500191250.db2.gz CGWMCOOIVXTEMF-OAHLLOKOSA-N 0 3 374.437 3.385 20 5 FGBDHN CC[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000422092441 500214095 /nfs/dbraw/zinc/21/40/95/500214095.db2.gz XQFOHRYBGMXFQA-IBGZPJMESA-N 0 3 366.421 3.308 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OC2CCC2)CC1 ZINC000419295285 500350073 /nfs/dbraw/zinc/35/00/73/500350073.db2.gz BYCGEEXMLVZIQS-UHFFFAOYSA-N 0 3 361.442 3.265 20 5 FGBDHN CCC[C@@H](Nc1ccc(N2CCNCC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000423229851 500356630 /nfs/dbraw/zinc/35/66/30/500356630.db2.gz HYHNWLUUKJZHPP-GOSISDBHSA-N 0 3 355.442 3.353 20 5 FGBDHN CC1(C)C[C@@H](Nc2ccc(N3CCNCC3)cn2)c2cc([N+](=O)[O-])ccc21 ZINC000423237466 500357167 /nfs/dbraw/zinc/35/71/67/500357167.db2.gz TYYPHZOXACGHDA-GOSISDBHSA-N 0 3 367.453 3.234 20 5 FGBDHN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H](N)c1ccccc1 ZINC000423719551 500396838 /nfs/dbraw/zinc/39/68/38/500396838.db2.gz FMSGPGCKWKNPEF-LIRRHRJNSA-N 0 3 353.422 3.422 20 5 FGBDHN COc1ccc(F)cc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000427853686 500440377 /nfs/dbraw/zinc/44/03/77/500440377.db2.gz XBOPQSIAMIJFSF-GFCCVEGCSA-N 0 3 361.373 3.249 20 5 FGBDHN CCc1[n-]nc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1[N+](=O)[O-] ZINC000420483041 500463145 /nfs/dbraw/zinc/46/31/45/500463145.db2.gz LNCFJQWZHIKHAO-UHFFFAOYSA-N 0 3 368.397 3.193 20 5 FGBDHN CS(=O)(=O)CCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000424314298 500485132 /nfs/dbraw/zinc/48/51/32/500485132.db2.gz ZXLGOHLRAIAJCC-SFHVURJKSA-N 0 3 362.451 3.099 20 5 FGBDHN CS(=O)(=O)CCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000424314296 500485143 /nfs/dbraw/zinc/48/51/43/500485143.db2.gz ZXLGOHLRAIAJCC-GOSISDBHSA-N 0 3 362.451 3.099 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432323176 500498984 /nfs/dbraw/zinc/49/89/84/500498984.db2.gz BKWUOYBURPOWNT-GASCZTMLSA-N 0 3 358.442 3.444 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810344 500560393 /nfs/dbraw/zinc/56/03/93/500560393.db2.gz XSEZMRSVJIEZBH-QRWLVFNGSA-N 0 3 354.406 3.473 20 5 FGBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437196556 500613022 /nfs/dbraw/zinc/61/30/22/500613022.db2.gz UWNBJNMNOZVOHU-UHFFFAOYSA-N 0 3 359.348 3.219 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cn3cc(Cl)ccc3n2)n1 ZINC000447543414 500621023 /nfs/dbraw/zinc/62/10/23/500621023.db2.gz RZKQQYXLTICPJN-HUUCEWRRSA-N 0 3 374.832 3.366 20 5 FGBDHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cccc([N+](=O)[O-])c3C)C2)n(C)n1 ZINC000447555881 500623689 /nfs/dbraw/zinc/62/36/89/500623689.db2.gz DDEORYMSKZFGFB-HZPDHXFCSA-N 0 3 357.458 3.265 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]1Cc1ccccc1 ZINC000437829156 500702089 /nfs/dbraw/zinc/70/20/89/500702089.db2.gz OEXQRQQKZYNYFI-INIZCTEOSA-N 0 3 367.405 3.210 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000433864414 500756955 /nfs/dbraw/zinc/75/69/55/500756955.db2.gz JUTKYUMVPCSVTN-OAHLLOKOSA-N 0 3 373.457 3.036 20 5 FGBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000438286230 500763317 /nfs/dbraw/zinc/76/33/17/500763317.db2.gz SQRCEVLQNJQXQP-OAHLLOKOSA-N 0 3 373.453 3.132 20 5 FGBDHN CCn1cc([C@H]2OCCC[C@@H]2NC/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000433933827 500767136 /nfs/dbraw/zinc/76/71/36/500767136.db2.gz XGMQTISTTWBCFD-JZJRWUJFSA-N 0 3 356.426 3.334 20 5 FGBDHN CN(C)C1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCC1 ZINC000438529080 500797939 /nfs/dbraw/zinc/79/79/39/500797939.db2.gz IPOJQOUJDSFLFJ-UHFFFAOYSA-N 0 3 367.424 3.035 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434352903 500830754 /nfs/dbraw/zinc/83/07/54/500830754.db2.gz QKNLCODVJAWUGE-SFHVURJKSA-N 0 3 372.469 3.286 20 5 FGBDHN Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc([N+](=O)[O-])c1 ZINC000444461482 500850277 /nfs/dbraw/zinc/85/02/77/500850277.db2.gz SMTFSDGFVXXDDU-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN Cc1ccc([C@@]2(C)CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748191 500888784 /nfs/dbraw/zinc/88/87/84/500888784.db2.gz NZLSISWFHCRUBZ-NQIIRXRSSA-N 0 3 370.449 3.307 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCCN2C2CC2)c1 ZINC000434794548 500896200 /nfs/dbraw/zinc/89/62/00/500896200.db2.gz OFBKAPQJNUFBAD-HNNXBMFYSA-N 0 3 355.385 3.303 20 5 FGBDHN CCOC(=O)[C@]1(COC)CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000439464538 500900277 /nfs/dbraw/zinc/90/02/77/500900277.db2.gz CTQSJJJRGPURRF-HNAYVOBHSA-N 0 3 364.442 3.256 20 5 FGBDHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000444824319 500907410 /nfs/dbraw/zinc/90/74/10/500907410.db2.gz AUXIYNDYECSGJX-UHFFFAOYSA-N 0 3 358.442 3.345 20 5 FGBDHN CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449501749 501019756 /nfs/dbraw/zinc/01/97/56/501019756.db2.gz WBPKKNZAHKMYHJ-RDTXWAMCSA-N 0 3 358.442 3.242 20 5 FGBDHN COc1ccc(OCCN(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056446 501081712 /nfs/dbraw/zinc/08/17/12/501081712.db2.gz YLQJNTYJSMFNRM-VBKZILBWSA-N 0 3 372.421 3.306 20 5 FGBDHN C[C@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582460891 506233492 /nfs/dbraw/zinc/23/34/92/506233492.db2.gz YDYOQFCTPBAKIU-HNNXBMFYSA-N 0 3 371.437 3.414 20 5 FGBDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000441281270 501114085 /nfs/dbraw/zinc/11/40/85/501114085.db2.gz TZNBLRNHDQYNBF-LKTVYLICSA-N 0 3 355.822 3.122 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840274 501171892 /nfs/dbraw/zinc/17/18/92/501171892.db2.gz YDFWCRSVKRQOBU-KUHUBIRLSA-N 0 3 365.437 3.081 20 5 FGBDHN C[C@@H](CCc1n[nH]c2ccccc21)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838955 501171941 /nfs/dbraw/zinc/17/19/41/501171941.db2.gz NSLOMJYWBSQBPT-LBPRGKRZSA-N 0 3 364.409 3.458 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840272 501171977 /nfs/dbraw/zinc/17/19/77/501171977.db2.gz YDFWCRSVKRQOBU-AUUYWEPGSA-N 0 3 365.437 3.081 20 5 FGBDHN COC(=O)[C@@](C)(CNC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000447057396 501198084 /nfs/dbraw/zinc/19/80/84/501198084.db2.gz CVLSHYYSIGJCAX-CYXJOQHWSA-N 0 3 372.396 3.468 20 5 FGBDHN Cc1cccc(CCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602647625 506244429 /nfs/dbraw/zinc/24/44/29/506244429.db2.gz ISCARFMTQCKFGU-UHFFFAOYSA-N 0 3 356.245 3.455 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000453235768 501296115 /nfs/dbraw/zinc/29/61/15/501296115.db2.gz MYRHJFIECXKZDV-ZFWWWQNUSA-N 0 3 360.435 3.125 20 5 FGBDHN CC[C@H]1CN(CC)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734996 501363167 /nfs/dbraw/zinc/36/31/67/501363167.db2.gz XSGULABOVYSPLD-INIZCTEOSA-N 0 3 358.442 3.208 20 5 FGBDHN COc1c(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)cccc1[N+](=O)[O-] ZINC000458192753 501388860 /nfs/dbraw/zinc/38/88/60/501388860.db2.gz BWTKHGDDIWNYTH-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000456335134 501501397 /nfs/dbraw/zinc/50/13/97/501501397.db2.gz MNIIBUMAQVWJFC-QGZVFWFLSA-N 0 3 367.449 3.118 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1(C)C ZINC000457060380 501642926 /nfs/dbraw/zinc/64/29/26/501642926.db2.gz SBWXHJWIQTVSOV-UHFFFAOYSA-N 0 3 351.472 3.311 20 5 FGBDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455096409 501687346 /nfs/dbraw/zinc/68/73/46/501687346.db2.gz RPYVKMIHGRSXBZ-YJBOKZPZSA-N 0 3 368.437 3.230 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCCCC3)[C@@H]2c2ccccc2)c1 ZINC000459760209 501710261 /nfs/dbraw/zinc/71/02/61/501710261.db2.gz WPYFPYFTZYOBEG-MOPGFXCFSA-N 0 3 370.453 3.160 20 5 FGBDHN CC(C)(C)N1C[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602717651 506271461 /nfs/dbraw/zinc/27/14/61/506271461.db2.gz IIOSNGJHGKBXRH-NSHDSACASA-N 0 3 373.375 3.350 20 5 FGBDHN O=[N+]([O-])c1cc(N2CCN(CC3CCOCC3)CC2)ccc1C(F)(F)F ZINC000596130787 506271642 /nfs/dbraw/zinc/27/16/42/506271642.db2.gz WZXGAOPHXKWSQB-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CCN(C2CC2)C1 ZINC000485394568 501808614 /nfs/dbraw/zinc/80/86/14/501808614.db2.gz IOUIIUYHSHVNJB-INIZCTEOSA-N 0 3 356.401 3.469 20 5 FGBDHN COc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000474390762 501818997 /nfs/dbraw/zinc/81/89/97/501818997.db2.gz QYOIDVFBESFKPS-SFHVURJKSA-N 0 3 369.421 3.170 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000485730187 501917751 /nfs/dbraw/zinc/91/77/51/501917751.db2.gz DOQARAIIYZBWOZ-CHWSQXEVSA-N 0 3 351.472 3.309 20 5 FGBDHN CC(C)[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000474928119 501994089 /nfs/dbraw/zinc/99/40/89/501994089.db2.gz GPHNMNLCSQUGIG-GJZGRUSLSA-N 0 3 354.472 3.173 20 5 FGBDHN COc1cc(CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000464681501 502062968 /nfs/dbraw/zinc/06/29/68/502062968.db2.gz FCECDTCUFXHEDR-KZULUSFZSA-N 0 3 354.422 3.409 20 5 FGBDHN O=C(NCCN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475203557 502098577 /nfs/dbraw/zinc/09/85/77/502098577.db2.gz GYHKHHAXXHZIAD-UHFFFAOYSA-N 0 3 360.336 3.221 20 5 FGBDHN CN(CCOCc1ccccc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000464851541 502121450 /nfs/dbraw/zinc/12/14/50/502121450.db2.gz PNFWFWZTXMZIQF-UHFFFAOYSA-N 0 3 357.410 3.072 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475301059 502125014 /nfs/dbraw/zinc/12/50/14/502125014.db2.gz KGHQOCPDWKSWIQ-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000475314434 502131138 /nfs/dbraw/zinc/13/11/38/502131138.db2.gz UHKSPNXLBUTQLI-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN Cc1cc(NCc2ccc(CN3CCN(C)CC3)cc2)c(F)cc1[N+](=O)[O-] ZINC000461772777 502197102 /nfs/dbraw/zinc/19/71/02/502197102.db2.gz CDCWDGKYBGXGDP-UHFFFAOYSA-N 0 3 372.444 3.402 20 5 FGBDHN COc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C ZINC000596189102 506299521 /nfs/dbraw/zinc/29/95/21/506299521.db2.gz FCTSISBFUQKWND-QGZVFWFLSA-N 0 3 371.437 3.091 20 5 FGBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475561042 502212626 /nfs/dbraw/zinc/21/26/26/502212626.db2.gz PZHFPCDOPALVSU-AWEZNQCLSA-N 0 3 350.415 3.157 20 5 FGBDHN CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CC)CC ZINC000486708128 502238371 /nfs/dbraw/zinc/23/83/71/502238371.db2.gz NQCJHKCVCNZVDX-AWEZNQCLSA-N 0 3 361.364 3.350 20 5 FGBDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948208 502249048 /nfs/dbraw/zinc/24/90/48/502249048.db2.gz MDYYMEGHPCDMQW-FUHWJXTLSA-N 0 3 373.428 3.337 20 5 FGBDHN CCC[C@H]1CCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475722466 502264554 /nfs/dbraw/zinc/26/45/54/502264554.db2.gz KQLDWUCHNVUAJJ-AWEZNQCLSA-N 0 3 350.415 3.159 20 5 FGBDHN CCNC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000486893090 502295992 /nfs/dbraw/zinc/29/59/92/502295992.db2.gz CYMXISQWBBKXMH-UHFFFAOYSA-N 0 3 357.410 3.251 20 5 FGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000475911943 502329909 /nfs/dbraw/zinc/32/99/09/502329909.db2.gz PQSSWSDJMMQAJS-AWEZNQCLSA-N 0 3 363.458 3.234 20 5 FGBDHN CCC(=O)c1ccc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480057987 502459371 /nfs/dbraw/zinc/45/93/71/502459371.db2.gz FCJDDEYRMVLKQW-GASCZTMLSA-N 0 3 363.458 3.489 20 5 FGBDHN CN(C)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000487534243 502471092 /nfs/dbraw/zinc/47/10/92/502471092.db2.gz GEWMZEZCEZLPQD-SFHVURJKSA-N 0 3 370.453 3.432 20 5 FGBDHN C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483722743 502476140 /nfs/dbraw/zinc/47/61/40/502476140.db2.gz IYUNCLOGMXYXRR-QZTJIDSGSA-N 0 3 368.481 3.456 20 5 FGBDHN CCN(C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487783306 502529190 /nfs/dbraw/zinc/52/91/90/502529190.db2.gz MKWWWLSBEGTPSW-UHFFFAOYSA-N 0 3 359.451 3.428 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000487813830 502536256 /nfs/dbraw/zinc/53/62/56/502536256.db2.gz BMUUZZRNPMTLBZ-CABCVRRESA-N 0 3 362.474 3.250 20 5 FGBDHN CCC[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1CCOC ZINC000488107512 502628718 /nfs/dbraw/zinc/62/87/18/502628718.db2.gz RJVKWHVBYVUYNB-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000462923261 502628801 /nfs/dbraw/zinc/62/88/01/502628801.db2.gz GHKWDURVYAEPNQ-FUHWJXTLSA-N 0 3 361.486 3.400 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])cc1Cl ZINC000470069968 502648138 /nfs/dbraw/zinc/64/81/38/502648138.db2.gz ZOEPBKJXXGFKKY-UHFFFAOYSA-N 0 3 370.787 3.490 20 5 FGBDHN CNc1c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000462985416 502651208 /nfs/dbraw/zinc/65/12/08/502651208.db2.gz HUPJENUNRPSOIG-CQSZACIVSA-N 0 3 370.453 3.496 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cc1Cl ZINC000470083570 502654135 /nfs/dbraw/zinc/65/41/35/502654135.db2.gz RDLQGQMMXIMECT-UHFFFAOYSA-N 0 3 370.787 3.490 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000484542532 502665189 /nfs/dbraw/zinc/66/51/89/502665189.db2.gz KNZASRIUVQGMMB-UHFFFAOYSA-N 0 3 364.446 3.333 20 5 FGBDHN CCN1CCN(c2ccc(Nc3ncc(C)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000463048603 502674492 /nfs/dbraw/zinc/67/44/92/502674492.db2.gz NBGRYXYXQDUCOG-UHFFFAOYSA-N 0 3 355.442 3.492 20 5 FGBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000470157565 502684749 /nfs/dbraw/zinc/68/47/49/502684749.db2.gz ZIPHGEDBQDOAJW-SWLSCSKDSA-N 0 3 374.393 3.247 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CC1)c1ccccc1N=C2C ZINC000602865047 506330619 /nfs/dbraw/zinc/33/06/19/506330619.db2.gz RZULIXUNQBOSMA-UHFFFAOYSA-N 0 3 353.426 3.240 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000470174531 502694321 /nfs/dbraw/zinc/69/43/21/502694321.db2.gz LVFROBFXRVDRHA-TXQCQQFXSA-N 0 3 359.470 3.183 20 5 FGBDHN C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000484718924 502719307 /nfs/dbraw/zinc/71/93/07/502719307.db2.gz KICGNAUBCQTTAS-KXBFYZLASA-N 0 3 370.453 3.128 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457828 502720408 /nfs/dbraw/zinc/72/04/08/502720408.db2.gz MNEXGCMHOSFKBH-BEFAXECRSA-N 0 3 353.422 3.235 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467043520 502768680 /nfs/dbraw/zinc/76/86/80/502768680.db2.gz DRSAMBVOJPNJBU-SUMWQHHRSA-N 0 3 357.385 3.127 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488702827 502785920 /nfs/dbraw/zinc/78/59/20/502785920.db2.gz NZTFLBHIOSETDZ-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN CN(C)[C@@]1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCSC1 ZINC000481217675 502787017 /nfs/dbraw/zinc/78/70/17/502787017.db2.gz HTIVRDLEJPQVJI-GOSISDBHSA-N 0 3 365.499 3.059 20 5 FGBDHN Cn1nccc1-c1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000513291893 502897772 /nfs/dbraw/zinc/89/77/72/502897772.db2.gz MOFWMGGMBVQAIO-UHFFFAOYSA-N 0 3 366.425 3.029 20 5 FGBDHN Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513302253 502900106 /nfs/dbraw/zinc/90/01/06/502900106.db2.gz TWKONRHSJLHVQO-SFHVURJKSA-N 0 3 353.422 3.298 20 5 FGBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489208180 502901467 /nfs/dbraw/zinc/90/14/67/502901467.db2.gz UTYQVXGMLHBSRK-GDBMZVCRSA-N 0 3 363.458 3.120 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](Cc2ccccc2)C2CC2)c1 ZINC000593020305 506341642 /nfs/dbraw/zinc/34/16/42/506341642.db2.gz GGACHUDGSLIEAX-GOSISDBHSA-N 0 3 354.406 3.492 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@@H]2COc3ccccc32)c1 ZINC000593023950 506342462 /nfs/dbraw/zinc/34/24/62/506342462.db2.gz HYBSUEOTBPHVID-WBMJQRKESA-N 0 3 356.378 3.036 20 5 FGBDHN O=C(CCN1CCC[C@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490054615 503099427 /nfs/dbraw/zinc/09/94/27/503099427.db2.gz NIXGYGMRMILYOO-SFHVURJKSA-N 0 3 368.437 3.500 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCCN(Cc3ccccc3)CC2)c1 ZINC000501877166 503099623 /nfs/dbraw/zinc/09/96/23/503099623.db2.gz QBIGMXHZTATJMA-UHFFFAOYSA-N 0 3 355.438 3.182 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036391 506352344 /nfs/dbraw/zinc/35/23/44/506352344.db2.gz DSVQJDOPIFGUOF-RDTXWAMCSA-N 0 3 371.412 3.228 20 5 FGBDHN COc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000490109914 503110320 /nfs/dbraw/zinc/11/03/20/503110320.db2.gz XORZULRLJZKDFQ-BETUJISGSA-N 0 3 355.410 3.044 20 5 FGBDHN CCOc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000490139017 503115628 /nfs/dbraw/zinc/11/56/28/503115628.db2.gz IWVDIICOTFEIGN-HUUCEWRRSA-N 0 3 351.447 3.295 20 5 FGBDHN C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593039060 506353405 /nfs/dbraw/zinc/35/34/05/506353405.db2.gz CBNMHOJZRCXTMI-YLJYHZDGSA-N 0 3 374.412 3.137 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000510519023 503131557 /nfs/dbraw/zinc/13/15/57/503131557.db2.gz BWLQPGNMKUGXIU-MGPUTAFESA-N 0 3 355.438 3.253 20 5 FGBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1N(C)C ZINC000502159041 503152593 /nfs/dbraw/zinc/15/25/93/503152593.db2.gz KOZHJCSOOIQRCE-JKSUJKDBSA-N 0 3 358.467 3.139 20 5 FGBDHN COc1cc(CN(CCO)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506779951 503170842 /nfs/dbraw/zinc/17/08/42/503170842.db2.gz USXYERULTCLUOC-UHFFFAOYSA-N 0 3 374.437 3.385 20 5 FGBDHN CC1(c2ccccc2)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000510754023 503186138 /nfs/dbraw/zinc/18/61/38/503186138.db2.gz SMMUPHQAQPHPJF-IBGZPJMESA-N 0 3 370.449 3.388 20 5 FGBDHN CCOc1ccc(NC(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511108869 503256638 /nfs/dbraw/zinc/25/66/38/503256638.db2.gz QVHSMQZWYZYQLD-UHFFFAOYSA-N 0 3 371.437 3.497 20 5 FGBDHN Cc1cc(NCCCN2CCCCCC2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918596 506363861 /nfs/dbraw/zinc/36/38/61/506363861.db2.gz OELGZBXBHICZRM-UHFFFAOYSA-N 0 3 356.426 3.078 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000503107377 503348199 /nfs/dbraw/zinc/34/81/99/503348199.db2.gz MDCUPEZMXHANPD-XJKSGUPXSA-N 0 3 374.441 3.425 20 5 FGBDHN CCOc1cc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582552 503375385 /nfs/dbraw/zinc/37/53/85/503375385.db2.gz LUVLQAWDUKHVPX-CVEARBPZSA-N 0 3 366.483 3.480 20 5 FGBDHN COc1cc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC000492955518 503395910 /nfs/dbraw/zinc/39/59/10/503395910.db2.gz SZQLLJHRYKUICK-ZDUSSCGKSA-N 0 3 353.382 3.035 20 5 FGBDHN COc1cc(CNC[C@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000493625362 503436406 /nfs/dbraw/zinc/43/64/06/503436406.db2.gz PZLQJQMZQYJHKC-BXUZGUMPSA-N 0 3 374.384 3.152 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000593069758 506373170 /nfs/dbraw/zinc/37/31/70/506373170.db2.gz UNLYIPKWWRODOP-LEWJYISDSA-N 0 3 367.449 3.070 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000494058345 503480676 /nfs/dbraw/zinc/48/06/76/503480676.db2.gz FQOGUBBMGWJRFP-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN CCn1cc(CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)C)cn1 ZINC000593082984 506383799 /nfs/dbraw/zinc/38/37/99/506383799.db2.gz XNSZRSMOPYNPJW-UHFFFAOYSA-N 0 3 373.457 3.359 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000517027283 503647398 /nfs/dbraw/zinc/64/73/98/503647398.db2.gz HIPDBXMIIJCHCM-GDBMZVCRSA-N 0 3 358.398 3.036 20 5 FGBDHN C[C@@H]1CCCCN1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543257662 503701990 /nfs/dbraw/zinc/70/19/90/503701990.db2.gz SOBPKSYYPKYFSO-GFCCVEGCSA-N 0 3 371.890 3.331 20 5 FGBDHN CC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000543455991 503778197 /nfs/dbraw/zinc/77/81/97/503778197.db2.gz LRTRXEUJNGZKEX-CQSZACIVSA-N 0 3 359.430 3.015 20 5 FGBDHN COc1ccc(OCCN[C@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000537175885 503828427 /nfs/dbraw/zinc/82/84/27/503828427.db2.gz FHDYGDPEWITJLI-QGZVFWFLSA-N 0 3 362.430 3.093 20 5 FGBDHN Cc1ccccc1[C@H](CO)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000543837253 503909438 /nfs/dbraw/zinc/90/94/38/503909438.db2.gz YCOJNZBWKWIUGK-SFHVURJKSA-N 0 3 367.405 3.424 20 5 FGBDHN CCOc1ccc(NC(=O)CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000543905033 503936066 /nfs/dbraw/zinc/93/60/66/503936066.db2.gz AXZYFWBHANURDD-JLJPHGGASA-N 0 3 361.442 3.443 20 5 FGBDHN COc1cc(CN[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000541202365 504040832 /nfs/dbraw/zinc/04/08/32/504040832.db2.gz HQMBSZFCRAWRPK-LSDHHAIUSA-N 0 3 374.437 3.431 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CCCn2ccnc2)CC1 ZINC000541202254 504041440 /nfs/dbraw/zinc/04/14/40/504041440.db2.gz QRFWROSUNBLJHB-UHFFFAOYSA-N 0 3 358.442 3.363 20 5 FGBDHN COc1cc(CN[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000541202361 504041567 /nfs/dbraw/zinc/04/15/67/504041567.db2.gz HQMBSZFCRAWRPK-GJZGRUSLSA-N 0 3 374.437 3.431 20 5 FGBDHN Cc1ccccc1C1CC(N(CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)C1 ZINC000534134210 504051035 /nfs/dbraw/zinc/05/10/35/504051035.db2.gz SNDZUDCJTIJPAJ-UHFFFAOYSA-N 0 3 367.449 3.476 20 5 FGBDHN CN1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H]1c1ccccc1 ZINC000534261093 504088271 /nfs/dbraw/zinc/08/82/71/504088271.db2.gz ZLHSLXLZEKWOIR-LPHOPBHVSA-N 0 3 364.405 3.251 20 5 FGBDHN Cc1ccccc1[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541326691 504091800 /nfs/dbraw/zinc/09/18/00/504091800.db2.gz QNYJIVOBFPHZPG-LJQANCHMSA-N 0 3 374.462 3.418 20 5 FGBDHN C[C@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000544464791 504144439 /nfs/dbraw/zinc/14/44/39/504144439.db2.gz WTRZALSFUUUBQP-YOEHRIQHSA-N 0 3 373.428 3.127 20 5 FGBDHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000538192029 504158129 /nfs/dbraw/zinc/15/81/29/504158129.db2.gz XIGWEKSBKSNTNR-RDTXWAMCSA-N 0 3 356.426 3.258 20 5 FGBDHN Cc1cnc([C@@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000541687884 504221883 /nfs/dbraw/zinc/22/18/83/504221883.db2.gz PJVDQPSYTVWGEK-LLVKDONJSA-N 0 3 362.411 3.009 20 5 FGBDHN CN(CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccncc1 ZINC000541856737 504277589 /nfs/dbraw/zinc/27/75/89/504277589.db2.gz ZQTUJAPFQWJERK-UHFFFAOYSA-N 0 3 354.410 3.007 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534989584 504303138 /nfs/dbraw/zinc/30/31/38/504303138.db2.gz IAJQLTLFOVHSDQ-UHFFFAOYSA-N 0 3 368.393 3.399 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCc2cc(Cl)ccc21 ZINC000519755562 504329456 /nfs/dbraw/zinc/32/94/56/504329456.db2.gz OBIQXLMZCLPONH-ZBFHGGJFSA-N 0 3 362.813 3.265 20 5 FGBDHN COC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2OC(C)C)CCCC1 ZINC000548097910 504329668 /nfs/dbraw/zinc/32/96/68/504329668.db2.gz OKAMXCCTCJVBPQ-UHFFFAOYSA-N 0 3 350.415 3.348 20 5 FGBDHN COc1ccc(CNC2(CO)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531758904 504414726 /nfs/dbraw/zinc/41/47/26/504414726.db2.gz BJXVCIRZICGPQH-UHFFFAOYSA-N 0 3 372.421 3.187 20 5 FGBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000535382716 504419718 /nfs/dbraw/zinc/41/97/18/504419718.db2.gz RPSOCQHZRXMNBQ-QGZVFWFLSA-N 0 3 356.422 3.128 20 5 FGBDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542258110 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FGBDHN Cc1cccc(-n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C(F)(F)F)c1 ZINC000813104645 726839425 /nfs/dbraw/zinc/83/94/25/726839425.db2.gz FOWAHHJRSJRZOK-JTQLQIEISA-N 0 3 357.288 3.022 20 5 FGBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000813107255 726839663 /nfs/dbraw/zinc/83/96/63/726839663.db2.gz NQPHPRDSVATBCG-NSHDSACASA-N 0 3 351.790 3.471 20 5 FGBDHN CC(COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)[N+](=O)[O-] ZINC000813107623 726839802 /nfs/dbraw/zinc/83/98/02/726839802.db2.gz PHUYVBRRWKJLAO-VIFPVBQESA-N 0 3 368.798 3.476 20 5 FGBDHN CC(COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107840 726839917 /nfs/dbraw/zinc/83/99/17/726839917.db2.gz QYPHHIXJDOBIBA-MCIONIFRSA-N 0 3 358.435 3.059 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCCN(C(C)(C)C)CC2)c1F ZINC000824632437 729351883 /nfs/dbraw/zinc/35/18/83/729351883.db2.gz JXMDIXTVIVWXON-UHFFFAOYSA-N 0 3 355.385 3.128 20 5 FGBDHN O=C(Nc1cc([N+](=O)[O-])ccc1F)C(C[C@H]1CCCO1)C(F)(F)F ZINC000844299602 730700161 /nfs/dbraw/zinc/70/01/61/730700161.db2.gz TVRNEXAVVOZBFQ-ZJUUUORDSA-N 0 3 350.268 3.420 20 5 FGBDHN CC([C@@H](OC(=O)CSCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845873979 730904862 /nfs/dbraw/zinc/90/48/62/730904862.db2.gz FSFJMMULRIOPRQ-PRHODGIISA-N 0 3 355.309 3.371 20 5 FGBDHN Cc1noc(C)c1CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873158 730904846 /nfs/dbraw/zinc/90/48/46/730904846.db2.gz RXKJAOXLRWVSNF-DIFFPNOSSA-N 0 3 350.346 3.313 20 5 FGBDHN COCc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845873107 730904890 /nfs/dbraw/zinc/90/48/90/730904890.db2.gz BNQAGPLNFCFRBC-HZMBPMFUSA-N 0 3 368.386 3.300 20 5 FGBDHN COCc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845873116 730904923 /nfs/dbraw/zinc/90/49/23/730904923.db2.gz BNQAGPLNFCFRBC-YGRLFVJLSA-N 0 3 368.386 3.300 20 5 FGBDHN Cc1nc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)s1 ZINC000845884348 730906117 /nfs/dbraw/zinc/90/61/17/730906117.db2.gz XZABSOVISTWKPL-ABKXIKBNSA-N 0 3 352.387 3.391 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000858822375 732249633 /nfs/dbraw/zinc/24/96/33/732249633.db2.gz CBYCCECDMUJBKW-UHFFFAOYSA-N 0 3 353.850 3.329 20 5 FGBDHN CCOC1CC2(C[C@@H]2C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000870454908 733854126 /nfs/dbraw/zinc/85/41/26/733854126.db2.gz RDDDHRJTWIDXKK-COMBXLOPSA-N 0 3 351.374 3.280 20 5 FGBDHN COC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000883219139 737537177 /nfs/dbraw/zinc/53/71/77/737537177.db2.gz MUWIVINREHQJNY-IUODEOHRSA-N 0 3 362.348 3.145 20 5 FGBDHN C[C@@H]1CC2(CC(NCc3ccc(Br)cc3[N+](=O)[O-])C2)CO1 ZINC000926849159 759831331 /nfs/dbraw/zinc/83/13/31/759831331.db2.gz HQGJVVPAPWSXHR-ZZJLNTIPSA-N 0 3 355.232 3.405 20 5 FGBDHN COc1cccc(N2CC[C@@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000576714650 505577331 /nfs/dbraw/zinc/57/73/31/505577331.db2.gz BWRNCFRLQXLGEZ-KUHUBIRLSA-N 0 3 353.422 3.459 20 5 FGBDHN C[C@@H]1CCc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573727160 505605245 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FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000006983567 493992288 /nfs/dbraw/zinc/99/22/88/493992288.db2.gz ZOEKJNRMDTYLBR-AWEZNQCLSA-N 0 3 373.478 3.453 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000069691904 493998712 /nfs/dbraw/zinc/99/87/12/493998712.db2.gz CXOPYQWEKRGBPP-IBGZPJMESA-N 0 3 355.438 3.498 20 5 FGBDHN CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000052072405 494002507 /nfs/dbraw/zinc/00/25/07/494002507.db2.gz FTWLSSSTJMVZKK-NSHDSACASA-N 0 3 360.357 3.063 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000071798510 494101626 /nfs/dbraw/zinc/10/16/26/494101626.db2.gz YLGCCWZILBZFDH-LJQANCHMSA-N 0 3 371.437 3.173 20 5 FGBDHN CN1CCC(N(Cc2ccco2)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071838576 494104135 /nfs/dbraw/zinc/10/41/35/494104135.db2.gz HYTIAEKEAXEXSX-RMKNXTFCSA-N 0 3 369.421 3.324 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000577306356 505702812 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20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000079556637 494480096 /nfs/dbraw/zinc/48/00/96/494480096.db2.gz CNOLDLPMMXXUPE-CRAIPNDOSA-N 0 3 353.422 3.378 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000067144836 494484182 /nfs/dbraw/zinc/48/41/82/494484182.db2.gz LELAZBUQPXPYLH-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000056530297 494521252 /nfs/dbraw/zinc/52/12/52/494521252.db2.gz BODKVTNGKRDQMM-KRWDZBQOSA-N 0 3 356.426 3.198 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000056530663 494521281 /nfs/dbraw/zinc/52/12/81/494521281.db2.gz LYYSRHONOQGPRZ-INIZCTEOSA-N 0 3 356.426 3.198 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000108078206 494641884 /nfs/dbraw/zinc/64/18/84/494641884.db2.gz YCPKEKDCFOVKED-UHFFFAOYSA-N 0 3 372.444 3.484 20 5 FGBDHN Cn1cnnc1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000091795113 494685422 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COc1ccc(CN(C)[C@@H]2CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000132190033 494837053 /nfs/dbraw/zinc/83/70/53/494837053.db2.gz SQQCWOOPNGZPNC-GOSISDBHSA-N 0 3 372.421 3.403 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000109276322 494853554 /nfs/dbraw/zinc/85/35/54/494853554.db2.gz QHZYBOBNKNLDEL-CYBMUJFWSA-N 0 3 356.426 3.157 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000109848123 494924226 /nfs/dbraw/zinc/92/42/26/494924226.db2.gz BFPCNZQWLSRPKG-AWEZNQCLSA-N 0 3 355.394 3.069 20 5 FGBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N(C)Cc1ccccc1 ZINC000110594914 494993361 /nfs/dbraw/zinc/99/33/61/494993361.db2.gz ZWEUQRBHXCESGG-CQSZACIVSA-N 0 3 368.437 3.412 20 5 FGBDHN NC(=O)CC[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000122716051 495020565 /nfs/dbraw/zinc/02/05/65/495020565.db2.gz JTICRFJMBSPXBR-AWEZNQCLSA-N 0 3 357.410 3.332 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000133690402 495046992 /nfs/dbraw/zinc/04/69/92/495046992.db2.gz UJOOEZBGLHAXFZ-TZMCWYRMSA-N 0 3 366.364 3.272 20 5 FGBDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000133912325 495078882 /nfs/dbraw/zinc/07/88/82/495078882.db2.gz AXTKAJUBHFCUGU-AWEZNQCLSA-N 0 3 359.401 3.431 20 5 FGBDHN CN(Cc1ccccc1)C(=O)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119076367 495086811 /nfs/dbraw/zinc/08/68/11/495086811.db2.gz JCGNRHFDMTWCON-LJQANCHMSA-N 0 3 367.449 3.164 20 5 FGBDHN CCC(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000134532668 495164417 /nfs/dbraw/zinc/16/44/17/495164417.db2.gz KUAHQDLYUNQPKI-CQSZACIVSA-N 0 3 359.451 3.424 20 5 FGBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)N(C)C)cc1SC ZINC000103206009 495204583 /nfs/dbraw/zinc/20/45/83/495204583.db2.gz HFCDPZXVPSFAJJ-LBPRGKRZSA-N 0 3 369.487 3.031 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000103252005 495210263 /nfs/dbraw/zinc/21/02/63/495210263.db2.gz DMOOUBMSMSXWAS-UHFFFAOYSA-N 0 3 372.400 3.492 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000104658751 495295416 /nfs/dbraw/zinc/29/54/16/495295416.db2.gz OZXDIOCAQJOSDL-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136631339 495390842 /nfs/dbraw/zinc/39/08/42/495390842.db2.gz DAIVTKUZLAYOMA-JHJVBQTASA-N 0 3 353.850 3.344 20 5 FGBDHN O=c1cc(CN2CCC[C@H](Cn3cncn3)C2)c2c(ccc3ccccc32)o1 ZINC000106176417 495423268 /nfs/dbraw/zinc/42/32/68/495423268.db2.gz UYSGKDDZVFIGLX-INIZCTEOSA-N 0 3 374.444 3.450 20 5 FGBDHN C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000137113858 495424191 /nfs/dbraw/zinc/42/41/91/495424191.db2.gz TWNRZLNJXWKRBB-OAHLLOKOSA-N 0 3 360.458 3.316 20 5 FGBDHN C[C@H](C(=O)NCCCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182362914 495533795 /nfs/dbraw/zinc/53/37/95/495533795.db2.gz YOJUVTXQOVDBSC-HNNXBMFYSA-N 0 3 373.428 3.476 20 5 FGBDHN CCOc1cccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182405527 495551903 /nfs/dbraw/zinc/55/19/03/495551903.db2.gz XTASRUWPOHRTKS-ZBFHGGJFSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@H](O)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000170691379 495568750 /nfs/dbraw/zinc/56/87/50/495568750.db2.gz ZPDMSHQGMCSLDR-LBPRGKRZSA-N 0 3 369.849 3.202 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393671 495573880 /nfs/dbraw/zinc/57/38/80/495573880.db2.gz QNVPZXAHKUIUKH-RDJZCZTQSA-N 0 3 365.474 3.001 20 5 FGBDHN C[C@@H](CN1CCCCCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000185440517 495577065 /nfs/dbraw/zinc/57/70/65/495577065.db2.gz OIJUVIHARLJWCK-AWEZNQCLSA-N 0 3 351.472 3.068 20 5 FGBDHN CC[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000179518477 495625418 /nfs/dbraw/zinc/62/54/18/495625418.db2.gz BKXATZHZKJIIKS-IFXJQAMLSA-N 0 3 366.421 3.434 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000154527563 495643551 /nfs/dbraw/zinc/64/35/51/495643551.db2.gz CZXOKDDXKIRQOI-IBGZPJMESA-N 0 3 366.421 3.384 20 5 FGBDHN CCCO[C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173718313 495661974 /nfs/dbraw/zinc/66/19/74/495661974.db2.gz HCYGKYTZPPVLQK-OAHLLOKOSA-N 0 3 352.431 3.263 20 5 FGBDHN C[C@@H](CN1CCCC1=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171050809 495702869 /nfs/dbraw/zinc/70/28/69/495702869.db2.gz BJIOIKPWAVHHHW-ZDUSSCGKSA-N 0 3 359.451 3.424 20 5 FGBDHN C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000151055373 495725454 /nfs/dbraw/zinc/72/54/54/495725454.db2.gz WEWUTCWNCLIPND-GXTWGEPZSA-N 0 3 358.467 3.433 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000173868402 495725698 /nfs/dbraw/zinc/72/56/98/495725698.db2.gz CPTYGMRDMKQBJV-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCC(C)CC1 ZINC000151200926 495769987 /nfs/dbraw/zinc/76/99/87/495769987.db2.gz DJNFXGVAUSZHKS-INIZCTEOSA-N 0 3 374.485 3.389 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000185970639 495804231 /nfs/dbraw/zinc/80/42/31/495804231.db2.gz HVTTUYMYEYRTTJ-OAHLLOKOSA-N 0 3 359.451 3.349 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@]2(CCSC2)C1 ZINC000151341857 495809947 /nfs/dbraw/zinc/80/99/47/495809947.db2.gz KTRMQZCFPUQFFF-WMLDXEAASA-N 0 3 352.456 3.138 20 5 FGBDHN CC[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000155075091 495826740 /nfs/dbraw/zinc/82/67/40/495826740.db2.gz ZWVYCNILPXOGGX-SFHVURJKSA-N 0 3 357.410 3.161 20 5 FGBDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000186145183 495873011 /nfs/dbraw/zinc/87/30/11/495873011.db2.gz BLGKKKROGLDNPQ-DBVUQKKJSA-N 0 3 372.421 3.318 20 5 FGBDHN COc1cc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000151693814 495922008 /nfs/dbraw/zinc/92/20/08/495922008.db2.gz YGKPFSNCUBNZES-KGLIPLIRSA-N 0 3 360.410 3.386 20 5 FGBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186295418 495932501 /nfs/dbraw/zinc/93/25/01/495932501.db2.gz IKVJHUUCUGEFBH-LJQANCHMSA-N 0 3 353.422 3.331 20 5 FGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)c1ccccc1 ZINC000183343597 495940760 /nfs/dbraw/zinc/94/07/60/495940760.db2.gz IQQKLWBMLDRNDU-LSDHHAIUSA-N 0 3 353.422 3.266 20 5 FGBDHN CC(C)N(CCN(C)C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151775757 495942558 /nfs/dbraw/zinc/94/25/58/495942558.db2.gz KBDGCOKLXPKLPP-UHFFFAOYSA-N 0 3 362.455 3.131 20 5 FGBDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000155549895 495991417 /nfs/dbraw/zinc/99/14/17/495991417.db2.gz JJIYLJMHBQHLDP-HNNXBMFYSA-N 0 3 357.410 3.203 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183554753 496029095 /nfs/dbraw/zinc/02/90/95/496029095.db2.gz QUAQICKOIKPJEU-OAHLLOKOSA-N 0 3 369.425 3.118 20 5 FGBDHN CC(C)(C)c1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174738113 496083674 /nfs/dbraw/zinc/08/36/74/496083674.db2.gz RKTDRGQOWFXPHV-RBUKOAKNSA-N 0 3 372.469 3.287 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000171968151 496112330 /nfs/dbraw/zinc/11/23/30/496112330.db2.gz XJHGPUYRBFKRIW-CQSZACIVSA-N 0 3 371.462 3.428 20 5 FGBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180826784 496161359 /nfs/dbraw/zinc/16/13/59/496161359.db2.gz JSBAFXWAWPXLGT-OAHLLOKOSA-N 0 3 357.410 3.155 20 5 FGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000152561689 496188812 /nfs/dbraw/zinc/18/88/12/496188812.db2.gz PUFCNFQCAZMPLX-MRXNPFEDSA-N 0 3 367.405 3.015 20 5 FGBDHN Cc1cc2ncn(C[C@H](O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935661 496206955 /nfs/dbraw/zinc/20/69/55/496206955.db2.gz DECQTDWUFXEOOA-CRAIPNDOSA-N 0 3 368.437 3.273 20 5 FGBDHN CCOc1cccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000184141727 496255463 /nfs/dbraw/zinc/25/54/63/496255463.db2.gz GILZROMUUHRSBQ-IAGOWNOFSA-N 0 3 371.437 3.041 20 5 FGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181273823 496335182 /nfs/dbraw/zinc/33/51/82/496335182.db2.gz WUUFGVRBDVPCTB-AWEZNQCLSA-N 0 3 371.393 3.281 20 5 FGBDHN CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187253781 496361808 /nfs/dbraw/zinc/36/18/08/496361808.db2.gz HQUIZRNKBKVMSG-IFXJQAMLSA-N 0 3 371.437 3.415 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccc1F)C1CCCC1 ZINC000181488187 496417106 /nfs/dbraw/zinc/41/71/06/496417106.db2.gz UAEKCWKTBDVFEO-IBGZPJMESA-N 0 3 359.401 3.417 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@H](O)C2)cc1 ZINC000157688133 496530270 /nfs/dbraw/zinc/53/02/70/496530270.db2.gz IAOLSFSPDZKUEF-IBGZPJMESA-N 0 3 364.405 3.014 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163546090 496530911 /nfs/dbraw/zinc/53/09/11/496530911.db2.gz KEIPMSOWBBLOKM-HNNXBMFYSA-N 0 3 360.458 3.143 20 5 FGBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000184783812 496531076 /nfs/dbraw/zinc/53/10/76/496531076.db2.gz QVJQDBNNXIPCOQ-UHFFFAOYSA-N 0 3 351.472 3.169 20 5 FGBDHN COc1ccccc1COC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181836135 496566474 /nfs/dbraw/zinc/56/64/74/496566474.db2.gz ALRPVOAIMYDJKZ-CRAIPNDOSA-N 0 3 374.437 3.140 20 5 FGBDHN C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184998770 496617078 /nfs/dbraw/zinc/61/70/78/496617078.db2.gz IHJHDEWYAJOJNB-CQSZACIVSA-N 0 3 363.433 3.314 20 5 FGBDHN C[C@@H](NCCCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173406636 496679198 /nfs/dbraw/zinc/67/91/98/496679198.db2.gz KERCFEKEDCQBTC-CQSZACIVSA-N 0 3 367.405 3.322 20 5 FGBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000191363934 496739127 /nfs/dbraw/zinc/73/91/27/496739127.db2.gz BZIFRUAPYNQMBP-MAUKXSAKSA-N 0 3 353.422 3.195 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000264179032 496829474 /nfs/dbraw/zinc/82/94/74/496829474.db2.gz LKXFZFUEKFWLJH-UHFFFAOYSA-N 0 3 360.439 3.415 20 5 FGBDHN Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000264221585 496842871 /nfs/dbraw/zinc/84/28/71/496842871.db2.gz HBCMIUWFLWQSHI-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000269364812 496930134 /nfs/dbraw/zinc/93/01/34/496930134.db2.gz KHDSIKHERWEATD-HNNXBMFYSA-N 0 3 371.441 3.008 20 5 FGBDHN CCCc1[nH]nc(C(=O)Nc2cccc(CN(CC)CC)c2)c1[N+](=O)[O-] ZINC000264617683 496944231 /nfs/dbraw/zinc/94/42/31/496944231.db2.gz RSXHNHKYUNLZAM-UHFFFAOYSA-N 0 3 359.430 3.365 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264619606 496945612 /nfs/dbraw/zinc/94/56/12/496945612.db2.gz RGRARMRUVNLESO-RHSMWYFYSA-N 0 3 371.441 3.266 20 5 FGBDHN Cc1c(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248073214 496951731 /nfs/dbraw/zinc/95/17/31/496951731.db2.gz QUGZIBKUDKTYNR-WMZOPIPTSA-N 0 3 354.410 3.470 20 5 FGBDHN Cc1nccn1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264944861 497016235 /nfs/dbraw/zinc/01/62/35/497016235.db2.gz HZNWOXJUSAMLPD-UHFFFAOYSA-N 0 3 357.439 3.403 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000265724934 497169273 /nfs/dbraw/zinc/16/92/73/497169273.db2.gz NXYVWWYSCGEEIE-ZBFHGGJFSA-N 0 3 356.426 3.048 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000237191206 497202946 /nfs/dbraw/zinc/20/29/46/497202946.db2.gz COETUHARTUIPRN-KRWDZBQOSA-N 0 3 357.410 3.157 20 5 FGBDHN COc1cc(CNCCCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000278813582 497228921 /nfs/dbraw/zinc/22/89/21/497228921.db2.gz SPQAEEQXGHVQNY-UHFFFAOYSA-N 0 3 360.410 3.045 20 5 FGBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000189746451 497231133 /nfs/dbraw/zinc/23/11/33/497231133.db2.gz RTGWKLGEJGWWRH-UHFFFAOYSA-N 0 3 370.453 3.317 20 5 FGBDHN O=[N+]([O-])c1c(NC[C@H]2CCN(Cc3ccccc3)C2)nc2sccn21 ZINC000192955402 497258829 /nfs/dbraw/zinc/25/88/29/497258829.db2.gz WELNKADCAGHKOF-CQSZACIVSA-N 0 3 357.439 3.238 20 5 FGBDHN Cn1cc(CNCc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237779065 497291662 /nfs/dbraw/zinc/29/16/62/497291662.db2.gz MVYLCYVWOOQBBV-UHFFFAOYSA-N 0 3 366.377 3.014 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000271429343 497346887 /nfs/dbraw/zinc/34/68/87/497346887.db2.gz AWKRGHWMVYRACF-FNHZYXHNSA-N 0 3 374.437 3.129 20 5 FGBDHN O=C1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1c1c(F)cccc1F ZINC000255313552 497363966 /nfs/dbraw/zinc/36/39/66/497363966.db2.gz GPCKIDHJCSDOSR-SDQPKGBYSA-N 0 3 373.359 3.281 20 5 FGBDHN COCC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccco1 ZINC000275590290 497374402 /nfs/dbraw/zinc/37/44/02/497374402.db2.gz JGAKRMWCUNAQID-CQSZACIVSA-N 0 3 365.361 3.023 20 5 FGBDHN O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193474135 497389271 /nfs/dbraw/zinc/38/92/71/497389271.db2.gz MYVQWSUFRXSSAI-UHFFFAOYSA-N 0 3 370.409 3.324 20 5 FGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000193641385 497434684 /nfs/dbraw/zinc/43/46/84/497434684.db2.gz JBADRKKZQXMCON-MRXNPFEDSA-N 0 3 374.466 3.178 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000245590528 497467638 /nfs/dbraw/zinc/46/76/38/497467638.db2.gz KZMPNUACRFQSIT-FFZOFVMBSA-N 0 3 369.465 3.189 20 5 FGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246092502 497619406 /nfs/dbraw/zinc/61/94/06/497619406.db2.gz JBRMZYYVCVGLEB-KGLIPLIRSA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000272579525 497668346 /nfs/dbraw/zinc/66/83/46/497668346.db2.gz XTTNGUWYRWKDOJ-GPMSIDNRSA-N 0 3 371.485 3.128 20 5 FGBDHN Cc1noc(C[C@H](NCCOc2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000277208198 497776344 /nfs/dbraw/zinc/77/63/44/497776344.db2.gz NBBWMALGEWZCSY-INIZCTEOSA-N 0 3 368.393 3.239 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000281121937 498027757 /nfs/dbraw/zinc/02/77/57/498027757.db2.gz VKTJQCROFKVFLZ-GDBMZVCRSA-N 0 3 357.435 3.413 20 5 FGBDHN CNC(=O)c1ccc(NC[C@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301306547 498048806 /nfs/dbraw/zinc/04/88/06/498048806.db2.gz VCJZOSLZTQTDIU-QGZVFWFLSA-N 0 3 368.437 3.031 20 5 FGBDHN CNc1ccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000581368376 505972299 /nfs/dbraw/zinc/97/22/99/505972299.db2.gz DEPWQFFJGRMWLX-INIZCTEOSA-N 0 3 356.426 3.190 20 5 FGBDHN Cc1cc(N(C)C[C@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301352296 498069984 /nfs/dbraw/zinc/06/99/84/498069984.db2.gz LSRYYLMNYQRZRG-HNNXBMFYSA-N 0 3 355.442 3.138 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289440979 498146815 /nfs/dbraw/zinc/14/68/15/498146815.db2.gz DTSBFRCFFIBMRP-HKUYNNGSSA-N 0 3 373.453 3.265 20 5 FGBDHN Cc1nnc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH]1 ZINC000292869027 498176608 /nfs/dbraw/zinc/17/66/08/498176608.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 0 3 369.347 3.420 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296829907 498213743 /nfs/dbraw/zinc/21/37/43/498213743.db2.gz SQXIEALVULIOPA-CHWSQXEVSA-N 0 3 350.394 3.133 20 5 FGBDHN COc1ccc(CNCc2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000360063665 498242601 /nfs/dbraw/zinc/24/26/01/498242601.db2.gz ZXTVERZPLYUZHQ-UHFFFAOYSA-N 0 3 352.394 3.294 20 5 FGBDHN CN1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000578732499 506007850 /nfs/dbraw/zinc/00/78/50/506007850.db2.gz GQBUEPRIZWQEEI-CRAIPNDOSA-N 0 3 368.437 3.189 20 5 FGBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000289743650 498273706 /nfs/dbraw/zinc/27/37/06/498273706.db2.gz JUHFGYBFGKLSKM-CYBMUJFWSA-N 0 3 369.849 3.466 20 5 FGBDHN COc1cc(CN[C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1OC ZINC000365131572 498314434 /nfs/dbraw/zinc/31/44/34/498314434.db2.gz JCUSXWGIIJCUTK-OAHLLOKOSA-N 0 3 374.441 3.037 20 5 FGBDHN CC[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289870039 498330507 /nfs/dbraw/zinc/33/05/07/498330507.db2.gz VSPYSBGENFDSLO-SQNIBIBYSA-N 0 3 368.389 3.467 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000286371459 498378436 /nfs/dbraw/zinc/37/84/36/498378436.db2.gz IFSLPCDVIDZIND-UHFFFAOYSA-N 0 3 373.457 3.205 20 5 FGBDHN CN1CCC(Oc2ccc(CNc3ccc(N)cc3[N+](=O)[O-])cc2)CC1 ZINC000286420860 498391396 /nfs/dbraw/zinc/39/13/96/498391396.db2.gz LAVQPKWQAVSRNQ-UHFFFAOYSA-N 0 3 356.426 3.262 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293564997 498412817 /nfs/dbraw/zinc/41/28/17/498412817.db2.gz SHDQEODXJFGLMZ-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN O=C(c1ccc(CN2CCCC2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000581654988 506038445 /nfs/dbraw/zinc/03/84/45/506038445.db2.gz GUALBESYUBYPQO-UHFFFAOYSA-N 0 3 365.433 3.389 20 5 FGBDHN C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293739683 498472625 /nfs/dbraw/zinc/47/26/25/498472625.db2.gz REBDFBIVBYMUCF-GFCCVEGCSA-N 0 3 351.834 3.195 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598366 498506099 /nfs/dbraw/zinc/50/60/99/498506099.db2.gz HAAGWGHYWBZUIQ-IINYFYTJSA-N 0 3 359.348 3.026 20 5 FGBDHN CN1CC[C@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000293841302 498507107 /nfs/dbraw/zinc/50/71/07/498507107.db2.gz IZGSXUHHUDCLHC-QFIPXVFZSA-N 0 3 361.445 3.261 20 5 FGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000331973005 498518549 /nfs/dbraw/zinc/51/85/49/498518549.db2.gz SLKHTUVSWIDDRV-GFCCVEGCSA-N 0 3 371.359 3.360 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000302779692 498570179 /nfs/dbraw/zinc/57/01/79/498570179.db2.gz HZHRIXRMRPFTKD-QGZVFWFLSA-N 0 3 359.401 3.437 20 5 FGBDHN Cc1nn(-c2ccccn2)c(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000282745992 498636470 /nfs/dbraw/zinc/63/64/70/498636470.db2.gz UQIPLRNNXCULNE-UHFFFAOYSA-N 0 3 351.410 3.125 20 5 FGBDHN O=C(CCN1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352254 498860095 /nfs/dbraw/zinc/86/00/95/498860095.db2.gz RBDDTBUOEFLGSI-RHSMWYFYSA-N 0 3 373.409 3.105 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092929 498906863 /nfs/dbraw/zinc/90/68/63/498906863.db2.gz GFCHYPOXSKMDBE-CRAIPNDOSA-N 0 3 370.453 3.286 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135254 498921355 /nfs/dbraw/zinc/92/13/55/498921355.db2.gz LMMQDUVZOMEQBC-BEFAXECRSA-N 0 3 370.453 3.286 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295328991 498980297 /nfs/dbraw/zinc/98/02/97/498980297.db2.gz TXNHVCMLOAJEIQ-NSHDSACASA-N 0 3 359.348 3.027 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000283931738 499015196 /nfs/dbraw/zinc/01/51/96/499015196.db2.gz KPBBCBJQRWINGE-OLZOCXBDSA-N 0 3 350.394 3.133 20 5 FGBDHN COc1cc(C(=O)Nc2ccccc2CCN(C)C)c([N+](=O)[O-])cc1F ZINC000295662237 499074700 /nfs/dbraw/zinc/07/47/00/499074700.db2.gz QRYNXEAPSMVBRU-UHFFFAOYSA-N 0 3 361.373 3.099 20 5 FGBDHN C[C@H](N[C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370162090 499190730 /nfs/dbraw/zinc/19/07/30/499190730.db2.gz NIITWMBVCOHKMD-HOCLYGCPSA-N 0 3 368.437 3.013 20 5 FGBDHN CN1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370327964 499209922 /nfs/dbraw/zinc/20/99/22/499209922.db2.gz XPPVSQIWYFSSSB-KXBFYZLASA-N 0 3 373.478 3.398 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccc(Cl)c1 ZINC000370524084 499228567 /nfs/dbraw/zinc/22/85/67/499228567.db2.gz RPFYDGXIKRBTDK-SUMWQHHRSA-N 0 3 374.828 3.066 20 5 FGBDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000370917301 499270341 /nfs/dbraw/zinc/27/03/41/499270341.db2.gz MITFDRYHNSZOHR-ROUUACIJSA-N 0 3 357.385 3.081 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](c4nnc[nH]4)C3)o2)cc1 ZINC000371335917 499312422 /nfs/dbraw/zinc/31/24/22/499312422.db2.gz MNBVVWNJSFUQCM-AWEZNQCLSA-N 0 3 353.382 3.353 20 5 FGBDHN Cc1c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568521 499419229 /nfs/dbraw/zinc/41/92/29/499419229.db2.gz LFKCXXXOZCKJCE-GUYCJALGSA-N 0 3 359.451 3.388 20 5 FGBDHN Cc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568157 499419264 /nfs/dbraw/zinc/41/92/64/499419264.db2.gz KCAPDVNQSZATNX-YOEHRIQHSA-N 0 3 359.451 3.388 20 5 FGBDHN COC[C@]1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])OCCc2ccccc21 ZINC000573219784 506147726 /nfs/dbraw/zinc/14/77/26/506147726.db2.gz NNEQCLPSECGBDA-FPOVZHCZSA-N 0 3 368.433 3.286 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(NCC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397617468 499564631 /nfs/dbraw/zinc/56/46/31/499564631.db2.gz HJPCWFGAKQUMLU-UHFFFAOYSA-N 0 3 371.437 3.042 20 5 FGBDHN CSc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000411462856 499743912 /nfs/dbraw/zinc/74/39/12/499743912.db2.gz VKCMZLILLXMBMG-XJKSGUPXSA-N 0 3 362.451 3.407 20 5 FGBDHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000411472007 499745061 /nfs/dbraw/zinc/74/50/61/499745061.db2.gz GTLJCTXCIXSMTF-INIZCTEOSA-N 0 3 361.373 3.040 20 5 FGBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532682 499751969 /nfs/dbraw/zinc/75/19/69/499751969.db2.gz ZMIRQKYDGNUNHF-RDTXWAMCSA-N 0 3 354.410 3.402 20 5 FGBDHN COc1cc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000377996975 499754250 /nfs/dbraw/zinc/75/42/50/499754250.db2.gz VOMPCHMQISSXJO-UGSOOPFHSA-N 0 3 360.389 3.242 20 5 FGBDHN O=C(CCN1CCC[C@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000411979772 499809060 /nfs/dbraw/zinc/80/90/60/499809060.db2.gz FZUJZKUHPDALEI-KRWDZBQOSA-N 0 3 369.421 3.467 20 5 FGBDHN NC(=O)c1ccc(CN2C[C@H](c3ccccc3)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000411994120 499811297 /nfs/dbraw/zinc/81/12/97/499811297.db2.gz YUQWPXNYSTVETE-GOSISDBHSA-N 0 3 365.433 3.463 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N(C)C ZINC000412381881 499850408 /nfs/dbraw/zinc/85/04/08/499850408.db2.gz AAZYNHWCPDOTOE-ZDUSSCGKSA-N 0 3 359.451 3.426 20 5 FGBDHN CCOC(=O)c1csc(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000570409727 506161932 /nfs/dbraw/zinc/16/19/32/506161932.db2.gz CQJDHFKKUHVIMK-ZDUSSCGKSA-N 0 3 361.423 3.048 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CNCCC2(F)F)s1 ZINC000415004450 499854138 /nfs/dbraw/zinc/85/41/38/499854138.db2.gz QLQZNVJVPWKROX-HNNXBMFYSA-N 0 3 353.394 3.410 20 5 FGBDHN Cc1ccc(Sc2ccc(CNC[C@@H]3CNCCO3)cc2[N+](=O)[O-])cc1 ZINC000415099772 499863419 /nfs/dbraw/zinc/86/34/19/499863419.db2.gz ZEPDRWAUCDKDDQ-INIZCTEOSA-N 0 3 373.478 3.132 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000413283322 499936814 /nfs/dbraw/zinc/93/68/14/499936814.db2.gz RTLJIRIMXJBEFX-RBUKOAKNSA-N 0 3 369.421 3.277 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000421520456 500070590 /nfs/dbraw/zinc/07/05/90/500070590.db2.gz XGLQMVOPSYWHAA-UHFFFAOYSA-N 0 3 368.437 3.253 20 5 FGBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425432602 500105295 /nfs/dbraw/zinc/10/52/95/500105295.db2.gz LCUGMFNGXDCBRE-NXEZZACHSA-N 0 3 359.220 3.035 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421710111 500125500 /nfs/dbraw/zinc/12/55/00/500125500.db2.gz IWDKCRNADZSTBD-CQSZACIVSA-N 0 3 351.472 3.263 20 5 FGBDHN N[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000418444023 500277427 /nfs/dbraw/zinc/27/74/27/500277427.db2.gz GICMELSCOPSXND-HKUYNNGSSA-N 0 3 368.437 3.184 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431957687 500448090 /nfs/dbraw/zinc/44/80/90/500448090.db2.gz XQJQHWNTZACFCZ-GJZGRUSLSA-N 0 3 362.474 3.392 20 5 FGBDHN COc1cc(CNCCC(C)(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000424192725 500466058 /nfs/dbraw/zinc/46/60/58/500466058.db2.gz UMCQHCDIAXZZNR-UHFFFAOYSA-N 0 3 368.430 3.157 20 5 FGBDHN CCC[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CCN1CCOC ZINC000432326146 500499336 /nfs/dbraw/zinc/49/93/36/500499336.db2.gz ACBXZZIWTYIOHL-OAHLLOKOSA-N 0 3 358.442 3.080 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810348 500560203 /nfs/dbraw/zinc/56/02/03/500560203.db2.gz XSEZMRSVJIEZBH-YWZLYKJASA-N 0 3 354.406 3.473 20 5 FGBDHN COc1cnccc1[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437098420 500602334 /nfs/dbraw/zinc/60/23/34/500602334.db2.gz RQUBIRSBHHAIOE-OLZOCXBDSA-N 0 3 358.398 3.066 20 5 FGBDHN NC(=O)c1cccc(NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000439128944 500860749 /nfs/dbraw/zinc/86/07/49/500860749.db2.gz IKMHPMOTALWINR-CQSZACIVSA-N 0 3 360.439 3.004 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCN(C)CC2)c1 ZINC000449042246 500909389 /nfs/dbraw/zinc/90/93/89/500909389.db2.gz QPFOIOPJTVGICJ-KRWDZBQOSA-N 0 3 368.481 3.385 20 5 FGBDHN CC(C)(CCCO)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602583879 506223789 /nfs/dbraw/zinc/22/37/89/506223789.db2.gz VAZRPCUWNGAIKX-UHFFFAOYSA-N 0 3 351.266 3.307 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000439884066 500950313 /nfs/dbraw/zinc/95/03/13/500950313.db2.gz VUGNOFASLWGOIP-KGLIPLIRSA-N 0 3 364.446 3.235 20 5 FGBDHN CC(C)C1CCC(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000440196056 500986480 /nfs/dbraw/zinc/98/64/80/500986480.db2.gz JQXAKKUDVQOEJQ-UHFFFAOYSA-N 0 3 374.485 3.031 20 5 FGBDHN COc1cc(CNC[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000449480734 501013627 /nfs/dbraw/zinc/01/36/27/501013627.db2.gz ZKUJZVQTIHQDMW-CYBMUJFWSA-N 0 3 350.415 3.051 20 5 FGBDHN COC(=O)c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1C ZINC000449499149 501018578 /nfs/dbraw/zinc/01/85/78/501018578.db2.gz LNFGKVKLGGVXEM-MRXNPFEDSA-N 0 3 357.410 3.100 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1cccnc1)C1CC1 ZINC000445817451 501036705 /nfs/dbraw/zinc/03/67/05/501036705.db2.gz FZDDFUGITGTMBQ-LJQANCHMSA-N 0 3 370.409 3.068 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H](C)Cc3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000449581722 501037637 /nfs/dbraw/zinc/03/76/37/501037637.db2.gz BSAVOKPMHGEZFQ-ZDUSSCGKSA-N 0 3 370.409 3.318 20 5 FGBDHN CC[C@@H](C)N1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000449623913 501045148 /nfs/dbraw/zinc/04/51/48/501045148.db2.gz LCIQWUWRENXAAG-GFCCVEGCSA-N 0 3 373.400 3.121 20 5 FGBDHN CO[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630398 501046725 /nfs/dbraw/zinc/04/67/25/501046725.db2.gz HUENVUNUSJYUSU-MSOLQXFVSA-N 0 3 370.453 3.385 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000440824631 501053761 /nfs/dbraw/zinc/05/37/61/501053761.db2.gz ULVCTGWUMBXQAC-FQEVSTJZSA-N 0 3 356.422 3.177 20 5 FGBDHN COc1ccc(OCCN(C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441421298 501136678 /nfs/dbraw/zinc/13/66/78/501136678.db2.gz IETYEOXTNPFSME-KRWDZBQOSA-N 0 3 360.410 3.038 20 5 FGBDHN Cc1cc(NC[C@@H]2CCCN2CCCO)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450593053 501162418 /nfs/dbraw/zinc/16/24/18/501162418.db2.gz IFUKZQOAUGGCJV-LBPRGKRZSA-N 0 3 361.364 3.181 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCC2 ZINC000450970602 501235964 /nfs/dbraw/zinc/23/59/64/501235964.db2.gz NUVGCWJUUARUAF-IRXDYDNUSA-N 0 3 361.442 3.169 20 5 FGBDHN C[C@@]12CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379090 501279465 /nfs/dbraw/zinc/27/94/65/501279465.db2.gz YXDONZAYGVMGSK-AGLNLLDASA-N 0 3 352.394 3.289 20 5 FGBDHN CNC(=O)c1cccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451544874 501318468 /nfs/dbraw/zinc/31/84/68/501318468.db2.gz GBVPJHZRVZBSMP-SFHVURJKSA-N 0 3 353.422 3.334 20 5 FGBDHN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)ncc1Br ZINC000598961918 506246785 /nfs/dbraw/zinc/24/67/85/506246785.db2.gz CAKANYUZJAPCKJ-UHFFFAOYSA-N 0 3 350.216 3.393 20 5 FGBDHN Cc1cccc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000458280939 501410718 /nfs/dbraw/zinc/41/07/18/501410718.db2.gz ASAWTELNDWNGOG-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[C@H](C)C1 ZINC000452073140 501429778 /nfs/dbraw/zinc/42/97/78/501429778.db2.gz UUSXMYRDPOEPIW-RWMBFGLXSA-N 0 3 363.414 3.066 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000452714213 501550208 /nfs/dbraw/zinc/55/02/08/501550208.db2.gz KHOYYPJRXGZXNU-UHFFFAOYSA-N 0 3 368.437 3.083 20 5 FGBDHN C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000454489047 501558225 /nfs/dbraw/zinc/55/82/25/501558225.db2.gz WOTCGZOKKXILFB-AWEZNQCLSA-N 0 3 372.425 3.418 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454621160 501594532 /nfs/dbraw/zinc/59/45/32/501594532.db2.gz PDCYYSJHOXQARI-FUHWJXTLSA-N 0 3 374.485 3.358 20 5 FGBDHN C[C@@H]1CN(c2ccccc2CN(C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000459543858 501673495 /nfs/dbraw/zinc/67/34/95/501673495.db2.gz MYUFHJHOHMOVJG-QGZVFWFLSA-N 0 3 369.465 3.494 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C(C)C)C1(CO)CCCC1 ZINC000459547301 501674234 /nfs/dbraw/zinc/67/42/34/501674234.db2.gz WDKLUWXIRZYTBZ-GOSISDBHSA-N 0 3 363.458 3.009 20 5 FGBDHN CC1CCC(N2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000611710133 506267546 /nfs/dbraw/zinc/26/75/46/506267546.db2.gz YRJJOABIGMHSCH-UHFFFAOYSA-N 0 3 355.442 3.239 20 5 FGBDHN C[C@@H](N[C@@H](C)CCCc1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459649554 501692658 /nfs/dbraw/zinc/69/26/58/501692658.db2.gz VYVNETJKFMQYLB-LSDHHAIUSA-N 0 3 356.426 3.318 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@H]4COC[C@@H]43)o2)c1 ZINC000459684241 501698707 /nfs/dbraw/zinc/69/87/07/501698707.db2.gz UMKNBFNYXGKJHA-IRXDYDNUSA-N 0 3 369.421 3.293 20 5 FGBDHN Cc1c(CNC(=O)C2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000481469975 501784323 /nfs/dbraw/zinc/78/43/23/501784323.db2.gz XCMCPBHQVHTJHA-UHFFFAOYSA-N 0 3 367.449 3.432 20 5 FGBDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938823 501861915 /nfs/dbraw/zinc/86/19/15/501861915.db2.gz ZTBBULCRNTXLMG-JQWIXIFHSA-N 0 3 373.331 3.166 20 5 FGBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1cccs1 ZINC000596145964 506278513 /nfs/dbraw/zinc/27/85/13/506278513.db2.gz JGBXCWFOQGNNHU-SJCJKPOMSA-N 0 3 374.466 3.250 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000467840570 501888611 /nfs/dbraw/zinc/88/86/11/501888611.db2.gz VKIGEGDPBCDRBU-CYBMUJFWSA-N 0 3 359.451 3.282 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000485730189 501917597 /nfs/dbraw/zinc/91/75/97/501917597.db2.gz DOQARAIIYZBWOZ-QWHCGFSZSA-N 0 3 351.472 3.309 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000478306760 501937623 /nfs/dbraw/zinc/93/76/23/501937623.db2.gz OAXADBFSRVWQAC-LJQANCHMSA-N 0 3 353.422 3.235 20 5 FGBDHN Cc1c(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478631318 502038512 /nfs/dbraw/zinc/03/85/12/502038512.db2.gz KTGRSBNDRWDDOK-OAHLLOKOSA-N 0 3 370.453 3.223 20 5 FGBDHN COC(=O)COc1cccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468635897 502132784 /nfs/dbraw/zinc/13/27/84/502132784.db2.gz UXDOBRBMCDCIDP-DHDCSXOGSA-N 0 3 370.405 3.340 20 5 FGBDHN CN(C)Cc1ccccc1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000486430115 502151724 /nfs/dbraw/zinc/15/17/24/502151724.db2.gz NYEJZFCVHVKPAR-UHFFFAOYSA-N 0 3 355.438 3.409 20 5 FGBDHN CCC1(C)CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475725643 502265611 /nfs/dbraw/zinc/26/56/11/502265611.db2.gz NLOHSMIZZZANLH-UHFFFAOYSA-N 0 3 350.415 3.159 20 5 FGBDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000472359707 502329255 /nfs/dbraw/zinc/32/92/55/502329255.db2.gz MNNWMSHPYZHEPH-IRXDYDNUSA-N 0 3 363.458 3.085 20 5 FGBDHN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)cc1 ZINC000472447502 502354894 /nfs/dbraw/zinc/35/48/94/502354894.db2.gz DNYBLFKERGIQNJ-UHFFFAOYSA-N 0 3 367.247 3.464 20 5 FGBDHN COc1c(C(=O)Nc2ccc(C)cc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000476092202 502382029 /nfs/dbraw/zinc/38/20/29/502382029.db2.gz RWGCFQZNFTVWGK-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2C)o1 ZINC000480064319 502462012 /nfs/dbraw/zinc/46/20/12/502462012.db2.gz XVBIVLKVBKGSCA-UHFFFAOYSA-N 0 3 374.441 3.078 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656255 502524356 /nfs/dbraw/zinc/52/43/56/502524356.db2.gz LDOSRWDBCODEQP-SCLBCKFNSA-N 0 3 372.400 3.376 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656253 502524398 /nfs/dbraw/zinc/52/43/98/502524398.db2.gz LDOSRWDBCODEQP-ACJLOTCBSA-N 0 3 372.400 3.376 20 5 FGBDHN C[C@H](CN(C)CCn1ccc([N+](=O)[O-])n1)Oc1ccc(Cl)c(Cl)c1 ZINC000469745402 502530344 /nfs/dbraw/zinc/53/03/44/502530344.db2.gz MFWUXVWPUKFHLW-LLVKDONJSA-N 0 3 373.240 3.497 20 5 FGBDHN NC(=O)c1cc(NCCN2CCC3(CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596222944 506319641 /nfs/dbraw/zinc/31/96/41/506319641.db2.gz NNGICHOEEYOUAB-UHFFFAOYSA-N 0 3 360.458 3.152 20 5 FGBDHN C[C@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480340932 502542590 /nfs/dbraw/zinc/54/25/90/502542590.db2.gz YXCZMXBEVPYJFZ-INIZCTEOSA-N 0 3 372.444 3.207 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000462757966 502559599 /nfs/dbraw/zinc/55/95/99/502559599.db2.gz CFYOJEGGSBYOPJ-SOLBZPMBSA-N 0 3 361.486 3.400 20 5 FGBDHN C[C@@H]1[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000466472692 502580089 /nfs/dbraw/zinc/58/00/89/502580089.db2.gz HGDJETIMNJDMCX-YTRHGNHMSA-N 0 3 365.433 3.387 20 5 FGBDHN CCOC[C@H](O)CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484135887 502580083 /nfs/dbraw/zinc/58/00/83/502580083.db2.gz DESCRHCFGXKFIO-QWHCGFSZSA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151221 502680311 /nfs/dbraw/zinc/68/03/11/502680311.db2.gz KYMYSDNQUQCAMF-ZDUSSCGKSA-N 0 3 360.389 3.376 20 5 FGBDHN Cc1ccc([C@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632314 502689945 /nfs/dbraw/zinc/68/99/45/502689945.db2.gz YHEAKSFSMBMYBR-AZUAARDMSA-N 0 3 356.422 3.480 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(=O)N2CCCC2)C1 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/nfs/dbraw/zinc/63/26/43/506632643.db2.gz RTVALHFDESKLRA-INIZCTEOSA-N 0 3 371.437 3.193 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599792198 506638475 /nfs/dbraw/zinc/63/84/75/506638475.db2.gz YYZBWTJNXILMFA-OAHLLOKOSA-N 0 3 362.430 3.132 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834414 506666397 /nfs/dbraw/zinc/66/63/97/506666397.db2.gz IXERQVPGCNQCBU-CQSZACIVSA-N 0 3 371.441 3.385 20 5 FGBDHN O=[N+]([O-])c1ccc(CCCCNCc2cnnn2-c2ccccc2)cc1 ZINC000593601950 506698080 /nfs/dbraw/zinc/69/80/80/506698080.db2.gz MKJASVBZLCUCDO-UHFFFAOYSA-N 0 3 351.410 3.288 20 5 FGBDHN CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593679913 506726848 /nfs/dbraw/zinc/72/68/48/506726848.db2.gz QUQCVJJRQOWMEI-QRGKHIHXSA-N 0 3 351.450 3.467 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590175820 506758760 /nfs/dbraw/zinc/75/87/60/506758760.db2.gz UYMMVOQCXRDTFY-NEPJUHHUSA-N 0 3 373.375 3.464 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604475175 506842593 /nfs/dbraw/zinc/84/25/93/506842593.db2.gz NQJXZTPRDCHJDS-LJQANCHMSA-N 0 3 370.453 3.477 20 5 FGBDHN CC[C@H]1CN(C)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590539192 506853554 /nfs/dbraw/zinc/85/35/54/506853554.db2.gz WAQBHGMKYVPAIJ-AWEZNQCLSA-N 0 3 374.466 3.275 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229036 506861069 /nfs/dbraw/zinc/86/10/69/506861069.db2.gz NVELVNAETNBILR-INIZCTEOSA-N 0 3 363.483 3.210 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000609346873 506861147 /nfs/dbraw/zinc/86/11/47/506861147.db2.gz SYNGSJGSPTUFHK-KBPBESRZSA-N 0 3 351.472 3.066 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000604528322 506862332 /nfs/dbraw/zinc/86/23/32/506862332.db2.gz BOFSYUGBUXHRJB-ZBFHGGJFSA-N 0 3 363.483 3.162 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609530437 506909702 /nfs/dbraw/zinc/90/97/02/506909702.db2.gz RLMVDWYQRQGZQP-HNNXBMFYSA-N 0 3 374.466 3.323 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470888 506962515 /nfs/dbraw/zinc/96/25/15/506962515.db2.gz JMYWRXUWKOUAEK-CZUORRHYSA-N 0 3 363.483 3.209 20 5 FGBDHN Cc1ccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708100 506980149 /nfs/dbraw/zinc/98/01/49/506980149.db2.gz FNNMBDWLCFIRNI-OAQYLSRUSA-N 0 3 369.465 3.020 20 5 FGBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000594472056 507146807 /nfs/dbraw/zinc/14/68/07/507146807.db2.gz VRVDQBMGFXQEND-UHFFFAOYSA-N 0 3 372.473 3.184 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ccccc2NC1=O ZINC000594510310 507161815 /nfs/dbraw/zinc/16/18/15/507161815.db2.gz IFVOAUSNOWWGQD-KSSFIOAISA-N 0 3 353.422 3.459 20 5 FGBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600890093 507162055 /nfs/dbraw/zinc/16/20/55/507162055.db2.gz UASZTCCPRRGFIB-UHFFFAOYSA-N 0 3 357.385 3.128 20 5 FGBDHN C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594520043 507168260 /nfs/dbraw/zinc/16/82/60/507168260.db2.gz WZXDTIKUKCFQBH-CYBMUJFWSA-N 0 3 374.441 3.063 20 5 FGBDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521899 507169555 /nfs/dbraw/zinc/16/95/55/507169555.db2.gz VLQTZVUVWGNJDA-HRCADAONSA-N 0 3 372.425 3.397 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCC1CCN(c2ccncc2)CC1 ZINC000584134536 507170177 /nfs/dbraw/zinc/17/01/77/507170177.db2.gz QMNIDSYXEMRQRJ-UHFFFAOYSA-N 0 3 372.473 3.258 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597921515 507176266 /nfs/dbraw/zinc/17/62/66/507176266.db2.gz GMGTVXPFEYKGHJ-JTQLQIEISA-N 0 3 359.348 3.216 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597924910 507178854 /nfs/dbraw/zinc/17/88/54/507178854.db2.gz UXIDZQXENOQJFY-GFCCVEGCSA-N 0 3 351.422 3.001 20 5 FGBDHN O=[N+]([O-])c1cnccc1N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000610469406 507251262 /nfs/dbraw/zinc/25/12/62/507251262.db2.gz DNLIIEBJZWLFQD-FQEVSTJZSA-N 0 3 352.438 3.482 20 5 FGBDHN Cc1ccc2oc(CNC[C@@H](O)COc3ccccc3[N+](=O)[O-])cc2c1 ZINC000594730094 507257618 /nfs/dbraw/zinc/25/76/18/507257618.db2.gz AVOHDLQMMYXYST-OAHLLOKOSA-N 0 3 356.378 3.179 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000594731106 507258678 /nfs/dbraw/zinc/25/86/78/507258678.db2.gz FOZJNVRZZUWHHY-LBPRGKRZSA-N 0 3 371.220 3.431 20 5 FGBDHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598218099 507323372 /nfs/dbraw/zinc/32/33/72/507323372.db2.gz FYYFKEXDITUMEV-GFCCVEGCSA-N 0 3 351.834 3.385 20 5 FGBDHN CSc1cccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220470 507324959 /nfs/dbraw/zinc/32/49/59/507324959.db2.gz PPFDVXOWMLVHOU-CYBMUJFWSA-N 0 3 363.483 3.454 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccccc2OC2CCC2)c1 ZINC000591740829 507343907 /nfs/dbraw/zinc/34/39/07/507343907.db2.gz QNCFTCQNKIACFL-KRWDZBQOSA-N 0 3 372.421 3.056 20 5 FGBDHN CO[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000594996292 507347367 /nfs/dbraw/zinc/34/73/67/507347367.db2.gz AARUKAZONFFARO-GOSISDBHSA-N 0 3 350.415 3.051 20 5 FGBDHN COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595011750 507353759 /nfs/dbraw/zinc/35/37/59/507353759.db2.gz MGXHIMLGBLMRMB-GXTWGEPZSA-N 0 3 358.394 3.266 20 5 FGBDHN COCc1csc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000595079310 507383067 /nfs/dbraw/zinc/38/30/67/507383067.db2.gz VXNWPXMLYBTZDP-LSDHHAIUSA-N 0 3 350.444 3.273 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595225256 507430338 /nfs/dbraw/zinc/43/03/38/507430338.db2.gz LLSNLPIIUXCYHM-SJLPKXTDSA-N 0 3 371.412 3.308 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CN(C[C@@H]1CCCO1)C1CCCC1)OCCO2 ZINC000611274144 507599095 /nfs/dbraw/zinc/59/90/95/507599095.db2.gz VXWKQOIQNAQUEO-INIZCTEOSA-N 0 3 362.426 3.290 20 5 FGBDHN C[C@@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592394973 507637495 /nfs/dbraw/zinc/63/74/95/507637495.db2.gz SNQRXOMDPRJWIW-CQSZACIVSA-N 0 3 364.442 3.384 20 5 FGBDHN O=C(C1CC1)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602429253 507710132 /nfs/dbraw/zinc/71/01/32/507710132.db2.gz WDAAOZGLWKPKFQ-UHFFFAOYSA-N 0 3 371.359 3.104 20 5 FGBDHN CCc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510262 507713558 /nfs/dbraw/zinc/71/35/58/507713558.db2.gz YLTBRMIOXICOOL-KSSFIOAISA-N 0 3 367.453 3.145 20 5 FGBDHN CCc1cc(N2CC[C@H]3CCN(C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510263 507714621 /nfs/dbraw/zinc/71/46/21/507714621.db2.gz YLTBRMIOXICOOL-RDTXWAMCSA-N 0 3 367.453 3.145 20 5 FGBDHN CN(C)Cc1cccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602483316 507721704 /nfs/dbraw/zinc/72/17/04/507721704.db2.gz IXUDIYLMPMEORQ-UHFFFAOYSA-N 0 3 355.442 3.132 20 5 FGBDHN NCc1cccc2c1N(C(=O)CSc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000602541529 507742042 /nfs/dbraw/zinc/74/20/42/507742042.db2.gz QBKZREPVNHSRJP-UHFFFAOYSA-N 0 3 357.435 3.125 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602554465 507747235 /nfs/dbraw/zinc/74/72/35/507747235.db2.gz YWCQWWJACWZVSA-LBPRGKRZSA-N 0 3 373.434 3.196 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072729559 695962328 /nfs/dbraw/zinc/96/23/28/695962328.db2.gz VRBVKTSYPXEJHN-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255753467 713705984 /nfs/dbraw/zinc/70/59/84/713705984.db2.gz AREHMLSXFXUZPH-YFHOEESVSA-N 0 3 359.451 3.260 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000310993499 713801533 /nfs/dbraw/zinc/80/15/33/713801533.db2.gz IFFLFDLICSLATI-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN(C3CCCC3)CC2)c1 ZINC001165033155 721862534 /nfs/dbraw/zinc/86/25/34/721862534.db2.gz FFOMDSBGUSPGSU-UHFFFAOYSA-N 0 3 361.833 3.256 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CN2CCCC2)c(Br)c1 ZINC000798398265 723929029 /nfs/dbraw/zinc/92/90/29/723929029.db2.gz NKZJWLMKMJNEKZ-CYBMUJFWSA-N 0 3 354.248 3.422 20 5 FGBDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000799372288 724020814 /nfs/dbraw/zinc/02/08/14/724020814.db2.gz MAKCUDJXADHNAI-XEGUGMAKSA-N 0 3 355.822 3.122 20 5 FGBDHN O=[N+]([O-])c1cc2cnn(CN3CCC[C@H]3C3CCOCC3)c2c(Cl)c1 ZINC000776772895 724181381 /nfs/dbraw/zinc/18/13/81/724181381.db2.gz UCEWNNLMEVWGOS-INIZCTEOSA-N 0 3 364.833 3.446 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@H](O)c2ccccc2)c1 ZINC000809747501 725264548 /nfs/dbraw/zinc/26/45/48/725264548.db2.gz RXSKOEHDVTUAIH-HNNXBMFYSA-N 0 3 352.337 3.410 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000811812432 725381235 /nfs/dbraw/zinc/38/12/35/725381235.db2.gz RLESRJAMJHHMJG-NXEZZACHSA-N 0 3 353.806 3.072 20 5 FGBDHN CC(C)c1ccc(-n2ccnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109340 726839650 /nfs/dbraw/zinc/83/96/50/726839650.db2.gz IJRLHXGYOAZQEJ-ZDUSSCGKSA-N 0 3 363.439 3.296 20 5 FGBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[N+](=O)[O-] ZINC000813114195 726840189 /nfs/dbraw/zinc/84/01/89/726840189.db2.gz NFJPWYJQDRDQJI-JTQLQIEISA-N 0 3 354.384 3.452 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(Br)c1 ZINC000815112290 727039530 /nfs/dbraw/zinc/03/95/30/727039530.db2.gz NPZQVCARNYMYEW-UHFFFAOYSA-N 0 3 350.216 3.427 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1F ZINC000821986389 729137577 /nfs/dbraw/zinc/13/75/77/729137577.db2.gz RNNLPFPGOCEXAO-VXGBXAGGSA-N 0 3 355.385 3.174 20 5 FGBDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831343020 729635070 /nfs/dbraw/zinc/63/50/70/729635070.db2.gz FPWVCCFKLTWPMY-RMLVOYDJSA-N 0 3 369.849 3.368 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1Cl ZINC000836785082 729969917 /nfs/dbraw/zinc/96/99/17/729969917.db2.gz LYSOKSOIRWBSQK-ZDUSSCGKSA-N 0 3 351.834 3.303 20 5 FGBDHN Cc1noc(C)c1CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873159 730904928 /nfs/dbraw/zinc/90/49/28/730904928.db2.gz RXKJAOXLRWVSNF-GTNSWQLSSA-N 0 3 350.346 3.313 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccnc(CO)c1 ZINC000858325742 732203490 /nfs/dbraw/zinc/20/34/90/732203490.db2.gz JTYNNBDDHHMVMR-UHFFFAOYSA-N 0 3 356.304 3.025 20 5 FGBDHN CCC1(N2CCOCC2)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000860027714 732436536 /nfs/dbraw/zinc/43/65/36/732436536.db2.gz FOCHFZQYUZRSOQ-UHFFFAOYSA-N 0 3 367.877 3.325 20 5 FGBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000872249395 735609517 /nfs/dbraw/zinc/60/95/17/735609517.db2.gz NWAQQNJJLCLWOD-IINYFYTJSA-N 0 3 355.316 3.393 20 5 FGBDHN O=C1OCC[C@H]1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000873161157 735728769 /nfs/dbraw/zinc/72/87/69/735728769.db2.gz KRCBOPTYKJUAKS-GFCCVEGCSA-N 0 3 361.423 3.151 20 5 FGBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccc(F)cc3Br)C2)c1 ZINC000876963808 736168496 /nfs/dbraw/zinc/16/84/96/736168496.db2.gz YPAIQNPCNXDHRU-UHFFFAOYSA-N 0 3 369.194 3.186 20 5 FGBDHN C[C@@]1(C(F)(F)F)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000880002255 737096343 /nfs/dbraw/zinc/09/63/43/737096343.db2.gz IMNHTGZQQQZWMH-CQSZACIVSA-N 0 3 363.311 3.337 20 5 FGBDHN CC[C@](C)(COc1ncccc1Cl)NCc1cccnc1[N+](=O)[O-] ZINC000886080641 739215169 /nfs/dbraw/zinc/21/51/69/739215169.db2.gz DVAKYSWFIKKRJF-MRXNPFEDSA-N 0 3 350.806 3.376 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC1CCN(c2nccs2)CC1 ZINC000894241056 742257428 /nfs/dbraw/zinc/25/74/28/742257428.db2.gz WPXVBCWPQDGZJO-UHFFFAOYSA-N 0 3 352.847 3.463 20 5 FGBDHN C[C@@H](N[C@H]1CCc2ncc(Br)n2C1)c1ccccc1[N+](=O)[O-] ZINC000901727187 743628213 /nfs/dbraw/zinc/62/82/13/743628213.db2.gz DJIOZMGANFJRNI-MNOVXSKESA-N 0 3 365.231 3.219 20 5 FGBDHN CN(C)Cc1csc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000903222788 743824874 /nfs/dbraw/zinc/82/48/74/743824874.db2.gz KMTLMXWKRBMWHK-INIZCTEOSA-N 0 3 360.483 3.224 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCOC12CCOCC2 ZINC000934404602 761623799 /nfs/dbraw/zinc/62/37/99/761623799.db2.gz YZZQGIULEQWRNK-ZDUSSCGKSA-N 0 3 361.225 3.329 20 5 FGBDHN COc1cccc(N2CC[C@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000576714651 505577512 /nfs/dbraw/zinc/57/75/12/505577512.db2.gz BWRNCFRLQXLGEZ-LIRRHRJNSA-N 0 3 353.422 3.459 20 5 FGBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573933554 505654721 /nfs/dbraw/zinc/65/47/21/505654721.db2.gz HZOAQQPSEBXSEB-GJYPPUQNSA-N 0 3 356.426 3.052 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000571206877 505679491 /nfs/dbraw/zinc/67/94/91/505679491.db2.gz GMKUHHNIVDDSQZ-KBRIMQKVSA-N 0 3 361.442 3.249 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000080902515 493788827 /nfs/dbraw/zinc/78/88/27/493788827.db2.gz GKGWCFDDQMMREN-DJJJIMSYSA-N 0 3 363.458 3.009 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000028746608 493799674 /nfs/dbraw/zinc/79/96/74/493799674.db2.gz GKFPIOPQEPGRPS-LJQANCHMSA-N 0 3 370.453 3.448 20 5 FGBDHN CC(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000029174213 493823065 /nfs/dbraw/zinc/82/30/65/493823065.db2.gz QRMDUPUBEMPIJX-HXUWFJFHSA-N 0 3 367.449 3.408 20 5 FGBDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000058422019 493851918 /nfs/dbraw/zinc/85/19/18/493851918.db2.gz JBNJDFVYSPSZSR-PXNSSMCTSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000076388062 493881241 /nfs/dbraw/zinc/88/12/41/493881241.db2.gz RPQYPBCPTJSFSN-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN O=C(NC1CCN(C2CC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050556654 493921054 /nfs/dbraw/zinc/92/10/54/493921054.db2.gz VFUYMBXHGXFLSN-UHFFFAOYSA-N 0 3 372.450 3.075 20 5 FGBDHN CCN1CCC(N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000051468770 493971397 /nfs/dbraw/zinc/97/13/97/493971397.db2.gz FZUKUZORDQZWOJ-UHFFFAOYSA-N 0 3 374.466 3.275 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214050 494007760 /nfs/dbraw/zinc/00/77/60/494007760.db2.gz RPMOSEIDOUXNER-QGZVFWFLSA-N 0 3 366.421 3.442 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000032731770 494009309 /nfs/dbraw/zinc/00/93/09/494009309.db2.gz IWMXBRFQSRHUOA-CVEARBPZSA-N 0 3 374.485 3.188 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cccn1C ZINC000063482876 494059250 /nfs/dbraw/zinc/05/92/50/494059250.db2.gz LRGLFGYKAZNDSM-SFHVURJKSA-N 0 3 356.426 3.407 20 5 FGBDHN CCN(CC)C(=O)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000063605562 494069485 /nfs/dbraw/zinc/06/94/85/494069485.db2.gz JRPNPFKMCBGIIL-IBGZPJMESA-N 0 3 355.438 3.337 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000070928677 494070538 /nfs/dbraw/zinc/07/05/38/494070538.db2.gz NTBWQBVOSJZHKV-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000077495445 494095758 /nfs/dbraw/zinc/09/57/58/494095758.db2.gz QZJGAFSYXHKOFK-UHFFFAOYSA-N 0 3 371.412 3.171 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054226007 494209198 /nfs/dbraw/zinc/20/91/98/494209198.db2.gz KEFDCSAJMPUJNO-QAPCUYQASA-N 0 3 353.422 3.089 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000072673020 494229972 /nfs/dbraw/zinc/22/99/72/494229972.db2.gz GNYPIKWPNSHVNN-ZFWWWQNUSA-N 0 3 357.435 3.413 20 5 FGBDHN Cc1c(NC(=O)CCN(C)[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000072772687 494248713 /nfs/dbraw/zinc/24/87/13/494248713.db2.gz HNKYJKCIEIJEJP-LJQANCHMSA-N 0 3 371.437 3.287 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)cc1C(F)(F)F ZINC000078435063 494296620 /nfs/dbraw/zinc/29/66/20/494296620.db2.gz IPOLSTDUEDYSDX-UHFFFAOYSA-N 0 3 352.316 3.335 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000089603279 494330331 /nfs/dbraw/zinc/33/03/31/494330331.db2.gz SFJLRUAARKHZLD-CYBMUJFWSA-N 0 3 359.348 3.279 20 5 FGBDHN COCCN(C)CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000078659629 494339144 /nfs/dbraw/zinc/33/91/44/494339144.db2.gz VFCQFXRMFBXGNY-QGZVFWFLSA-N 0 3 358.442 3.420 20 5 FGBDHN Cc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000078759011 494356820 /nfs/dbraw/zinc/35/68/20/494356820.db2.gz MULOYKPZUCMQSV-UHFFFAOYSA-N 0 3 357.410 3.233 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066946307 494444213 /nfs/dbraw/zinc/44/42/13/494444213.db2.gz HJDZUEOXMDTCJT-UHFFFAOYSA-N 0 3 361.467 3.293 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073900312 494445219 /nfs/dbraw/zinc/44/52/19/494445219.db2.gz WMRDRHFQNLNSEF-LJQANCHMSA-N 0 3 368.437 3.011 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000067038834 494460660 /nfs/dbraw/zinc/46/06/60/494460660.db2.gz WLOUNRPISOXLSE-UHFFFAOYSA-N 0 3 353.422 3.081 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000067061302 494466480 /nfs/dbraw/zinc/46/64/80/494466480.db2.gz VJUNUQBUEJOKIQ-UHFFFAOYSA-N 0 3 370.453 3.388 20 5 FGBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056336427 494488882 /nfs/dbraw/zinc/48/88/82/494488882.db2.gz GWDAEOWZPZLLEI-UHFFFAOYSA-N 0 3 360.389 3.330 20 5 FGBDHN Cc1ccc([C@H](C)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000090936934 494505095 /nfs/dbraw/zinc/50/50/95/494505095.db2.gz PGVYCYBLCXNULD-HNNXBMFYSA-N 0 3 358.442 3.089 20 5 FGBDHN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000574233600 505726296 /nfs/dbraw/zinc/72/62/96/505726296.db2.gz ZWHOIUSCGBNUOR-YJBOKZPZSA-N 0 3 353.422 3.296 20 5 FGBDHN CN(CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000080098850 494593838 /nfs/dbraw/zinc/59/38/38/494593838.db2.gz ISDRBRNDCDDODX-UHFFFAOYSA-N 0 3 370.453 3.261 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCCC[C@H]3CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000092588725 494679566 /nfs/dbraw/zinc/67/95/66/494679566.db2.gz KIQWIGBJFYSXCM-ZDUSSCGKSA-N 0 3 373.409 3.093 20 5 FGBDHN Cc1cc(N(C)C2CCN(CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000092630300 494691438 /nfs/dbraw/zinc/69/14/38/494691438.db2.gz KZGWHAMEFQBNAA-UHFFFAOYSA-N 0 3 354.454 3.442 20 5 FGBDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 ZINC000067965851 494712667 /nfs/dbraw/zinc/71/26/67/494712667.db2.gz DWHVCYBMUPFARI-MRXNPFEDSA-N 0 3 358.398 3.365 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000091893060 494716386 /nfs/dbraw/zinc/71/63/86/494716386.db2.gz HFYRXZDQXGFMRR-HIFRSBDPSA-N 0 3 355.385 3.255 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000067977567 494717823 /nfs/dbraw/zinc/71/78/23/494717823.db2.gz QUKOBAZSVFICNT-OAHLLOKOSA-N 0 3 370.327 3.143 20 5 FGBDHN CC(C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000116341194 494764598 /nfs/dbraw/zinc/76/45/98/494764598.db2.gz MTDVFNDEVLPMQP-UHFFFAOYSA-N 0 3 369.215 3.478 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000026224396 494811603 /nfs/dbraw/zinc/81/16/03/494811603.db2.gz MJMXNZXHHGJKQV-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000116816266 494857123 /nfs/dbraw/zinc/85/71/23/494857123.db2.gz ATNJJYHBEVWOST-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000116918362 494870483 /nfs/dbraw/zinc/87/04/83/494870483.db2.gz WGHOQGTXXHTRDZ-RUZDIDTESA-N 0 3 361.467 3.221 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000109563082 494891138 /nfs/dbraw/zinc/89/11/38/494891138.db2.gz HTSRPCKFLGQVIJ-AWEZNQCLSA-N 0 3 359.451 3.298 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCSc3ccc(F)cc3)C2)nc1 ZINC000122266978 494949483 /nfs/dbraw/zinc/94/94/83/494949483.db2.gz PUAQWSSIMTYGKV-CQSZACIVSA-N 0 3 362.430 3.407 20 5 FGBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133018512 494956780 /nfs/dbraw/zinc/95/67/80/494956780.db2.gz JBRMZYYVCVGLEB-UONOGXRCSA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110965957 495026377 /nfs/dbraw/zinc/02/63/77/495026377.db2.gz FYXYZANCAJHJEY-OAHLLOKOSA-N 0 3 373.478 3.324 20 5 FGBDHN COc1ccc(-c2ccc(CNCC[C@@H](C)[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000133676446 495045273 /nfs/dbraw/zinc/04/52/73/495045273.db2.gz WMTPSXHDKCJTGY-YDBLSZJJSA-N 0 3 366.439 3.110 20 5 FGBDHN CCO[C@H]1C[C@@H]1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000577580880 505757933 /nfs/dbraw/zinc/75/79/33/505757933.db2.gz PWIATDMIGJZEIM-HKUYNNGSSA-N 0 3 372.421 3.449 20 5 FGBDHN COc1ccc(-c2ccc(CNCCCn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000102420928 495136316 /nfs/dbraw/zinc/13/63/16/495136316.db2.gz LCBCMIVNQMXPRG-UHFFFAOYSA-N 0 3 356.382 3.240 20 5 FGBDHN CCC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000134532644 495164783 /nfs/dbraw/zinc/16/47/83/495164783.db2.gz KUAHQDLYUNQPKI-AWEZNQCLSA-N 0 3 359.451 3.424 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134880521 495214702 /nfs/dbraw/zinc/21/47/02/495214702.db2.gz PWFYVVNXCWTZJI-RDJZCZTQSA-N 0 3 353.422 3.296 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H](c1ccccc1)N1CCCC1 ZINC000124600717 495314482 /nfs/dbraw/zinc/31/44/82/495314482.db2.gz KUCZLBASAAPXAQ-LJQANCHMSA-N 0 3 371.412 3.230 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN(CCCO)[C@H]1CCc2ccccc21 ZINC000114468992 495379800 /nfs/dbraw/zinc/37/98/00/495379800.db2.gz YXSZDSOUGVWHHS-SFHVURJKSA-N 0 3 356.422 3.346 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccc3ncccc3c2[N+](=O)[O-])ccn1 ZINC000179351235 495555243 /nfs/dbraw/zinc/55/52/43/495555243.db2.gz RPTNVILZOJDJEQ-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182428393 495560188 /nfs/dbraw/zinc/56/01/88/495560188.db2.gz ZUCSLOMPYGDDIA-BBRMVZONSA-N 0 3 366.364 3.354 20 5 FGBDHN C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000158722900 495575812 /nfs/dbraw/zinc/57/58/12/495575812.db2.gz MWONWCWHWLKFKL-OXJNMPFZSA-N 0 3 355.438 3.146 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000150754317 495623284 /nfs/dbraw/zinc/62/32/84/495623284.db2.gz XCMHBIKYZDLSLN-KSSFIOAISA-N 0 3 371.412 3.374 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(OCc2ccccn2)c1 ZINC000179685603 495690941 /nfs/dbraw/zinc/69/09/41/495690941.db2.gz ORRGYOFZKUVXTA-HNNXBMFYSA-N 0 3 367.409 3.116 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000182766441 495695672 /nfs/dbraw/zinc/69/56/72/495695672.db2.gz NGQQSLLSQUICMG-GJZGRUSLSA-N 0 3 355.442 3.382 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154901899 495766731 /nfs/dbraw/zinc/76/67/31/495766731.db2.gz UBTSTHIPBFIOHV-CQSZACIVSA-N 0 3 356.426 3.137 20 5 FGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000159915754 495840059 /nfs/dbraw/zinc/84/00/59/495840059.db2.gz AYGUFQYYINKBJA-GFCCVEGCSA-N 0 3 361.348 3.006 20 5 FGBDHN CCOc1cccc(NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000183153936 495857614 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ZINC000190424402 497473666 /nfs/dbraw/zinc/47/36/66/497473666.db2.gz QJDAKKWFCLLBOX-WIVVLVHASA-N 0 3 356.426 3.334 20 5 FGBDHN COc1cc(CN(C)CCCCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000276683384 497627730 /nfs/dbraw/zinc/62/77/30/497627730.db2.gz QWGUFSUULWJZDI-UHFFFAOYSA-N 0 3 374.437 3.387 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000246729517 497805291 /nfs/dbraw/zinc/80/52/91/497805291.db2.gz MBDRFMGYEJVJKI-RDTXWAMCSA-N 0 3 353.422 3.319 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C ZINC000581402346 505979578 /nfs/dbraw/zinc/97/95/78/505979578.db2.gz HCTOFCZAPCHQEI-UGSOOPFHSA-N 0 3 356.426 3.105 20 5 FGBDHN CCN1CCC(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C2CC2)CC1 ZINC000364756810 498129439 /nfs/dbraw/zinc/12/94/39/498129439.db2.gz OAERDSTUPVGNHN-UHFFFAOYSA-N 0 3 365.861 3.266 20 5 FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285567901 498132235 /nfs/dbraw/zinc/13/22/35/498132235.db2.gz HMXJEEJSHJKVGW-WCQYABFASA-N 0 3 352.822 3.339 20 5 FGBDHN COc1ccc(CNCCc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000292832587 498162643 /nfs/dbraw/zinc/16/26/43/498162643.db2.gz AQQGQONMIPAYIH-UHFFFAOYSA-N 0 3 355.316 3.350 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000301743163 498248649 /nfs/dbraw/zinc/24/86/49/498248649.db2.gz ZAQXFZJWNRDOQX-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302028446 498374243 /nfs/dbraw/zinc/37/42/43/498374243.db2.gz RFWFVDMDDFTWKF-IBGZPJMESA-N 0 3 371.485 3.135 20 5 FGBDHN C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293563368 498412266 /nfs/dbraw/zinc/41/22/66/498412266.db2.gz CYLBHQQCKMSPGL-CQSZACIVSA-N 0 3 368.437 3.150 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000365455653 498475103 /nfs/dbraw/zinc/47/51/03/498475103.db2.gz DULCTXUIPXQKIU-HNNXBMFYSA-N 0 3 366.893 3.020 20 5 FGBDHN COc1cccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302771496 498566236 /nfs/dbraw/zinc/56/62/36/498566236.db2.gz CHXBCBJGXJHHIV-QGZVFWFLSA-N 0 3 371.437 3.306 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000302785653 498574799 /nfs/dbraw/zinc/57/47/99/498574799.db2.gz MWGBDYYIHUZYSE-KRWDZBQOSA-N 0 3 359.401 3.437 20 5 FGBDHN Cc1nn(-c2ccccn2)c(C)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000282698095 498616023 /nfs/dbraw/zinc/61/60/23/498616023.db2.gz PVVWXKGQPPDRQB-UHFFFAOYSA-N 0 3 351.410 3.125 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000298001079 498634624 /nfs/dbraw/zinc/63/46/24/498634624.db2.gz ZEOBKHBSQBUGFF-SWLSCSKDSA-N 0 3 351.834 3.113 20 5 FGBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332325551 498649275 /nfs/dbraw/zinc/64/92/75/498649275.db2.gz JCUBZBULDQINEC-YJYMSZOUSA-N 0 3 364.442 3.128 20 5 FGBDHN COc1cccc([C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])N(C)C)c1 ZINC000326580525 498845181 /nfs/dbraw/zinc/84/51/81/498845181.db2.gz HGIFCTFRHSKTIB-CQSZACIVSA-N 0 3 350.806 3.367 20 5 FGBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 ZINC000363815545 499008616 /nfs/dbraw/zinc/00/86/16/499008616.db2.gz HTXRUOLRUCQIDS-IINYFYTJSA-N 0 3 372.347 3.172 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000363958237 499067331 /nfs/dbraw/zinc/06/73/31/499067331.db2.gz CEOQQCADVWXAQD-BZNIZROVSA-N 0 3 363.414 3.218 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H]3CCCC34CCOCC4)o2)cc1 ZINC000367064949 499142856 /nfs/dbraw/zinc/14/28/56/499142856.db2.gz GFTKYVTTXQVBQM-OAHLLOKOSA-N 0 3 358.398 3.084 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCO[C@@]4(CCOC4)C3)o2)cc1 ZINC000367422835 499197347 /nfs/dbraw/zinc/19/73/47/499197347.db2.gz NORREVLVYWJCKI-KXBFYZLASA-N 0 3 358.394 3.283 20 5 FGBDHN CC[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000370635542 499238066 /nfs/dbraw/zinc/23/80/66/499238066.db2.gz PMJHEGUXKKMPHO-MAUKXSAKSA-N 0 3 368.437 3.013 20 5 FGBDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000370917299 499270332 /nfs/dbraw/zinc/27/03/32/499270332.db2.gz MITFDRYHNSZOHR-MSOLQXFVSA-N 0 3 357.385 3.081 20 5 FGBDHN CN1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369567038 499418729 /nfs/dbraw/zinc/41/87/29/499418729.db2.gz GFUNKDFOSIAHGZ-RDTXWAMCSA-N 0 3 359.451 3.008 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000369586121 499422709 /nfs/dbraw/zinc/42/27/09/499422709.db2.gz MXLMEFSSXWWVNT-UHFFFAOYSA-N 0 3 352.398 3.019 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000373179704 499455838 /nfs/dbraw/zinc/45/58/38/499455838.db2.gz LUJHXGYWCMKWOQ-QVNOTHCHSA-N 0 3 353.378 3.053 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccn1)C1CCCC1 ZINC000373281304 499461259 /nfs/dbraw/zinc/46/12/59/499461259.db2.gz QIRXEBLIPWHSFX-OXQOHEQNSA-N 0 3 371.437 3.251 20 5 FGBDHN Cc1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000390967535 499556065 /nfs/dbraw/zinc/55/60/65/499556065.db2.gz PXLFBTFBDKOWMK-KRWDZBQOSA-N 0 3 356.426 3.001 20 5 FGBDHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000573249384 506152847 /nfs/dbraw/zinc/15/28/47/506152847.db2.gz HRLXSTRXNDXJEX-JXFKEZNVSA-N 0 3 356.422 3.137 20 5 FGBDHN CN(CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411190295 499708616 /nfs/dbraw/zinc/70/86/16/499708616.db2.gz NWXUIHAOMFUIJR-VQTJNVASSA-N 0 3 367.449 3.337 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCC(C)(C)S(C)(=O)=O ZINC000414251073 499771330 /nfs/dbraw/zinc/77/13/30/499771330.db2.gz GSZFHSVGVPXIKX-CYBMUJFWSA-N 0 3 374.528 3.268 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411953498 499806277 /nfs/dbraw/zinc/80/62/77/499806277.db2.gz UIGDBBUDOMJZQP-HKUYNNGSSA-N 0 3 369.421 3.040 20 5 FGBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC(=O)N1 ZINC000414557573 499808573 /nfs/dbraw/zinc/80/85/73/499808573.db2.gz LZCYHGGBVIKWCG-HNNXBMFYSA-N 0 3 357.410 3.344 20 5 FGBDHN CC(C)N(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC(=O)N1 ZINC000414563586 499810028 /nfs/dbraw/zinc/81/00/28/499810028.db2.gz WIDMMMWPELEDOK-OAHLLOKOSA-N 0 3 357.410 3.344 20 5 FGBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000573290826 506162368 /nfs/dbraw/zinc/16/23/68/506162368.db2.gz QGPYLIVZBDIGMP-QFBILLFUSA-N 0 3 351.410 3.006 20 5 FGBDHN CCOCCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1CC ZINC000413136064 499918062 /nfs/dbraw/zinc/91/80/62/499918062.db2.gz SHFYRTXQXDUGOY-OAHLLOKOSA-N 0 3 358.442 3.080 20 5 FGBDHN CO[C@@H]1C[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000425499246 500125624 /nfs/dbraw/zinc/12/56/24/500125624.db2.gz ZXNMONAGKWYWGQ-UONOGXRCSA-N 0 3 355.232 3.405 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000417764024 500166572 /nfs/dbraw/zinc/16/65/72/500166572.db2.gz LLPXKGUJXWPDBI-SFHVURJKSA-N 0 3 370.453 3.260 20 5 FGBDHN CN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000429946081 500170739 /nfs/dbraw/zinc/17/07/39/500170739.db2.gz PHHCUZGSLQRMIB-KRWDZBQOSA-N 0 3 369.465 3.162 20 5 FGBDHN Cc1ccc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430876038 500300296 /nfs/dbraw/zinc/30/02/96/500300296.db2.gz PTNAWPDBEJGOHI-KRWDZBQOSA-N 0 3 353.422 3.388 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418650121 500300441 /nfs/dbraw/zinc/30/04/41/500300441.db2.gz KFCAEEXPDREEIG-QGZVFWFLSA-N 0 3 370.453 3.392 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000426873723 500331475 /nfs/dbraw/zinc/33/14/75/500331475.db2.gz GNGSONNPPDLYKD-GOSISDBHSA-N 0 3 371.437 3.416 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431694718 500410659 /nfs/dbraw/zinc/41/06/59/500410659.db2.gz VBIMPPHQQIGQTG-CVEARBPZSA-N 0 3 358.398 3.174 20 5 FGBDHN O=C([C@H]1CCCCN1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427961997 500451602 /nfs/dbraw/zinc/45/16/02/500451602.db2.gz DORUZFUHBRSGAT-GOSISDBHSA-N 0 3 373.453 3.113 20 5 FGBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000420590846 500475165 /nfs/dbraw/zinc/47/51/65/500475165.db2.gz UNDSBPOYUMUKMD-AWEZNQCLSA-N 0 3 360.439 3.004 20 5 FGBDHN CSc1ccc([C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000420635874 500480963 /nfs/dbraw/zinc/48/09/63/500480963.db2.gz LZSSVPZPNDKDPY-MRXNPFEDSA-N 0 3 374.466 3.130 20 5 FGBDHN CN1CC[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000424317212 500485584 /nfs/dbraw/zinc/48/55/84/500485584.db2.gz DWHWWIJSMFMZPG-FOIQADDNSA-N 0 3 353.422 3.142 20 5 FGBDHN CN1CC[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000424317214 500485633 /nfs/dbraw/zinc/48/56/33/500485633.db2.gz DWHWWIJSMFMZPG-QRWLVFNGSA-N 0 3 353.422 3.142 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(C)CC1 ZINC000437206227 500614492 /nfs/dbraw/zinc/61/44/92/500614492.db2.gz CSHOJPTUTAHBSE-GFCCVEGCSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(OCC3CC3)nc2)n1 ZINC000447541992 500620895 /nfs/dbraw/zinc/62/08/95/500620895.db2.gz HSYXLYPPOSIFOM-IRXDYDNUSA-N 0 3 371.441 3.249 20 5 FGBDHN CN(C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000433421683 500690633 /nfs/dbraw/zinc/69/06/33/500690633.db2.gz PIVSCQZPLMADHZ-UHFFFAOYSA-N 0 3 351.410 3.106 20 5 FGBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000433771091 500741784 /nfs/dbraw/zinc/74/17/84/500741784.db2.gz MMVJDEBTNITZLQ-CYBMUJFWSA-N 0 3 365.478 3.072 20 5 FGBDHN CC(C)N(C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444017704 500792702 /nfs/dbraw/zinc/79/27/02/500792702.db2.gz AOMGDHYOUGFNJX-UHFFFAOYSA-N 0 3 373.403 3.030 20 5 FGBDHN CCCCN(C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444015651 500792778 /nfs/dbraw/zinc/79/27/78/500792778.db2.gz VVNUABBVYGDFNF-UHFFFAOYSA-N 0 3 369.440 3.282 20 5 FGBDHN CCN(CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)C ZINC000444041985 500795876 /nfs/dbraw/zinc/79/58/76/500795876.db2.gz HFJBWZJGOAJJDT-UHFFFAOYSA-N 0 3 351.450 3.141 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000438564993 500802546 /nfs/dbraw/zinc/80/25/46/500802546.db2.gz APUMVEIEQKBPFP-UHFFFAOYSA-N 0 3 359.451 3.430 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Br ZINC000602569032 506220280 /nfs/dbraw/zinc/22/02/80/506220280.db2.gz PBZKHQAJXXRYFB-WCQGTBRESA-N 0 3 361.261 3.466 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448954459 500879738 /nfs/dbraw/zinc/87/97/38/500879738.db2.gz JXHRKVZWXJTDRH-GFCCVEGCSA-N 0 3 359.348 3.218 20 5 FGBDHN COc1cc(OC)c(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449086261 500921483 /nfs/dbraw/zinc/92/14/83/500921483.db2.gz BMZFLMVXUXBWLX-CYBMUJFWSA-N 0 3 360.410 3.341 20 5 FGBDHN CCCNC(=O)c1cccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449088622 500921954 /nfs/dbraw/zinc/92/19/54/500921954.db2.gz IHPHZPXPTYINSR-HNNXBMFYSA-N 0 3 355.438 3.455 20 5 FGBDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000435042664 500926340 /nfs/dbraw/zinc/92/63/40/500926340.db2.gz WILIICIYCVBJBQ-HNNXBMFYSA-N 0 3 359.426 3.007 20 5 FGBDHN COC(=O)c1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449216751 500949765 /nfs/dbraw/zinc/94/97/65/500949765.db2.gz UZYYVEXMSFHIHR-ZDUSSCGKSA-N 0 3 358.394 3.111 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCC23CCCCC3)cc1 ZINC000449235016 500953853 /nfs/dbraw/zinc/95/38/53/500953853.db2.gz DSSBCDPVNHBNBL-QGZVFWFLSA-N 0 3 366.483 3.461 20 5 FGBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000449239779 500955233 /nfs/dbraw/zinc/95/52/33/500955233.db2.gz WRQBJXXAEYQQJN-CKEIUWERSA-N 0 3 354.472 3.173 20 5 FGBDHN CSc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000440627019 501030927 /nfs/dbraw/zinc/03/09/27/501030927.db2.gz SQJIRRNAXZXRAH-KBPBESRZSA-N 0 3 362.451 3.407 20 5 FGBDHN CSc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000440627020 501031049 /nfs/dbraw/zinc/03/10/49/501031049.db2.gz SQJIRRNAXZXRAH-UONOGXRCSA-N 0 3 362.451 3.407 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445915708 501050907 /nfs/dbraw/zinc/05/09/07/501050907.db2.gz JYIKBTFSRGKEKX-VQIMIIECSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1ccc2nc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cn2c1 ZINC000582459031 506232903 /nfs/dbraw/zinc/23/29/03/506232903.db2.gz UMFBGGLQXCFIEH-HZPDHXFCSA-N 0 3 354.414 3.021 20 5 FGBDHN COc1ccc(OCCN(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056448 501081670 /nfs/dbraw/zinc/08/16/70/501081670.db2.gz YLQJNTYJSMFNRM-XOBRGWDASA-N 0 3 372.421 3.306 20 5 FGBDHN COc1ccc([C@@H](CCn2cncn2)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000446939642 501183728 /nfs/dbraw/zinc/18/37/28/501183728.db2.gz PEJYPWOWJLQUPV-LJQANCHMSA-N 0 3 367.409 3.116 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H]3CCN(c4ccccc4)C3)nc2c1 ZINC000602638461 506241349 /nfs/dbraw/zinc/24/13/49/506241349.db2.gz SRPBGVRNOKUQTA-AWEZNQCLSA-N 0 3 351.410 3.087 20 5 FGBDHN COc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])cc1F ZINC000450855254 501218740 /nfs/dbraw/zinc/21/87/40/501218740.db2.gz HALZIFQRWHGJLR-JCURWCKSSA-N 0 3 350.390 3.180 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCC2 ZINC000450970600 501235954 /nfs/dbraw/zinc/23/59/54/501235954.db2.gz NUVGCWJUUARUAF-DLBZAZTESA-N 0 3 361.442 3.169 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451428377 501290853 /nfs/dbraw/zinc/29/08/53/501290853.db2.gz WCYBSVYGQKCLGQ-VJUNAUMWSA-N 0 3 372.425 3.331 20 5 FGBDHN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458190889 501388278 /nfs/dbraw/zinc/38/82/78/501388278.db2.gz CSIIGNFSJHYOAO-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1CN(C)C ZINC000458265148 501407085 /nfs/dbraw/zinc/40/70/85/501407085.db2.gz CGTQQZHNXKWGJN-UHFFFAOYSA-N 0 3 356.426 3.406 20 5 FGBDHN COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1ccccc1 ZINC000451997585 501415521 /nfs/dbraw/zinc/41/55/21/501415521.db2.gz ALHFIHUZXAVFCE-QZTJIDSGSA-N 0 3 354.406 3.292 20 5 FGBDHN C[C@H]1Oc2ccccc2[C@H]1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602665093 506252561 /nfs/dbraw/zinc/25/25/61/506252561.db2.gz QIDXELSMANVLFT-YJYMSZOUSA-N 0 3 354.410 3.070 20 5 FGBDHN O=C(NC1CCN(C2CC2)CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454203240 501481404 /nfs/dbraw/zinc/48/14/04/501481404.db2.gz CUFMOQHPJWWVAR-MRXNPFEDSA-N 0 3 372.469 3.111 20 5 FGBDHN COCCCN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596105205 506261758 /nfs/dbraw/zinc/26/17/58/506261758.db2.gz SRRGHIDPJDENCR-UHFFFAOYSA-N 0 3 372.263 3.270 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H](c3cccs3)N3CCCC3)c2c1 ZINC000611700751 506262255 /nfs/dbraw/zinc/26/22/55/506262255.db2.gz UYQMQYOJWWIKPP-MRXNPFEDSA-N 0 3 369.450 3.270 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000454651933 501601671 /nfs/dbraw/zinc/60/16/71/501601671.db2.gz HBMQJJYAEXHTRN-PVAVHDDUSA-N 0 3 372.469 3.109 20 5 FGBDHN CC(C)(CN1CCCC1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000457041211 501639325 /nfs/dbraw/zinc/63/93/25/501639325.db2.gz GFCDVUAXJBUMNK-UHFFFAOYSA-N 0 3 368.437 3.261 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457114198 501652567 /nfs/dbraw/zinc/65/25/67/501652567.db2.gz KKBVFWYROOHBKX-HNNXBMFYSA-N 0 3 374.466 3.273 20 5 FGBDHN COc1cc(CNC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000598992470 506266302 /nfs/dbraw/zinc/26/63/02/506266302.db2.gz PAMSPDTYQFYQMG-INIZCTEOSA-N 0 3 363.458 3.109 20 5 FGBDHN C[C@@H]1CN(c2ccccc2CN(C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000459546476 501674243 /nfs/dbraw/zinc/67/42/43/501674243.db2.gz QTYVKYXXIIRYKY-QGZVFWFLSA-N 0 3 369.465 3.494 20 5 FGBDHN COc1cc(CN[C@@H](C(C)C)C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000459546733 501674292 /nfs/dbraw/zinc/67/42/92/501674292.db2.gz VCJRVBUTTOAAQF-KRWDZBQOSA-N 0 3 354.422 3.409 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cnccc2C(F)(F)F)n1 ZINC000596118172 506267328 /nfs/dbraw/zinc/26/73/28/506267328.db2.gz RJXTWMUKYWOULI-ZIAGYGMSSA-N 0 3 369.347 3.479 20 5 FGBDHN O=c1[n-]ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000596120820 506268132 /nfs/dbraw/zinc/26/81/32/506268132.db2.gz TVHDEARQAPNVGA-MQVJKMGUSA-N 0 3 354.410 3.303 20 5 FGBDHN O=c1[n-]ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000596120820 506268142 /nfs/dbraw/zinc/26/81/42/506268142.db2.gz TVHDEARQAPNVGA-MQVJKMGUSA-N 0 3 354.410 3.303 20 5 FGBDHN COc1cccc2c1C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000459713841 501702848 /nfs/dbraw/zinc/70/28/48/501702848.db2.gz XLCSBULSVQKDBZ-ZDUSSCGKSA-N 0 3 364.348 3.462 20 5 FGBDHN COc1ccc(CN2CC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000598994204 506268918 /nfs/dbraw/zinc/26/89/18/506268918.db2.gz YIPZENHFNMBNOX-QGZVFWFLSA-N 0 3 359.401 3.107 20 5 FGBDHN CC(C)N1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671481 501761800 /nfs/dbraw/zinc/76/18/00/501761800.db2.gz TYPVOAKBWZSMRO-UONOGXRCSA-N 0 3 351.472 3.064 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCC1 ZINC000467415551 501789348 /nfs/dbraw/zinc/78/93/48/501789348.db2.gz ZAWJXWIRNUPHIZ-KBPBESRZSA-N 0 3 351.472 3.066 20 5 FGBDHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474336177 501794968 /nfs/dbraw/zinc/79/49/68/501794968.db2.gz ZADVYUBWVOCVRG-GOSISDBHSA-N 0 3 354.410 3.333 20 5 FGBDHN COc1cc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000467771333 501866741 /nfs/dbraw/zinc/86/67/41/501866741.db2.gz PLOVKZVGJICHQU-UHFFFAOYSA-N 0 3 355.410 3.044 20 5 FGBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1cccs1 ZINC000596145965 506278623 /nfs/dbraw/zinc/27/86/23/506278623.db2.gz JGBXCWFOQGNNHU-SJKOYZFVSA-N 0 3 374.466 3.250 20 5 FGBDHN C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000467851332 501890865 /nfs/dbraw/zinc/89/08/65/501890865.db2.gz LSDSXRLGWUPUOR-AFAVFJNCSA-N 0 3 350.365 3.483 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000464083998 501894759 /nfs/dbraw/zinc/89/47/59/501894759.db2.gz WPVFDEJJTYLBFY-IAGOWNOFSA-N 0 3 352.431 3.294 20 5 FGBDHN CSc1cccc(C(=O)N(C)C2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000485745836 501922087 /nfs/dbraw/zinc/92/20/87/501922087.db2.gz ZSRHHEUYHGNOEO-UHFFFAOYSA-N 0 3 351.472 3.262 20 5 FGBDHN C[C@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000599021114 506281795 /nfs/dbraw/zinc/28/17/95/506281795.db2.gz DQGCUNOIYPMUHW-GOEBONIOSA-N 0 3 360.458 3.362 20 5 FGBDHN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000474785279 501952036 /nfs/dbraw/zinc/95/20/36/501952036.db2.gz RSZSJOPKKAUBIE-QWRGUYRKSA-N 0 3 357.252 3.427 20 5 FGBDHN CCC[C@H]1CCCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475100059 502059238 /nfs/dbraw/zinc/05/92/38/502059238.db2.gz GVQLAJAZOWMCSB-HNNXBMFYSA-N 0 3 350.415 3.301 20 5 FGBDHN Cc1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461783022 502199451 /nfs/dbraw/zinc/19/94/51/502199451.db2.gz CMHVWNZPIGCSHV-HUUCEWRRSA-N 0 3 365.449 3.368 20 5 FGBDHN CC(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000482910532 502214385 /nfs/dbraw/zinc/21/43/85/502214385.db2.gz ILBKZSGWUUQOOX-KRWDZBQOSA-N 0 3 367.877 3.417 20 5 FGBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN1C1CCCC1 ZINC000482913508 502214653 /nfs/dbraw/zinc/21/46/53/502214653.db2.gz UUYUCCFMTPBVCD-INIZCTEOSA-N 0 3 365.861 3.314 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475711550 502260391 /nfs/dbraw/zinc/26/03/91/502260391.db2.gz CFWGWMBYUGJSFE-HNNXBMFYSA-N 0 3 364.442 3.405 20 5 FGBDHN Cc1ccc(CCN(CCn2cc([N+](=O)[O-])cn2)Cc2ccco2)cc1 ZINC000472237276 502280667 /nfs/dbraw/zinc/28/06/67/502280667.db2.gz GSSBSOHRVSLRSU-UHFFFAOYSA-N 0 3 354.410 3.438 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599064476 506304303 /nfs/dbraw/zinc/30/43/03/506304303.db2.gz AZWNDBPCZWQCHI-JSGCOSHPSA-N 0 3 357.401 3.374 20 5 FGBDHN Cn1ccnc1[C@@H](NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073527 506310114 /nfs/dbraw/zinc/31/01/14/506310114.db2.gz IHYSTLKCTJWSFY-MOPGFXCFSA-N 0 3 369.469 3.024 20 5 FGBDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428199 502388716 /nfs/dbraw/zinc/38/87/16/502388716.db2.gz CBBVYIJDNNWGEF-YLJYHZDGSA-N 0 3 374.412 3.137 20 5 FGBDHN O=C1Nc2ccccc2C[C@@H]1N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599074090 506310236 /nfs/dbraw/zinc/31/02/36/506310236.db2.gz LCQBYBYUVVQBEE-YJLNNSPDSA-N 0 3 365.433 3.459 20 5 FGBDHN CN(C)Cc1ccccc1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487224137 502396052 /nfs/dbraw/zinc/39/60/52/502396052.db2.gz UNXIICWWQPHDLV-UHFFFAOYSA-N 0 3 361.829 3.282 20 5 FGBDHN COc1cc(CNCCC(C)(C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000479874764 502405136 /nfs/dbraw/zinc/40/51/36/502405136.db2.gz UHDXWWJCYXWKRZ-UHFFFAOYSA-N 0 3 374.437 3.433 20 5 FGBDHN O=C(c1ccccc1)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000479921960 502419938 /nfs/dbraw/zinc/41/99/38/502419938.db2.gz VFUOTSOPQBVOHQ-UHFFFAOYSA-N 0 3 357.385 3.128 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000487813831 502535699 /nfs/dbraw/zinc/53/56/99/502535699.db2.gz BMUUZZRNPMTLBZ-GJZGRUSLSA-N 0 3 362.474 3.250 20 5 FGBDHN COC(=O)c1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])n(C)c1C ZINC000462795507 502578519 /nfs/dbraw/zinc/57/85/19/502578519.db2.gz UFWIJTPTAMNLOX-UHFFFAOYSA-N 0 3 365.817 3.014 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000480488338 502580418 /nfs/dbraw/zinc/58/04/18/502580418.db2.gz QWUAFENPMYJSCF-INIZCTEOSA-N 0 3 358.442 3.418 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000480488339 502580596 /nfs/dbraw/zinc/58/05/96/502580596.db2.gz QWUAFENPMYJSCF-MRXNPFEDSA-N 0 3 358.442 3.418 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006502 502597445 /nfs/dbraw/zinc/59/74/45/502597445.db2.gz GGUQAXCNXASSSD-AFIMGQEJSA-N 0 3 360.458 3.028 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)c1nc2sccn2c1[N+](=O)[O-] ZINC000470045651 502639176 /nfs/dbraw/zinc/63/91/76/502639176.db2.gz LAQSSRJAVYNREI-UHFFFAOYSA-N 0 3 363.418 3.011 20 5 FGBDHN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000470128601 502670650 /nfs/dbraw/zinc/67/06/50/502670650.db2.gz NRBLAZVZIZOQFA-QGZVFWFLSA-N 0 3 372.400 3.472 20 5 FGBDHN COC(=O)[C@@](C)(CNC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000470145998 502677936 /nfs/dbraw/zinc/67/79/36/502677936.db2.gz CKTVMHQOPPDOAU-WSCHBXBGSA-N 0 3 354.406 3.329 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000470174532 502695021 /nfs/dbraw/zinc/69/50/21/502695021.db2.gz LVFROBFXRVDRHA-WBILKINKSA-N 0 3 359.470 3.183 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000470179189 502697934 /nfs/dbraw/zinc/69/79/34/502697934.db2.gz UCMQEZJTVUHBKC-KAPURRDVSA-N 0 3 357.454 3.236 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060715 502774838 /nfs/dbraw/zinc/77/48/38/502774838.db2.gz SSVZVYOBISFZIP-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN CN1CC[C@@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000488738591 502798960 /nfs/dbraw/zinc/79/89/60/502798960.db2.gz VNGKQZUUUGBIHB-OAQYLSRUSA-N 0 3 365.433 3.358 20 5 FGBDHN CC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(CC)CC ZINC000470520466 502803700 /nfs/dbraw/zinc/80/37/00/502803700.db2.gz IUDPFEBXSSAZDP-SFHVURJKSA-N 0 3 363.458 3.085 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCCOCC3)CC2)cc1C(F)(F)F ZINC000596268278 506335682 /nfs/dbraw/zinc/33/56/82/506335682.db2.gz IZCKWBNJTSWTOT-UHFFFAOYSA-N 0 3 373.375 3.305 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000500853650 502878131 /nfs/dbraw/zinc/87/81/31/502878131.db2.gz VHYDYFPOIXJAGP-QAPCUYQASA-N 0 3 353.422 3.469 20 5 FGBDHN CC(C)c1ccc(CNCCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000509431103 502900975 /nfs/dbraw/zinc/90/09/75/502900975.db2.gz UCPQFJONYTXUAR-UHFFFAOYSA-N 0 3 366.425 3.026 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000593023948 506343226 /nfs/dbraw/zinc/34/32/26/506343226.db2.gz HYBSUEOTBPHVID-LRDDRELGSA-N 0 3 356.378 3.036 20 5 FGBDHN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000505614274 502951577 /nfs/dbraw/zinc/95/15/77/502951577.db2.gz VIWYPBAGXUWUTG-YJYMSZOUSA-N 0 3 366.421 3.497 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000497431753 502957733 /nfs/dbraw/zinc/95/77/33/502957733.db2.gz HEJVPRJGCOSQID-OXQOHEQNSA-N 0 3 368.437 3.484 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000505684814 502965477 /nfs/dbraw/zinc/96/54/77/502965477.db2.gz ZVMIXZQNWPSKLR-YLJYHZDGSA-N 0 3 359.470 3.108 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000593024910 506344937 /nfs/dbraw/zinc/34/49/37/506344937.db2.gz KLGMAYHSSYFJMQ-DOTOQJQBSA-N 0 3 350.415 3.065 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000588821085 506345972 /nfs/dbraw/zinc/34/59/72/506345972.db2.gz QZMUBEXTPXRKAH-HNNXBMFYSA-N 0 3 357.458 3.220 20 5 FGBDHN COc1ccc(OCCN2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000505901352 503009337 /nfs/dbraw/zinc/00/93/37/503009337.db2.gz PVCBADHFLLGYHO-INIZCTEOSA-N 0 3 372.421 3.383 20 5 FGBDHN COC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000506293897 503088767 /nfs/dbraw/zinc/08/87/67/503088767.db2.gz IAMALNUGXRSKQY-ZDUSSCGKSA-N 0 3 374.393 3.248 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC000510523936 503132924 /nfs/dbraw/zinc/13/29/24/503132924.db2.gz MXZMTUHZRFDMIN-FOIQADDNSA-N 0 3 371.437 3.090 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498292122 503151750 /nfs/dbraw/zinc/15/17/50/503151750.db2.gz UZELZILGXLZHHN-OKILXGFUSA-N 0 3 356.426 3.136 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498292121 503152148 /nfs/dbraw/zinc/15/21/48/503152148.db2.gz UZELZILGXLZHHN-KBPBESRZSA-N 0 3 356.426 3.136 20 5 FGBDHN COc1cc(CN2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354385 503160463 /nfs/dbraw/zinc/16/04/63/503160463.db2.gz LKBFFNBZJPULQC-GFCCVEGCSA-N 0 3 356.369 3.479 20 5 FGBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507121865 503234631 /nfs/dbraw/zinc/23/46/31/503234631.db2.gz XEKWDNQLANVRAS-UHFFFAOYSA-N 0 3 367.449 3.376 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000499107405 503335604 /nfs/dbraw/zinc/33/56/04/503335604.db2.gz TURMJXUXLMXQLB-MRXNPFEDSA-N 0 3 362.474 3.482 20 5 FGBDHN Cc1c(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000503099203 503347329 /nfs/dbraw/zinc/34/73/29/503347329.db2.gz ASIGTOCRQRRREN-HNAYVOBHSA-N 0 3 370.453 3.394 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000516103224 503446597 /nfs/dbraw/zinc/44/65/97/503446597.db2.gz COVJQNMDJOHVEJ-AEFFLSMTSA-N 0 3 373.497 3.496 20 5 FGBDHN CCC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1CCOC ZINC000499641201 503448869 /nfs/dbraw/zinc/44/88/69/503448869.db2.gz LRLMSLUNFFZBFA-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593069038 506373015 /nfs/dbraw/zinc/37/30/15/506373015.db2.gz RCDZPEHYBDBXFK-CMPLNLGQSA-N 0 3 358.316 3.232 20 5 FGBDHN O=[N+]([O-])c1cccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593068965 506373579 /nfs/dbraw/zinc/37/35/79/506373579.db2.gz QETSDVOAWBBPLT-RTWAWAEBSA-N 0 3 367.449 3.070 20 5 FGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCc1nc(-c2ccccc2)no1 ZINC000512152550 503471492 /nfs/dbraw/zinc/47/14/92/503471492.db2.gz NYKOGINHJZFFEY-UHFFFAOYSA-N 0 3 368.393 3.198 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000516354304 503499662 /nfs/dbraw/zinc/49/96/62/503499662.db2.gz KEIPWNSISQYOFT-UHFFFAOYSA-N 0 3 366.487 3.106 20 5 FGBDHN NC(=O)c1ccc(CN(C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000508617158 503530512 /nfs/dbraw/zinc/53/05/12/503530512.db2.gz YCILSCQOLZDYSF-HYXAFXHYSA-N 0 3 351.406 3.372 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(CCN2CCOCC2)CC1 ZINC000512434626 503550029 /nfs/dbraw/zinc/55/00/29/503550029.db2.gz ZLXOJMOBBHMGGK-HWKANZROSA-N 0 3 359.470 3.042 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000494662290 503586779 /nfs/dbraw/zinc/58/67/79/503586779.db2.gz RTUCJZXGSXAMFJ-GOEBONIOSA-N 0 3 369.421 3.169 20 5 FGBDHN Cc1c(CC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000516802903 503590629 /nfs/dbraw/zinc/59/06/29/503590629.db2.gz HULOBQVZZATJDH-QGZVFWFLSA-N 0 3 359.401 3.004 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516828212 503594923 /nfs/dbraw/zinc/59/49/23/503594923.db2.gz IJBHWTWAXOGGOP-HZPDHXFCSA-N 0 3 355.438 3.335 20 5 FGBDHN COCC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000508994437 503615473 /nfs/dbraw/zinc/61/54/73/503615473.db2.gz HJWRLMJKYCMXHA-CZUORRHYSA-N 0 3 351.447 3.271 20 5 FGBDHN COCC(=O)Nc1cccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000527039007 503652856 /nfs/dbraw/zinc/65/28/56/503652856.db2.gz NYBDCHUKTCUYDM-DHDCSXOGSA-N 0 3 369.421 3.373 20 5 FGBDHN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)c2ccccc2)CC1 ZINC000517464066 503750239 /nfs/dbraw/zinc/75/02/39/503750239.db2.gz FRBIVYMWDDVNSR-LJQANCHMSA-N 0 3 370.453 3.136 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000517883612 503858126 /nfs/dbraw/zinc/85/81/26/503858126.db2.gz MZOQICBHWKETMC-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN COc1ccccc1OCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000543960470 503951731 /nfs/dbraw/zinc/95/17/31/503951731.db2.gz ZNCHFUGAUVAVJT-UHFFFAOYSA-N 0 3 353.378 3.373 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530475743 503979396 /nfs/dbraw/zinc/97/93/96/503979396.db2.gz WGMKVAJYQYRXIP-CQSZACIVSA-N 0 3 351.838 3.488 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000534329513 504111997 /nfs/dbraw/zinc/11/19/97/504111997.db2.gz AXXIODRBPGGSEW-GOEBONIOSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCN1CC(C)(C)O ZINC000547709030 504195542 /nfs/dbraw/zinc/19/55/42/504195542.db2.gz IZYDJGNRNRTSFA-AWEZNQCLSA-N 0 3 365.474 3.054 20 5 FGBDHN COc1cccc(N2C[C@H](NC/C=C/c3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000538395924 504234575 /nfs/dbraw/zinc/23/45/75/504234575.db2.gz JJLIWHSPZHIKLZ-BIENSFFJSA-N 0 3 367.405 3.012 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C(C)(C)C1(C)C ZINC000541740495 504239117 /nfs/dbraw/zinc/23/91/17/504239117.db2.gz IWMPGMAYCSFJME-LBPRGKRZSA-N 0 3 354.472 3.029 20 5 FGBDHN CN(C)CCOc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000544795895 504261508 /nfs/dbraw/zinc/26/15/08/504261508.db2.gz QFVOVVLWWUXKFC-UHFFFAOYSA-N 0 3 354.366 3.252 20 5 FGBDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869840 504265532 /nfs/dbraw/zinc/26/55/32/504265532.db2.gz WPMPSCWEAOZPLW-GFCCVEGCSA-N 0 3 369.343 3.468 20 5 FGBDHN CN(C)CCOc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000544953019 504311199 /nfs/dbraw/zinc/31/11/99/504311199.db2.gz ZKHCXJVJINEUHX-UHFFFAOYSA-N 0 3 354.366 3.252 20 5 FGBDHN COc1ccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542030468 504342622 /nfs/dbraw/zinc/34/26/22/504342622.db2.gz BHZLJPXURUNRBW-CQSZACIVSA-N 0 3 372.425 3.245 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000519821823 504353735 /nfs/dbraw/zinc/35/37/35/504353735.db2.gz QRXVVBOCLNETJY-HXUWFJFHSA-N 0 3 353.422 3.298 20 5 FGBDHN C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCc2ccccc2C1 ZINC000520031958 504401361 /nfs/dbraw/zinc/40/13/61/504401361.db2.gz USDDXUJGQUNHGB-OAHLLOKOSA-N 0 3 362.433 3.424 20 5 FGBDHN C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCc2ccccc2C1 ZINC000520031957 504401395 /nfs/dbraw/zinc/40/13/95/504401395.db2.gz USDDXUJGQUNHGB-HNNXBMFYSA-N 0 3 362.433 3.424 20 5 FGBDHN C[C@H](NC(=O)Nc1cccc(OCCN(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000539303253 504524175 /nfs/dbraw/zinc/52/41/75/504524175.db2.gz LIIKDSSWJVRYAC-AWEZNQCLSA-N 0 3 372.425 3.418 20 5 FGBDHN CC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000542527645 504526592 /nfs/dbraw/zinc/52/65/92/504526592.db2.gz WPTCKOFZTTVZKX-HNNXBMFYSA-N 0 3 373.457 3.323 20 5 FGBDHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363291 504542255 /nfs/dbraw/zinc/54/22/55/504542255.db2.gz JWKSWCRASDZGOH-WBVHZDCISA-N 0 3 368.437 3.079 20 5 FGBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccccc1 ZINC000536013040 504607349 /nfs/dbraw/zinc/60/73/49/504607349.db2.gz LQIVZQGLWWAKSO-INIZCTEOSA-N 0 3 368.437 3.064 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H]3CN(C4CC4)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321894 504610474 /nfs/dbraw/zinc/61/04/74/504610474.db2.gz VARRLEXYQOWKDY-FZKQIMNGSA-N 0 3 371.437 3.436 20 5 FGBDHN Cc1cn2c(n1)[C@@H](CNc1cc(C)nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000543051016 504704834 /nfs/dbraw/zinc/70/48/34/504704834.db2.gz PESWGSJLMLTQST-CQSZACIVSA-N 0 3 351.410 3.368 20 5 FGBDHN C[C@H](C(=O)N(C)CCCN(C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000565090104 504791398 /nfs/dbraw/zinc/79/13/98/504791398.db2.gz ZNERROOWXZBNAG-INIZCTEOSA-N 0 3 370.453 3.074 20 5 FGBDHN NC(=O)c1cccc(NCCN2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000553226667 504857493 /nfs/dbraw/zinc/85/74/93/504857493.db2.gz XTNYXBMIYDOQFV-UHFFFAOYSA-N 0 3 360.458 3.152 20 5 FGBDHN CC1(C)C[C@H](NC[C@H](O)COc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000559457193 504867639 /nfs/dbraw/zinc/86/76/39/504867639.db2.gz PGFVHZZLNUYFKP-KXBFYZLASA-N 0 3 356.422 3.347 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000556495817 504889394 /nfs/dbraw/zinc/88/93/94/504889394.db2.gz WHDOLUJKWOJFBA-FQEVSTJZSA-N 0 3 369.465 3.318 20 5 FGBDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553427532 504911863 /nfs/dbraw/zinc/91/18/63/504911863.db2.gz CZVFPDKWBBDAMQ-RCDCFZSISA-N 0 3 374.412 3.387 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000553435605 504914160 /nfs/dbraw/zinc/91/41/60/504914160.db2.gz JXOKZGVZRUNMSA-ACJLOTCBSA-N 0 3 373.457 3.422 20 5 FGBDHN Cc1ccc(Cl)c(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000566109770 505084519 /nfs/dbraw/zinc/08/45/19/505084519.db2.gz UIFCKWNOHXOLEN-OAHLLOKOSA-N 0 3 350.802 3.086 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000557273634 505102791 /nfs/dbraw/zinc/10/27/91/505102791.db2.gz QZEYKEGEMUKGDB-IXYNUQLISA-N 0 3 363.483 3.064 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)o1 ZINC000560627723 505149466 /nfs/dbraw/zinc/14/94/66/505149466.db2.gz LQAXCXDIROBMBA-UXHICEINSA-N 0 3 372.421 3.265 20 5 FGBDHN Cc1ccnc([C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000563726461 505222574 /nfs/dbraw/zinc/22/25/74/505222574.db2.gz OJLSKHYMEZYDOY-INIZCTEOSA-N 0 3 368.437 3.425 20 5 FGBDHN CC(C)N(Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563771597 505233051 /nfs/dbraw/zinc/23/30/51/505233051.db2.gz WXPIIYNWPGBEKV-QGZVFWFLSA-N 0 3 362.401 3.384 20 5 FGBDHN CN(C)Cc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000551707634 505288497 /nfs/dbraw/zinc/28/84/97/505288497.db2.gz VGTHWPADPNUCQH-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000564063521 505316081 /nfs/dbraw/zinc/31/60/81/505316081.db2.gz DUSIFTBFZBPHIO-CQSZACIVSA-N 0 3 351.410 3.470 20 5 FGBDHN COc1cc(NCc2ccccc2OCCN(C)C)c([N+](=O)[O-])cc1F ZINC000564138395 505335708 /nfs/dbraw/zinc/33/57/08/505335708.db2.gz VURUFCNMOLOYMC-UHFFFAOYSA-N 0 3 363.389 3.295 20 5 FGBDHN CC(C)(CO)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000558397509 505376639 /nfs/dbraw/zinc/37/66/39/505376639.db2.gz PFKIZPFFNWUDJH-INIZCTEOSA-N 0 3 350.440 3.385 20 5 FGBDHN CNCc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000564331024 505386481 /nfs/dbraw/zinc/38/64/81/505386481.db2.gz SVELJLBBLYZHRI-UHFFFAOYSA-N 0 3 368.437 3.169 20 5 FGBDHN CSc1ccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000555261863 505393827 /nfs/dbraw/zinc/39/38/27/505393827.db2.gz BCQRLHYVRZFWOM-MRXNPFEDSA-N 0 3 374.466 3.130 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000552091629 505395771 /nfs/dbraw/zinc/39/57/71/505395771.db2.gz UCXVYZDMWDJNAM-RVZJWNSFSA-N 0 3 363.458 3.337 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000564372166 505398262 /nfs/dbraw/zinc/39/82/62/505398262.db2.gz URNZFHNZJBCQFN-KRWDZBQOSA-N 0 3 373.457 3.377 20 5 FGBDHN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000555331553 505408915 /nfs/dbraw/zinc/40/89/15/505408915.db2.gz DCDCSIGRIQAQGO-FOIQADDNSA-N 0 3 371.437 3.171 20 5 FGBDHN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000552225745 505433323 /nfs/dbraw/zinc/43/33/23/505433323.db2.gz LRKNJVVZVKNKSW-GJYPPUQNSA-N 0 3 371.485 3.270 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000567539861 505493204 /nfs/dbraw/zinc/49/32/04/505493204.db2.gz UKNVBFASRRDDBQ-HNNXBMFYSA-N 0 3 357.458 3.220 20 5 FGBDHN Cc1c(CC(=O)NCCN2CC=C(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000552459718 505497487 /nfs/dbraw/zinc/49/74/87/505497487.db2.gz HWCQWQCOVXUQHH-UHFFFAOYSA-N 0 3 359.470 3.240 20 5 FGBDHN Cc1[nH]c2ccc(CNC[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc2c1C ZINC000567681310 505534450 /nfs/dbraw/zinc/53/44/50/505534450.db2.gz PEDZMZOJUBIHAT-QGZVFWFLSA-N 0 3 369.421 3.222 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCN2Cc2ccccc2)s1 ZINC000596558679 506459958 /nfs/dbraw/zinc/45/99/58/506459958.db2.gz TUERDIBDAQNKIN-ZDUSSCGKSA-N 0 3 355.423 3.286 20 5 FGBDHN CCC1(N2CCOCC2)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599670483 506568826 /nfs/dbraw/zinc/56/88/26/506568826.db2.gz WTPXSYRSIGVIQP-UHFFFAOYSA-N 0 3 367.877 3.325 20 5 FGBDHN CCO[C@@H]1C[C@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCC2 ZINC000589506607 506572346 /nfs/dbraw/zinc/57/23/46/506572346.db2.gz JEIOXUCKMSYUET-DLBZAZTESA-N 0 3 362.426 3.209 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCCN(CC2CCCCC2)CC1 ZINC000604187890 506742262 /nfs/dbraw/zinc/74/22/62/506742262.db2.gz MKKGXQOMMCSPDN-UHFFFAOYSA-N 0 3 351.472 3.385 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H]3CCN(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000609223474 506818841 /nfs/dbraw/zinc/81/88/41/506818841.db2.gz WKWXSIDVHCYXAG-ZDUSSCGKSA-N 0 3 357.410 3.190 20 5 FGBDHN C[C@H](O)[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597249139 506860724 /nfs/dbraw/zinc/86/07/24/506860724.db2.gz LJYOZGFZZINSFZ-IFXJQAMLSA-N 0 3 366.421 3.207 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc4cc(Cl)cnc4o3)CC2)n1 ZINC000590653727 506896585 /nfs/dbraw/zinc/89/65/85/506896585.db2.gz HURIZZCNPQAHCO-UHFFFAOYSA-N 0 3 361.789 3.423 20 5 FGBDHN CS(=O)(=O)c1cccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000590779424 506949664 /nfs/dbraw/zinc/94/96/64/506949664.db2.gz SVLCIMZCCSUTIP-SFHVURJKSA-N 0 3 374.462 3.109 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600469879 506962835 /nfs/dbraw/zinc/96/28/35/506962835.db2.gz LZOCYYJPGZEPMZ-ZDUSSCGKSA-N 0 3 371.359 3.360 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195285 506999000 /nfs/dbraw/zinc/99/90/00/506999000.db2.gz DPHADWAZXNMVFW-HUUCEWRRSA-N 0 3 371.359 3.360 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195713 506999014 /nfs/dbraw/zinc/99/90/14/506999014.db2.gz HQUFSSOVHRMTRI-HUUCEWRRSA-N 0 3 371.359 3.360 20 5 FGBDHN CC(C)O[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000613282233 507009594 /nfs/dbraw/zinc/00/95/94/507009594.db2.gz OFSBLGGADHDAKP-DLBZAZTESA-N 0 3 350.415 3.048 20 5 FGBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874244 507034183 /nfs/dbraw/zinc/03/41/83/507034183.db2.gz VWTLXIWOLBKGJM-MRXNPFEDSA-N 0 3 361.829 3.151 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594511089 507163463 /nfs/dbraw/zinc/16/34/63/507163463.db2.gz QXGVMYZWWOOVSV-LVQVYYBASA-N 0 3 365.474 3.142 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000610272155 507170593 /nfs/dbraw/zinc/17/05/93/507170593.db2.gz DVBXLQGNLHJXGK-IAGOWNOFSA-N 0 3 362.426 3.289 20 5 FGBDHN Cc1ccc2oc(CNC[C@H](O)COc3ccccc3[N+](=O)[O-])cc2c1 ZINC000594730093 507258094 /nfs/dbraw/zinc/25/80/94/507258094.db2.gz AVOHDLQMMYXYST-HNNXBMFYSA-N 0 3 356.378 3.179 20 5 FGBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000591458921 507258694 /nfs/dbraw/zinc/25/86/94/507258694.db2.gz IYIUDNGOWBONGE-MRXNPFEDSA-N 0 3 368.437 3.018 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)N1CCC(OC)CC1 ZINC000595018997 507357343 /nfs/dbraw/zinc/35/73/43/507357343.db2.gz PDKANEUEURBENI-CQSZACIVSA-N 0 3 365.474 3.143 20 5 FGBDHN COc1cc(CNCC(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])cc1OC ZINC000610717453 507362155 /nfs/dbraw/zinc/36/21/55/507362155.db2.gz SBDIKDZLJVCESV-QGZVFWFLSA-N 0 3 352.431 3.297 20 5 FGBDHN COc1cc(N2CC[C@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000610717197 507362434 /nfs/dbraw/zinc/36/24/34/507362434.db2.gz AIRXAGRGKUGGSY-HNNXBMFYSA-N 0 3 359.401 3.453 20 5 FGBDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000601620257 507404368 /nfs/dbraw/zinc/40/43/68/507404368.db2.gz IPKAOZLYCBSFPG-DLBZAZTESA-N 0 3 369.421 3.407 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601772004 507453432 /nfs/dbraw/zinc/45/34/32/507453432.db2.gz HSHUJCPGRGRALZ-UHFFFAOYSA-N 0 3 371.441 3.236 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3nsc4ccccc34)C2)nc1 ZINC000595374824 507475630 /nfs/dbraw/zinc/47/56/30/507475630.db2.gz LTVQWCFOXMJTQW-CYBMUJFWSA-N 0 3 369.450 3.328 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccccc2F)CCC1 ZINC000592145026 507506879 /nfs/dbraw/zinc/50/68/79/507506879.db2.gz SSYFJQXYSGNGDV-CQSZACIVSA-N 0 3 360.385 3.143 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592193290 507534369 /nfs/dbraw/zinc/53/43/69/507534369.db2.gz LRWMRFGQWHIRTJ-AWEZNQCLSA-N 0 3 361.442 3.265 20 5 FGBDHN O=[N+]([O-])c1cccnc1N1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000595523719 507543594 /nfs/dbraw/zinc/54/35/94/507543594.db2.gz LBPMBBYTORGYEU-KRWDZBQOSA-N 0 3 352.438 3.232 20 5 FGBDHN COc1ccc(CC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000592296068 507599234 /nfs/dbraw/zinc/59/92/34/507599234.db2.gz ZTHDPKJLWWFGRJ-QGZVFWFLSA-N 0 3 371.437 3.086 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595741794 507659530 /nfs/dbraw/zinc/65/95/30/507659530.db2.gz ZJQFWUYOCTVCFA-XHSDSOJGSA-N 0 3 362.426 3.027 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCC12CCN(C)CC2 ZINC000615208577 507778265 /nfs/dbraw/zinc/77/82/65/507778265.db2.gz DCVRKSVWJMYCKY-UHFFFAOYSA-N 0 3 351.834 3.257 20 5 FGBDHN COc1ccc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000136152944 704858913 /nfs/dbraw/zinc/85/89/13/704858913.db2.gz NXDWWROLLBGLHW-HNNXBMFYSA-N 0 3 354.765 3.219 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000152673532 704970552 /nfs/dbraw/zinc/97/05/52/704970552.db2.gz QYEGOCGSVBEWKZ-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000246337790 713621927 /nfs/dbraw/zinc/62/19/27/713621927.db2.gz UEWYPELNQYFEGC-SJLPKXTDSA-N 0 3 362.451 3.371 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522637344 714197434 /nfs/dbraw/zinc/19/74/34/714197434.db2.gz UNLDXSKKTAWAJX-UHFFFAOYSA-N 0 3 371.865 3.063 20 5 FGBDHN COC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC(C)CC1 ZINC000619432713 714835133 /nfs/dbraw/zinc/83/51/33/714835133.db2.gz HHMLREPYKXBXKT-UHFFFAOYSA-N 0 3 350.415 3.051 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000746821355 722619022 /nfs/dbraw/zinc/61/90/22/722619022.db2.gz HCIKJOFGSVVCLG-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000748820263 722705859 /nfs/dbraw/zinc/70/58/59/722705859.db2.gz SGNYHJSXAGLELO-ZDUSSCGKSA-N 0 3 352.793 3.328 20 5 FGBDHN CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1CCOC ZINC000761513552 723161511 /nfs/dbraw/zinc/16/15/11/723161511.db2.gz AAAUFDXUTIILGR-HNNXBMFYSA-N 0 3 355.866 3.181 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](N3CCCCC3)C2)cc1Cl ZINC000765500824 723517680 /nfs/dbraw/zinc/51/76/80/723517680.db2.gz PCCRHCUOTSRDFN-LBPRGKRZSA-N 0 3 367.833 3.099 20 5 FGBDHN COc1cc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000766925304 723598834 /nfs/dbraw/zinc/59/88/34/723598834.db2.gz IQSMMBGWWBAZPY-CYBMUJFWSA-N 0 3 351.428 3.388 20 5 FGBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801542015 724311781 /nfs/dbraw/zinc/31/17/81/724311781.db2.gz XGRUNYHSGRKBMZ-ZJUUUORDSA-N 0 3 359.220 3.035 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H](C)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000788962338 725099206 /nfs/dbraw/zinc/09/92/06/725099206.db2.gz ALSMAOKRVPCQCZ-GFCCVEGCSA-N 0 3 364.423 3.367 20 5 FGBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000807787601 725169509 /nfs/dbraw/zinc/16/95/09/725169509.db2.gz YSBFEAOBSXIQMH-INIZCTEOSA-N 0 3 365.792 3.420 20 5 FGBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000810665935 725321419 /nfs/dbraw/zinc/32/14/19/725321419.db2.gz GNGNLXOLIORQLU-KRWDZBQOSA-N 0 3 371.840 3.119 20 5 FGBDHN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102037 726838900 /nfs/dbraw/zinc/83/89/00/726838900.db2.gz ACFXPTMDCOURLS-SNVBAGLBSA-N 0 3 369.830 3.135 20 5 FGBDHN COc1ccc(-c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s2)c(F)c1 ZINC000813102102 726838906 /nfs/dbraw/zinc/83/89/06/726838906.db2.gz BEEUDAHWTAWFDG-MRVPVSSYSA-N 0 3 354.359 3.088 20 5 FGBDHN CC(COC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813106682 726839774 /nfs/dbraw/zinc/83/97/74/726839774.db2.gz FXLZEIPGRRKWFC-LBPRGKRZSA-N 0 3 357.391 3.423 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1F ZINC000832054268 729685856 /nfs/dbraw/zinc/68/58/56/729685856.db2.gz HTYHURMZZKDMTA-ZBFHGGJFSA-N 0 3 350.390 3.242 20 5 FGBDHN CC([C@H](OC(=O)/C=C\C1(C)CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876977 730905420 /nfs/dbraw/zinc/90/54/20/730905420.db2.gz CSNPNQKWWFNJCJ-XQSVNDDMSA-N 0 3 351.374 3.448 20 5 FGBDHN COc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nc1Cl ZINC000845881410 730905867 /nfs/dbraw/zinc/90/58/67/730905867.db2.gz ZOLLMJXSXYQTML-OTYXRUKQSA-N 0 3 368.748 3.446 20 5 FGBDHN Cc1nc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)s1 ZINC000845884350 730906026 /nfs/dbraw/zinc/90/60/26/730906026.db2.gz XZABSOVISTWKPL-JDNHERCYSA-N 0 3 352.387 3.391 20 5 FGBDHN CC([C@H](OC(=O)CCC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845882616 730906141 /nfs/dbraw/zinc/90/61/41/730906141.db2.gz OZZVZHQXPAZGGB-BZNIZROVSA-N 0 3 355.362 3.197 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000862630595 732858303 /nfs/dbraw/zinc/85/83/03/732858303.db2.gz ZZGQJFARLPOSTE-LBPRGKRZSA-N 0 3 353.369 3.010 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000862631239 732859105 /nfs/dbraw/zinc/85/91/05/732859105.db2.gz MKCHBWKFMXNUNX-CQSZACIVSA-N 0 3 351.834 3.385 20 5 FGBDHN COC1CCN(C(C)(C)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872036654 735580149 /nfs/dbraw/zinc/58/01/49/735580149.db2.gz UODZLUNAXYXJCK-ZDUSSCGKSA-N 0 3 353.438 3.274 20 5 FGBDHN CCOc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000108919655 209294662 /nfs/dbraw/zinc/29/46/62/209294662.db2.gz FECFNCRWNLXSHT-SOUVJXGZSA-N 0 3 363.458 3.090 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1cccnc1)C1CC1 ZINC000540150150 503690433 /nfs/dbraw/zinc/69/04/33/503690433.db2.gz BYJLDJGLDSUUCH-YJYMSZOUSA-N 0 3 354.410 3.448 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000573590352 505573644 /nfs/dbraw/zinc/57/36/44/505573644.db2.gz MEZUIDWCWOVPMI-LAUBAEHRSA-N 0 3 370.449 3.445 20 5 FGBDHN Cc1cccc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000576720362 505578079 /nfs/dbraw/zinc/57/80/79/505578079.db2.gz SPANWIMWRSBEEJ-GOSISDBHSA-N 0 3 354.410 3.464 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000573934586 505655456 /nfs/dbraw/zinc/65/54/56/505655456.db2.gz ZRFVJAKQPUEAJE-AUUYWEPGSA-N 0 3 351.406 3.257 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000080767777 493775896 /nfs/dbraw/zinc/77/58/96/493775896.db2.gz HEIUQQRHLDOQLI-UHFFFAOYSA-N 0 3 370.409 3.196 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1 ZINC000068385628 493807976 /nfs/dbraw/zinc/80/79/76/493807976.db2.gz XYENDAZLOMXJIJ-AWEZNQCLSA-N 0 3 371.437 3.463 20 5 FGBDHN Cc1c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000029177499 493823287 /nfs/dbraw/zinc/82/32/87/493823287.db2.gz UKHBLYGLSBCHNR-GOSISDBHSA-N 0 3 353.422 3.470 20 5 FGBDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069085452 493918957 /nfs/dbraw/zinc/91/89/57/493918957.db2.gz XEVGNHJCPAECEP-LPHOPBHVSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050579605 493922024 /nfs/dbraw/zinc/92/20/24/493922024.db2.gz DZZKCOKYPDFUAM-ZDUSSCGKSA-N 0 3 374.466 3.323 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000060369961 493927919 /nfs/dbraw/zinc/92/79/19/493927919.db2.gz HAJTXUKHENUREP-QGZVFWFLSA-N 0 3 368.437 3.418 20 5 FGBDHN CCN(CC)Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000031538437 493946577 /nfs/dbraw/zinc/94/65/77/493946577.db2.gz PCROGYRUHMAOAI-UHFFFAOYSA-N 0 3 357.410 3.454 20 5 FGBDHN CC(C)(CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000061499373 493980539 /nfs/dbraw/zinc/98/05/39/493980539.db2.gz PPESUOXQACCKGM-UHFFFAOYSA-N 0 3 362.474 3.168 20 5 FGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000052102495 494004863 /nfs/dbraw/zinc/00/48/63/494004863.db2.gz DYADMKLOJXXMPO-UHFFFAOYSA-N 0 3 355.438 3.106 20 5 FGBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052314970 494017748 /nfs/dbraw/zinc/01/77/48/494017748.db2.gz JSNIPJAMUNXWQZ-MRXNPFEDSA-N 0 3 369.421 3.324 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038856292 494118956 /nfs/dbraw/zinc/11/89/56/494118956.db2.gz MYGOIQZCVLGTSC-INIZCTEOSA-N 0 3 369.421 3.454 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000054059891 494190779 /nfs/dbraw/zinc/19/07/79/494190779.db2.gz QZIBIZQJKQSXMM-GOSISDBHSA-N 0 3 359.401 3.329 20 5 FGBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000065420858 494195536 /nfs/dbraw/zinc/19/55/36/494195536.db2.gz HVGPNHYKJCGNNV-CQSZACIVSA-N 0 3 365.499 3.314 20 5 FGBDHN CNc1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054226888 494209755 /nfs/dbraw/zinc/20/97/55/494209755.db2.gz SSYSOJFQZPJLJB-PBHICJAKSA-N 0 3 368.437 3.202 20 5 FGBDHN Cc1sc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000580234530 505709785 /nfs/dbraw/zinc/70/97/85/505709785.db2.gz UDKWRHMQWPLJFG-ZDUSSCGKSA-N 0 3 351.403 3.137 20 5 FGBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000065931633 494257768 /nfs/dbraw/zinc/25/77/68/494257768.db2.gz NLKKUECUVOIPLW-UHFFFAOYSA-N 0 3 365.430 3.308 20 5 FGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000065939905 494259941 /nfs/dbraw/zinc/25/99/41/494259941.db2.gz DLUZBWNDVQPTMP-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN COC(=O)[C@@H](C)[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000089140985 494268830 /nfs/dbraw/zinc/26/88/30/494268830.db2.gz NCVNBDDZHONGLG-KSSFIOAISA-N 0 3 358.394 3.114 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000043976696 494332135 /nfs/dbraw/zinc/33/21/35/494332135.db2.gz HAXWZGLFDXXBAI-UHFFFAOYSA-N 0 3 368.437 3.161 20 5 FGBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055748353 494400856 /nfs/dbraw/zinc/40/08/56/494400856.db2.gz IQOPPFMLRDXKET-FRRDWIJNSA-N 0 3 353.850 3.344 20 5 FGBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090070978 494436772 /nfs/dbraw/zinc/43/67/72/494436772.db2.gz GSNIXMYVGKCPTK-UHFFFAOYSA-N 0 3 369.469 3.096 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000073954815 494456248 /nfs/dbraw/zinc/45/62/48/494456248.db2.gz HYFHHQGMBKRSBP-UHFFFAOYSA-N 0 3 353.422 3.032 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067066364 494468219 /nfs/dbraw/zinc/46/82/19/494468219.db2.gz YFIZVJOXCVAGHD-UHFFFAOYSA-N 0 3 370.453 3.388 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000090539215 494479474 /nfs/dbraw/zinc/47/94/74/494479474.db2.gz HEZWYDGGTXRCPA-VIFPVBQESA-N 0 3 357.183 3.044 20 5 FGBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056331976 494486915 /nfs/dbraw/zinc/48/69/15/494486915.db2.gz GHOVQCAUHLPALB-SFHVURJKSA-N 0 3 370.453 3.126 20 5 FGBDHN CC(C)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000074139387 494487497 /nfs/dbraw/zinc/48/74/97/494487497.db2.gz COCCJDUPYULRAT-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN COc1cc(CNCC2(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000080246391 494649675 /nfs/dbraw/zinc/64/96/75/494649675.db2.gz KCQJLNWNIVXJAX-UHFFFAOYSA-N 0 3 372.421 3.045 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccccn1 ZINC000091701732 494650851 /nfs/dbraw/zinc/65/08/51/494650851.db2.gz FPSFAPADQCSCRU-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000057174172 494667733 /nfs/dbraw/zinc/66/77/33/494667733.db2.gz UDKSMYCOCYTXJZ-UHFFFAOYSA-N 0 3 353.422 3.123 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000126368050 494726015 /nfs/dbraw/zinc/72/60/15/494726015.db2.gz WMYJZBPIDGKGLE-GFCCVEGCSA-N 0 3 371.224 3.251 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](c1cccs1)N1CCOCC1 ZINC000571460918 505738200 /nfs/dbraw/zinc/73/82/00/505738200.db2.gz DBOLPNKKGQVIDG-AEFFLSMTSA-N 0 3 373.478 3.307 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1CN1CCCCC1 ZINC000068133953 494774921 /nfs/dbraw/zinc/77/49/21/494774921.db2.gz PUQYDEDTEMWFDU-AWEZNQCLSA-N 0 3 351.834 3.339 20 5 FGBDHN Cc1sc(C(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000108818487 494791322 /nfs/dbraw/zinc/79/13/22/494791322.db2.gz TYRHINPFVWCTAT-VXGBXAGGSA-N 0 3 353.488 3.451 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]2CN2CCOCC2)o1 ZINC000092218129 494811641 /nfs/dbraw/zinc/81/16/41/494811641.db2.gz HAVNSKLLPUPMAO-MRXNPFEDSA-N 0 3 371.437 3.151 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000126686363 494819698 /nfs/dbraw/zinc/81/96/98/494819698.db2.gz LPPYMJIVXZERJF-LJQANCHMSA-N 0 3 373.428 3.476 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116726302 494844293 /nfs/dbraw/zinc/84/42/93/494844293.db2.gz YYTYZWJDZFIEJA-ZDUSSCGKSA-N 0 3 369.849 3.008 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000027087089 494852007 /nfs/dbraw/zinc/85/20/07/494852007.db2.gz IBDNCUBPVZAGTK-LJQANCHMSA-N 0 3 355.438 3.337 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000117335820 494911702 /nfs/dbraw/zinc/91/17/02/494911702.db2.gz UVZWIHKZOOUVQM-OAHLLOKOSA-N 0 3 356.382 3.058 20 5 FGBDHN CCc1nn(C)c(NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000094151982 494954830 /nfs/dbraw/zinc/95/48/30/494954830.db2.gz RHKBSWGJRGJOMF-ZDUSSCGKSA-N 0 3 363.487 3.276 20 5 FGBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000122373233 494965177 /nfs/dbraw/zinc/96/51/77/494965177.db2.gz DEJZBKZFUCGGLX-GFCCVEGCSA-N 0 3 372.263 3.063 20 5 FGBDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226989 495050209 /nfs/dbraw/zinc/05/02/09/495050209.db2.gz AMACCMPVBFWURO-NWDGAFQWSA-N 0 3 363.414 3.161 20 5 FGBDHN C[C@H](Cn1cncn1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101595813 495082804 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352.316 3.308 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495580 497567556 /nfs/dbraw/zinc/56/75/56/497567556.db2.gz XBLSLESDXTYZPV-VQIMIIECSA-N 0 3 367.449 3.164 20 5 FGBDHN C[C@@H]1C[C@@H]1[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000245917928 497571621 /nfs/dbraw/zinc/57/16/21/497571621.db2.gz QHUDBUAQXSQACQ-PUECVXPYSA-N 0 3 361.829 3.397 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000267577741 497580916 /nfs/dbraw/zinc/58/09/16/497580916.db2.gz BJFUOPVDUBNLNW-DOTOQJQBSA-N 0 3 360.458 3.234 20 5 FGBDHN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000272579527 497668777 /nfs/dbraw/zinc/66/87/77/497668777.db2.gz XTTNGUWYRWKDOJ-JTDSTZFVSA-N 0 3 371.485 3.128 20 5 FGBDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277041438 497724418 /nfs/dbraw/zinc/72/44/18/497724418.db2.gz TZNBLRNHDQYNBF-COLVAYQJSA-N 0 3 355.822 3.122 20 5 FGBDHN 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0 3 371.462 3.319 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295563558 499052301 /nfs/dbraw/zinc/05/23/01/499052301.db2.gz JYCAJHBRKDKIMO-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000367422833 499197242 /nfs/dbraw/zinc/19/72/42/499197242.db2.gz NORREVLVYWJCKI-HNAYVOBHSA-N 0 3 358.394 3.283 20 5 FGBDHN Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000370223165 499198960 /nfs/dbraw/zinc/19/89/60/499198960.db2.gz APQOUOOFCXWGAF-QGZVFWFLSA-N 0 3 373.457 3.081 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@](O)(c3ccccc3)CC2)c1 ZINC000367701455 499226488 /nfs/dbraw/zinc/22/64/88/499226488.db2.gz KWPAZONQFSDRMM-UXHICEINSA-N 0 3 356.422 3.002 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000370582175 499233365 /nfs/dbraw/zinc/23/33/65/499233365.db2.gz IISGOJJSIXITGQ-WBVHZDCISA-N 0 3 368.437 3.115 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2nnc3n2CCC3)CC1 ZINC000368043297 499258989 /nfs/dbraw/zinc/25/89/89/499258989.db2.gz MJUCFUGZKSEFPU-AWEZNQCLSA-N 0 3 355.442 3.382 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000368285876 499281756 /nfs/dbraw/zinc/28/17/56/499281756.db2.gz RCOJQSFBLVXABJ-SFHVURJKSA-N 0 3 357.454 3.128 20 5 FGBDHN Cc1c([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000371379888 499317668 /nfs/dbraw/zinc/31/76/68/499317668.db2.gz RSCZGPSURXCTAJ-GOSISDBHSA-N 0 3 371.441 3.111 20 5 FGBDHN CN1CC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369567173 499418834 /nfs/dbraw/zinc/41/88/34/499418834.db2.gz GXALLRVSEKLFPQ-YUNHCNHMSA-N 0 3 371.462 3.479 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OC(F)F)cc3)CC2)n1 ZINC000369693820 499437204 /nfs/dbraw/zinc/43/72/04/499437204.db2.gz VPMBAPIFFCSTNE-UHFFFAOYSA-N 0 3 352.341 3.230 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495883 499564136 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499811092 /nfs/dbraw/zinc/81/10/92/499811092.db2.gz YUQWPXNYSTVETE-SFHVURJKSA-N 0 3 365.433 3.463 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412417455 499852881 /nfs/dbraw/zinc/85/28/81/499852881.db2.gz MPHRXCHTPFEFPK-ZWKOTPCHSA-N 0 3 373.478 3.350 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415765828 499917708 /nfs/dbraw/zinc/91/77/08/499917708.db2.gz RLZXIUXKCFNRIH-GOSISDBHSA-N 0 3 354.410 3.166 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC000429151745 500013844 /nfs/dbraw/zinc/01/38/44/500013844.db2.gz TZZIATLAMPFRGD-AWEZNQCLSA-N 0 3 352.847 3.311 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC000429330847 500053928 /nfs/dbraw/zinc/05/39/28/500053928.db2.gz DIFOPSHQCXNKCK-IAGOWNOFSA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413900507 500090729 /nfs/dbraw/zinc/09/07/29/500090729.db2.gz KVBYKCIWQCNIAK-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425432351 500104522 /nfs/dbraw/zinc/10/45/22/500104522.db2.gz IAWVYFPPCYJCAT-ABAIWWIYSA-N 0 3 357.248 3.340 20 5 FGBDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440741 500106516 /nfs/dbraw/zinc/10/65/16/500106516.db2.gz HDTPUZSIAVETMD-BXUZGUMPSA-N 0 3 357.248 3.340 20 5 FGBDHN CN(CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000429822135 500150451 /nfs/dbraw/zinc/15/04/51/500150451.db2.gz QJSRKMSZQNJDEN-UHFFFAOYSA-N 0 3 355.438 3.121 20 5 FGBDHN CC[C@H](O)CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000422086771 500212889 /nfs/dbraw/zinc/21/28/89/500212889.db2.gz PCOKNLUXADBNPS-INIZCTEOSA-N 0 3 360.410 3.043 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000431012333 500322815 /nfs/dbraw/zinc/32/28/15/500322815.db2.gz ATYLOTLEEZVDIS-UHFFFAOYSA-N 0 3 355.438 3.250 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000423949667 500422994 /nfs/dbraw/zinc/42/29/94/500422994.db2.gz XRKRPHXXIQJQGL-QGZVFWFLSA-N 0 3 361.829 3.169 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000423969519 500426383 /nfs/dbraw/zinc/42/63/83/500426383.db2.gz DZZZFQIGVXRVMB-SFHVURJKSA-N 0 3 355.438 3.251 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423983370 500429722 /nfs/dbraw/zinc/42/97/22/500429722.db2.gz SWYRBVOESXTMKX-KRWDZBQOSA-N 0 3 368.437 3.161 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000428534372 500521672 /nfs/dbraw/zinc/52/16/72/500521672.db2.gz IHIPMMPNOCHJKP-QUCCMNQESA-N 0 3 374.412 3.388 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420992659 500549861 /nfs/dbraw/zinc/54/98/61/500549861.db2.gz LAVGLTODLKAMKY-CABCVRRESA-N 0 3 366.364 3.321 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437190238 500612559 /nfs/dbraw/zinc/61/25/59/500612559.db2.gz XIBZZIYFNGJMKH-LLVKDONJSA-N 0 3 359.348 3.075 20 5 FGBDHN CC1=CCC[C@H](C)[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000443653460 500750142 /nfs/dbraw/zinc/75/01/42/500750142.db2.gz HHEHUUNCFDHEAT-QFBILLFUSA-N 0 3 357.454 3.345 20 5 FGBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000438286853 500763411 /nfs/dbraw/zinc/76/34/11/500763411.db2.gz VAWFCHRZOKVUAT-HNNXBMFYSA-N 0 3 373.453 3.132 20 5 FGBDHN O=C(NCCN1CCCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448677749 500800669 /nfs/dbraw/zinc/80/06/69/500800669.db2.gz OBVIMDNFQWTJTE-UHFFFAOYSA-N 0 3 359.348 3.219 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000439129620 500860602 /nfs/dbraw/zinc/86/06/02/500860602.db2.gz RCHGBHWROBOBEY-UGSOOPFHSA-N 0 3 356.426 3.058 20 5 FGBDHN CSc1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444610090 500866459 /nfs/dbraw/zinc/86/64/59/500866459.db2.gz PILFJMZVXLYUMN-UHFFFAOYSA-N 0 3 351.472 3.169 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000444616090 500867636 /nfs/dbraw/zinc/86/76/36/500867636.db2.gz BVMFQXHDKNGFJA-UHFFFAOYSA-N 0 3 373.375 3.465 20 5 FGBDHN Cc1ccc([C@]2(C)CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000434743825 500887421 /nfs/dbraw/zinc/88/74/21/500887421.db2.gz BYXUXQLNGIQNPS-TZIWHRDSSA-N 0 3 370.449 3.307 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Br ZINC000602579310 506223451 /nfs/dbraw/zinc/22/34/51/506223451.db2.gz JFWZTNWMSBZDOK-WCQGTBRESA-N 0 3 373.272 3.466 20 5 FGBDHN COc1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000449089606 500922503 /nfs/dbraw/zinc/92/25/03/500922503.db2.gz KURGCCGSDUCPTC-ZDUSSCGKSA-N 0 3 360.410 3.341 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000449287223 500967184 /nfs/dbraw/zinc/96/71/84/500967184.db2.gz WIPSKHZDOLAHGM-KDOFPFPSSA-N 0 3 371.412 3.056 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000449295317 500969621 /nfs/dbraw/zinc/96/96/21/500969621.db2.gz RIGXROKTHPJXIO-CABCVRRESA-N 0 3 353.422 3.046 20 5 FGBDHN COc1cc(OC)c(C[C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449466668 501009402 /nfs/dbraw/zinc/00/94/02/501009402.db2.gz HXTTZJTZHYBQJG-ZDUSSCGKSA-N 0 3 360.410 3.341 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H](C)Cc3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000449581721 501037780 /nfs/dbraw/zinc/03/77/80/501037780.db2.gz BSAVOKPMHGEZFQ-CYBMUJFWSA-N 0 3 370.409 3.318 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000446102872 501075297 /nfs/dbraw/zinc/07/52/97/501075297.db2.gz KULJLLSKLNUDLR-RDJZCZTQSA-N 0 3 353.422 3.469 20 5 FGBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1(C)C ZINC000436376458 501116681 /nfs/dbraw/zinc/11/66/81/501116681.db2.gz HSQJGZCRFLGBIP-IEBWSBKVSA-N 0 3 350.459 3.374 20 5 FGBDHN COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])nc3)CCN2C2CC2)c1 ZINC000450426015 501119543 /nfs/dbraw/zinc/11/95/43/501119543.db2.gz BMSXAYSNEMYRAH-HKUYNNGSSA-N 0 3 354.410 3.388 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436398480 501120025 /nfs/dbraw/zinc/12/00/25/501120025.db2.gz VAYIZMMQPUWTFV-UHFFFAOYSA-N 0 3 367.453 3.311 20 5 FGBDHN CC(C)[C@@H](O)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596064910 506238123 /nfs/dbraw/zinc/23/81/23/506238123.db2.gz CIPQWOUSEVHLFI-WOJBJXKFSA-N 0 3 371.437 3.271 20 5 FGBDHN O=C(CCN1CCC(F)(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000450931299 501231669 /nfs/dbraw/zinc/23/16/69/501231669.db2.gz OZYNXCGLECJZEA-UHFFFAOYSA-N 0 3 372.400 3.279 20 5 FGBDHN CN(C)C1(CN(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000451015663 501239154 /nfs/dbraw/zinc/23/91/54/501239154.db2.gz OXNCHSMADPOSSI-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN Cc1c([C@H](C)NCCc2cnc3c(Cl)cnn3c2)cccc1[N+](=O)[O-] ZINC000453218594 501292982 /nfs/dbraw/zinc/29/29/82/501292982.db2.gz KKOHIZFGWILTFQ-LBPRGKRZSA-N 0 3 359.817 3.493 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCCCN2CCO)c2ccccc2)c1 ZINC000453270382 501303736 /nfs/dbraw/zinc/30/37/36/501303736.db2.gz SKNNAKXXIBHJGA-SFTDATJTSA-N 0 3 369.465 3.121 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COc3ccccc3)C2)cc1 ZINC000451557837 501324131 /nfs/dbraw/zinc/32/41/31/501324131.db2.gz FKXRPMGOEZOVCE-HKUYNNGSSA-N 0 3 356.422 3.214 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CNC1(Cc2ccccc2)CCOCC1 ZINC000451937452 501404486 /nfs/dbraw/zinc/40/44/86/501404486.db2.gz HJFOHLQUCWQVGC-UHFFFAOYSA-N 0 3 356.422 3.485 20 5 FGBDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665363 506251259 /nfs/dbraw/zinc/25/12/59/506251259.db2.gz HPNIKMNRGAPOJO-LBPRGKRZSA-N 0 3 354.332 3.337 20 5 FGBDHN CC(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(C)(C)C1 ZINC000452100256 501435169 /nfs/dbraw/zinc/43/51/69/501435169.db2.gz DMAJYXMCYYBSGR-UHFFFAOYSA-N 0 3 363.414 3.161 20 5 FGBDHN Cc1cc(CNCCc2cccc([N+](=O)[O-])c2)ncc1Br ZINC000598977067 506256695 /nfs/dbraw/zinc/25/66/95/506256695.db2.gz FXJQPOITFOCWNE-UHFFFAOYSA-N 0 3 350.216 3.393 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H](c3ccccc3)N3CCCC3)c2c1 ZINC000611700072 506262755 /nfs/dbraw/zinc/26/27/55/506262755.db2.gz MFZATNZAQJWPRT-LJQANCHMSA-N 0 3 363.421 3.209 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000454651928 501601931 /nfs/dbraw/zinc/60/19/31/501601931.db2.gz HBMQJJYAEXHTRN-HYVNUMGLSA-N 0 3 372.469 3.109 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457122661 501654478 /nfs/dbraw/zinc/65/44/78/501654478.db2.gz OWSRPJDAPRDFIU-HNNXBMFYSA-N 0 3 374.466 3.273 20 5 FGBDHN COc1ccc(CN2CC[C@H]2CNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000598994203 506268256 /nfs/dbraw/zinc/26/82/56/506268256.db2.gz YIPZENHFNMBNOX-KRWDZBQOSA-N 0 3 359.401 3.107 20 5 FGBDHN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H](c1ccccc1)N(C)C ZINC000474178443 501732023 /nfs/dbraw/zinc/73/20/23/501732023.db2.gz PVQTXAIDFGPFTI-YJYMSZOUSA-N 0 3 366.421 3.497 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218177 501741046 /nfs/dbraw/zinc/74/10/46/501741046.db2.gz NWXQIFPFOYHEEG-OLZOCXBDSA-N 0 3 368.865 3.168 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCC[C@@H]1C ZINC000485192777 501751554 /nfs/dbraw/zinc/75/15/54/501751554.db2.gz BLIITVWCLORTOM-RYUDHWBXSA-N 0 3 371.384 3.189 20 5 FGBDHN CC(=O)NCCc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000477749668 501776892 /nfs/dbraw/zinc/77/68/92/501776892.db2.gz MCQBBWJXOZWVPP-HNNXBMFYSA-N 0 3 355.438 3.433 20 5 FGBDHN C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000467441266 501795668 /nfs/dbraw/zinc/79/56/68/501795668.db2.gz DFGABOVACLXTGU-QMTMVMCOSA-N 0 3 353.422 3.435 20 5 FGBDHN CN1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000481791635 501884819 /nfs/dbraw/zinc/88/48/19/501884819.db2.gz FWURHZGGIXVLNM-SJLPKXTDSA-N 0 3 373.840 3.005 20 5 FGBDHN Nc1ccc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)nc1[N+](=O)[O-] ZINC000596150516 506281404 /nfs/dbraw/zinc/28/14/04/506281404.db2.gz CJQMOBNINNRKQA-FQEVSTJZSA-N 0 3 367.453 3.065 20 5 FGBDHN COC(=O)c1cc(NCCN(C)Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000474780603 501951096 /nfs/dbraw/zinc/95/10/96/501951096.db2.gz QEKPIUJNIMQBJY-UHFFFAOYSA-N 0 3 357.410 3.234 20 5 FGBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592874567 506286161 /nfs/dbraw/zinc/28/61/61/506286161.db2.gz TVKHIBSPVKQTQV-INIZCTEOSA-N 0 3 356.426 3.048 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000478644680 502042985 /nfs/dbraw/zinc/04/29/85/502042985.db2.gz UJYCHVKFYBXASO-ZNMIVQPWSA-N 0 3 365.499 3.455 20 5 FGBDHN COc1cc(CN2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000464681005 502062956 /nfs/dbraw/zinc/06/29/56/502062956.db2.gz YUVCIIMUAJFIPG-UHFFFAOYSA-N 0 3 351.422 3.193 20 5 FGBDHN Cn1nc([N+](=O)[O-])cc1-c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000478716274 502067571 /nfs/dbraw/zinc/06/75/71/502067571.db2.gz VGQVPOQLHUHKMQ-UHFFFAOYSA-N 0 3 368.397 3.031 20 5 FGBDHN COC(=O)c1cc(OCCN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000468509367 502085319 /nfs/dbraw/zinc/08/53/19/502085319.db2.gz DHUNSIGOKMZVMB-UHFFFAOYSA-N 0 3 362.357 3.031 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCN1CCc2ccccc2C1=O ZINC000468612373 502125479 /nfs/dbraw/zinc/12/54/79/502125479.db2.gz ZBLGLCPMUKUHME-SSZFMOIBSA-N 0 3 365.433 3.286 20 5 FGBDHN COc1cc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000468627302 502130605 /nfs/dbraw/zinc/13/06/05/502130605.db2.gz DOKWEORXZURMEC-GDNBJRDFSA-N 0 3 372.421 3.168 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](O)COc1ccc(F)cc1 ZINC000468629588 502130741 /nfs/dbraw/zinc/13/07/41/502130741.db2.gz FMYXZRFTLQSAGS-MXHVWWQHSA-N 0 3 360.385 3.167 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(S(C)(=O)=O)cc1 ZINC000468641141 502133876 /nfs/dbraw/zinc/13/38/76/502133876.db2.gz CVRUUGNKBIOYMV-UVTDQMKNSA-N 0 3 360.435 3.191 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(CS(C)(=O)=O)c1 ZINC000468644012 502134849 /nfs/dbraw/zinc/13/48/49/502134849.db2.gz WSDZFBORGLHEOX-OQLLNIDSSA-N 0 3 374.462 3.333 20 5 FGBDHN COc1ccc(NC(=O)CCN2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479108081 502165392 /nfs/dbraw/zinc/16/53/92/502165392.db2.gz VAZIFXCHMXXTQG-INIZCTEOSA-N 0 3 369.421 3.249 20 5 FGBDHN COC[C@H](CO)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000475507634 502195984 /nfs/dbraw/zinc/19/59/84/502195984.db2.gz HCHXFMARRCXCGR-AWEZNQCLSA-N 0 3 366.801 3.137 20 5 FGBDHN CN(C)Cc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000482910700 502214054 /nfs/dbraw/zinc/21/40/54/502214054.db2.gz JJPJLOFWNXOPIJ-UHFFFAOYSA-N 0 3 361.829 3.282 20 5 FGBDHN COc1cnccc1N1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000475621531 502232804 /nfs/dbraw/zinc/23/28/04/502232804.db2.gz UPEFDOLPJARKLL-UHFFFAOYSA-N 0 3 370.453 3.444 20 5 FGBDHN COc1cnccc1N1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000475630064 502235706 /nfs/dbraw/zinc/23/57/06/502235706.db2.gz XOMYZXYIZQIFLG-VBKFSLOCSA-N 0 3 368.437 3.224 20 5 FGBDHN COc1cnccc1N1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000483213483 502315382 /nfs/dbraw/zinc/31/53/82/502315382.db2.gz VHYYYISVKXBMHR-OAHLLOKOSA-N 0 3 356.426 3.190 20 5 FGBDHN CC[C@@H]1CN(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000487173781 502380343 /nfs/dbraw/zinc/38/03/43/502380343.db2.gz QVFZURQLFPNUIT-OAHLLOKOSA-N 0 3 359.426 3.055 20 5 FGBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000472678549 502416970 /nfs/dbraw/zinc/41/69/70/502416970.db2.gz NAFGRWGBDITMAY-HNNXBMFYSA-N 0 3 364.490 3.210 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075047 506312041 /nfs/dbraw/zinc/31/20/41/506312041.db2.gz RHTPJJHNMUKZOE-FZKQIMNGSA-N 0 3 369.421 3.471 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCCc2cc(Cl)c3c(c2)OCCO3)c(F)c1 ZINC000479947804 502427436 /nfs/dbraw/zinc/42/74/36/502427436.db2.gz JLGANGODHBILKZ-UHFFFAOYSA-N 0 3 366.776 3.491 20 5 FGBDHN CN1CCN(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1(C)C ZINC000596222364 506317247 /nfs/dbraw/zinc/31/72/47/506317247.db2.gz KKTPSVJIEIAEKQ-UHFFFAOYSA-N 0 3 360.380 3.052 20 5 FGBDHN Cc1noc([C@@H]2OCC[C@@H]2N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000599091840 506319924 /nfs/dbraw/zinc/31/99/24/506319924.db2.gz GLWRZTYLMVIMDD-HRCADAONSA-N 0 3 358.398 3.128 20 5 FGBDHN CN1CCC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000484231273 502603719 /nfs/dbraw/zinc/60/37/19/502603719.db2.gz NQUGBYROZQAQMO-UHFFFAOYSA-N 0 3 371.359 3.314 20 5 FGBDHN COc1cccc([C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])N(C)C)c1 ZINC000473509074 502615497 /nfs/dbraw/zinc/61/54/97/502615497.db2.gz BRQRAWAUBIJASV-LJQANCHMSA-N 0 3 366.421 3.288 20 5 FGBDHN COc1cc(C[C@H](CO)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000484472621 502648379 /nfs/dbraw/zinc/64/83/79/502648379.db2.gz LBWAMJUZVQXXRI-ZBFHGGJFSA-N 0 3 374.437 3.114 20 5 FGBDHN COc1ccc([C@@H](C)N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484562862 502670386 /nfs/dbraw/zinc/67/03/86/502670386.db2.gz BMFXLELELIMJJV-PBHICJAKSA-N 0 3 360.410 3.036 20 5 FGBDHN COc1cccc([C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])N(C)C)c1 ZINC000582616055 506327563 /nfs/dbraw/zinc/32/75/63/506327563.db2.gz JKXHBPLHSRNQTD-AZUAARDMSA-N 0 3 355.438 3.483 20 5 FGBDHN COC(=O)Cc1ccc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126450 506333219 /nfs/dbraw/zinc/33/32/19/506333219.db2.gz HFPIUCWUNPZXTL-MRXNPFEDSA-N 0 3 361.442 3.129 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463443419 502806325 /nfs/dbraw/zinc/80/63/25/502806325.db2.gz OHNXYABNTPUSMM-OAQYLSRUSA-N 0 3 370.449 3.291 20 5 FGBDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000488860333 502826583 /nfs/dbraw/zinc/82/65/83/502826583.db2.gz MHLDACUCTLENAG-UHFFFAOYSA-N 0 3 368.437 3.378 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888816 506340242 /nfs/dbraw/zinc/34/02/42/506340242.db2.gz RRMOLRLYBAQWAC-MRXNPFEDSA-N 0 3 364.405 3.406 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CCN2CCOCC2)CC1 ZINC000489226794 502905348 /nfs/dbraw/zinc/90/53/48/502905348.db2.gz RQUZIADLQSZDSP-QGZVFWFLSA-N 0 3 361.486 3.399 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000593020306 506340827 /nfs/dbraw/zinc/34/08/27/506340827.db2.gz GGACHUDGSLIEAX-SFHVURJKSA-N 0 3 354.406 3.492 20 5 FGBDHN Cc1cc(OCC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000505609131 502949687 /nfs/dbraw/zinc/94/96/87/502949687.db2.gz KGSWCELNNVHCDJ-FOIQADDNSA-N 0 3 371.437 3.090 20 5 FGBDHN CCN1C[C@H](C)N(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000497535060 502982259 /nfs/dbraw/zinc/98/22/59/502982259.db2.gz SZUDDBMKIPELTO-CABCVRRESA-N 0 3 355.442 3.279 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914080 503063886 /nfs/dbraw/zinc/06/38/86/503063886.db2.gz PCXCGKRZIVMPNO-AFIMGQEJSA-N 0 3 360.458 3.028 20 5 FGBDHN COc1cc(CN(CCO)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490007296 503088465 /nfs/dbraw/zinc/08/84/65/503088465.db2.gz UXVZUTDREWHETK-SFHVURJKSA-N 0 3 356.422 3.475 20 5 FGBDHN COc1cc(CN(CCCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490091768 503107378 /nfs/dbraw/zinc/10/73/78/503107378.db2.gz UHLIDOVEHOXFRL-SFHVURJKSA-N 0 3 356.422 3.475 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501955239 503115906 /nfs/dbraw/zinc/11/59/06/503115906.db2.gz KSTNDTYKGVJGPB-GOEBONIOSA-N 0 3 356.426 3.221 20 5 FGBDHN Cc1ccccc1C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000593040173 506354008 /nfs/dbraw/zinc/35/40/08/506354008.db2.gz PBBILCJDVUKCEB-INIZCTEOSA-N 0 3 356.422 3.312 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000510859314 503205476 /nfs/dbraw/zinc/20/54/76/503205476.db2.gz CEFJCFKBZPTDOC-UHFFFAOYSA-N 0 3 370.453 3.041 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950941 503223675 /nfs/dbraw/zinc/22/36/75/503223675.db2.gz MEDFIHPQDALFEU-OLZOCXBDSA-N 0 3 373.375 3.436 20 5 FGBDHN Cc1ccc(C)c(OC[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511061036 503245112 /nfs/dbraw/zinc/24/51/12/503245112.db2.gz WYRXSZKDOCPDDD-SFHVURJKSA-N 0 3 358.438 3.126 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000503374278 503396752 /nfs/dbraw/zinc/39/67/52/503396752.db2.gz JRFALIQREMLQAO-INIZCTEOSA-N 0 3 370.453 3.386 20 5 FGBDHN COc1cc(CNC[C@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000493625364 503435668 /nfs/dbraw/zinc/43/56/68/503435668.db2.gz PZLQJQMZQYJHKC-RISCZKNCSA-N 0 3 374.384 3.152 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000499680861 503456133 /nfs/dbraw/zinc/45/61/33/503456133.db2.gz IZVLJSPGWUSOEO-CQSZACIVSA-N 0 3 351.472 3.311 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000512101510 503458281 /nfs/dbraw/zinc/45/82/81/503458281.db2.gz ZOTNNYWMONJPFX-UHFFFAOYSA-N 0 3 368.418 3.167 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCn4ccnc4C3)cs2)c1 ZINC000494407082 503537384 /nfs/dbraw/zinc/53/73/84/503537384.db2.gz RZTBPBKBFYRMSU-ZDUSSCGKSA-N 0 3 355.423 3.019 20 5 FGBDHN C[C@@]1(c2ccccc2)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184790 503573772 /nfs/dbraw/zinc/57/37/72/503573772.db2.gz WMZOHEDEWIDHIB-PZJWPPBQSA-N 0 3 370.449 3.388 20 5 FGBDHN CCn1cc(CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593078671 506380439 /nfs/dbraw/zinc/38/04/39/506380439.db2.gz BOPFOWLXXRMAMF-UHFFFAOYSA-N 0 3 362.430 3.109 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000494662289 503586745 /nfs/dbraw/zinc/58/67/45/503586745.db2.gz RTUCJZXGSXAMFJ-GDBMZVCRSA-N 0 3 369.421 3.169 20 5 FGBDHN CNC(=O)[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)Cc1ccc(F)cc1C ZINC000517029698 503648205 /nfs/dbraw/zinc/64/82/05/503648205.db2.gz BGCNZPYDCHYGDH-QGZVFWFLSA-N 0 3 373.428 3.045 20 5 FGBDHN CC(C)c1ccc(CN[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000512875114 503648929 /nfs/dbraw/zinc/64/89/29/503648929.db2.gz YZWMGXGAGPBDQW-KRWDZBQOSA-N 0 3 374.485 3.488 20 5 FGBDHN COc1ccc([C@H](OC)[C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000540067429 503660838 /nfs/dbraw/zinc/66/08/38/503660838.db2.gz ZDWSBPUGVQOEDH-ORAYPTAESA-N 0 3 360.410 3.478 20 5 FGBDHN CSc1cc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000540136829 503685248 /nfs/dbraw/zinc/68/52/48/503685248.db2.gz VHGNOTATPSVWGC-LBPRGKRZSA-N 0 3 360.439 3.219 20 5 FGBDHN Cc1cc(C)cc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246753 503698047 /nfs/dbraw/zinc/69/80/47/503698047.db2.gz ONDSULLHGRVRSB-IEBWSBKVSA-N 0 3 370.449 3.441 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCn1cc(Br)cn1 ZINC000518231218 503932546 /nfs/dbraw/zinc/93/25/46/503932546.db2.gz XTFPVWAXBIRNGX-NSHDSACASA-N 0 3 353.220 3.213 20 5 FGBDHN COc1cc(CNC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540912803 503936681 /nfs/dbraw/zinc/93/66/81/503936681.db2.gz DZOIEVVQPJMDMH-QWRGUYRKSA-N 0 3 374.384 3.293 20 5 FGBDHN CN(CCCNC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000544053995 503988156 /nfs/dbraw/zinc/98/81/56/503988156.db2.gz UAYJNYYKBIJLTR-UHFFFAOYSA-N 0 3 373.478 3.325 20 5 FGBDHN CCOc1cccc(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000547286751 504048298 /nfs/dbraw/zinc/04/82/98/504048298.db2.gz FNQXLIHTODEINH-INIZCTEOSA-N 0 3 363.458 3.075 20 5 FGBDHN COCC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000544473261 504147086 /nfs/dbraw/zinc/14/70/86/504147086.db2.gz GNWTVUBADYCNLY-INIZCTEOSA-N 0 3 361.398 3.192 20 5 FGBDHN Cc1cnc([C@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000541687886 504221655 /nfs/dbraw/zinc/22/16/55/504221655.db2.gz PJVDQPSYTVWGEK-NSHDSACASA-N 0 3 362.411 3.009 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1 ZINC000545141328 504373144 /nfs/dbraw/zinc/37/31/44/504373144.db2.gz HYADIVDJRJOVTA-NPUYYSGSSA-N 0 3 353.382 3.004 20 5 FGBDHN CC(C)(C(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545147054 504375267 /nfs/dbraw/zinc/37/52/67/504375267.db2.gz GCNWALSBAYBWST-OAHLLOKOSA-N 0 3 363.433 3.098 20 5 FGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000548454463 504452345 /nfs/dbraw/zinc/45/23/45/504452345.db2.gz WTLCZOPDCXJTAA-QGZVFWFLSA-N 0 3 374.485 3.141 20 5 FGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000520347835 504473078 /nfs/dbraw/zinc/47/30/78/504473078.db2.gz AIIXWXJBMFDFHJ-ZDUSSCGKSA-N 0 3 351.422 3.364 20 5 FGBDHN CC(C)N1CC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548689749 504529780 /nfs/dbraw/zinc/52/97/80/504529780.db2.gz CQEAYOQHNGDQPG-OAHLLOKOSA-N 0 3 363.461 3.141 20 5 FGBDHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000520639698 504547260 /nfs/dbraw/zinc/54/72/60/504547260.db2.gz PMDKKGIHISBXGQ-KBXCAEBGSA-N 0 3 354.410 3.379 20 5 FGBDHN COc1ccc(-c2ccc(CNCCCc3nc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000539504339 504592839 /nfs/dbraw/zinc/59/28/39/504592839.db2.gz ZUHPBFNZLJAGCC-UHFFFAOYSA-N 0 3 372.381 3.277 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000536097599 504632608 /nfs/dbraw/zinc/63/26/08/504632608.db2.gz CJQJEDKMRAVFBT-MRXNPFEDSA-N 0 3 357.410 3.026 20 5 FGBDHN CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N(C)C)cc1 ZINC000521305927 504706245 /nfs/dbraw/zinc/70/62/45/504706245.db2.gz COKPYXHAECODIF-QGZVFWFLSA-N 0 3 374.466 3.053 20 5 FGBDHN COc1ccc(CN2CC[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539829514 504707223 /nfs/dbraw/zinc/70/72/23/504707223.db2.gz VSBLWGYXPWBWDK-SFHVURJKSA-N 0 3 372.421 3.403 20 5 FGBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000521335684 504711830 /nfs/dbraw/zinc/71/18/30/504711830.db2.gz CNPOGQOVSNIBLM-UHFFFAOYSA-N 0 3 361.373 3.064 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000543141003 504740165 /nfs/dbraw/zinc/74/01/65/504740165.db2.gz AZPMKLAYUFAJIF-MSOLQXFVSA-N 0 3 374.412 3.181 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)C2CCCCC2)c1 ZINC000559333098 504838079 /nfs/dbraw/zinc/83/80/79/504838079.db2.gz HONHEWLUWWFMDI-CQSZACIVSA-N 0 3 358.385 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CCOc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422548 506399415 /nfs/dbraw/zinc/39/94/15/506399415.db2.gz DSVPORZOKAWQQL-SFHVURJKSA-N 0 3 371.437 3.172 20 5 FGBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596471567 506424558 /nfs/dbraw/zinc/42/45/58/506424558.db2.gz XYEZERVTJNBUBM-LJQANCHMSA-N 0 3 368.437 3.376 20 5 FGBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599512275 506480879 /nfs/dbraw/zinc/48/08/79/506480879.db2.gz HJRABCZVRNKLQJ-TXEJJXNPSA-N 0 3 371.384 3.155 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000589272802 506503757 /nfs/dbraw/zinc/50/37/57/506503757.db2.gz YWVHDKFTWFBHRM-WMZOPIPTSA-N 0 3 361.442 3.121 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2CN)c1 ZINC000582966593 506513881 /nfs/dbraw/zinc/51/38/81/506513881.db2.gz NWWOKCQNLZYJLN-KRWDZBQOSA-N 0 3 357.435 3.015 20 5 FGBDHN CC1(C)CC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589319583 506516128 /nfs/dbraw/zinc/51/61/28/506516128.db2.gz GGVCONRDLCDFEX-GFCCVEGCSA-N 0 3 360.195 3.478 20 5 FGBDHN COc1cccc(C2(CNCc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000589319642 506516769 /nfs/dbraw/zinc/51/67/69/506516769.db2.gz LOXINNVJCYWGPL-UHFFFAOYSA-N 0 3 372.421 3.442 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(N2CC=CC2)CC1 ZINC000599831307 506663958 /nfs/dbraw/zinc/66/39/58/506663958.db2.gz KYNUYERVPRJBKR-UHFFFAOYSA-N 0 3 367.409 3.011 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc4ccncc4s3)C2)nc1 ZINC000597013376 506730554 /nfs/dbraw/zinc/73/05/54/506730554.db2.gz JIWQENQWINXQRI-CYBMUJFWSA-N 0 3 355.423 3.286 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609154077 506796393 /nfs/dbraw/zinc/79/63/93/506796393.db2.gz UETAELWIYMXTFY-HNNXBMFYSA-N 0 3 355.438 3.383 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000604473320 506840214 /nfs/dbraw/zinc/84/02/14/506840214.db2.gz NHWVLFAPVGNXLD-IAGOWNOFSA-N 0 3 353.422 3.042 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000604473321 506840410 /nfs/dbraw/zinc/84/04/10/506840410.db2.gz NHWVLFAPVGNXLD-IRXDYDNUSA-N 0 3 353.422 3.042 20 5 FGBDHN CC(C)(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609792746 507003047 /nfs/dbraw/zinc/00/30/47/507003047.db2.gz WEWSCEFUYCMTLC-UHFFFAOYSA-N 0 3 367.877 3.371 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](c3ccco3)N3CCCCC3)c2c1 ZINC000609849306 507023132 /nfs/dbraw/zinc/02/31/32/507023132.db2.gz JRUNIVRVIMHTLV-KRWDZBQOSA-N 0 3 367.409 3.192 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000609860802 507028340 /nfs/dbraw/zinc/02/83/40/507028340.db2.gz RASNWRMSUXYCGX-ZDUSSCGKSA-N 0 3 361.829 3.499 20 5 FGBDHN O=C1C[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000583998783 507095804 /nfs/dbraw/zinc/09/58/04/507095804.db2.gz KDJDRAOVGLDECQ-VFNWGFHPSA-N 0 3 365.433 3.285 20 5 FGBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503206 507157487 /nfs/dbraw/zinc/15/74/87/507157487.db2.gz GSWAVGNSEAZOTI-YJBOKZPZSA-N 0 3 356.422 3.228 20 5 FGBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594612711 507211052 /nfs/dbraw/zinc/21/10/52/507211052.db2.gz PWNYXDUBMSWDFX-RYRKJORJSA-N 0 3 356.426 3.308 20 5 FGBDHN Cc1cc(C)cc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000610391351 507223093 /nfs/dbraw/zinc/22/30/93/507223093.db2.gz WWYNUIYHCCCORR-MRXNPFEDSA-N 0 3 356.426 3.172 20 5 FGBDHN C[C@H](N[C@@]1(CO)CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420581 507233318 /nfs/dbraw/zinc/23/33/18/507233318.db2.gz ZLDFJSQSPRFGQV-UWJYYQICSA-N 0 3 369.465 3.273 20 5 FGBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cccs1 ZINC000601099856 507260918 /nfs/dbraw/zinc/26/09/18/507260918.db2.gz GWNHYJXOEUBVEB-MRVPVSSYSA-N 0 3 363.365 3.123 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000591510779 507275633 /nfs/dbraw/zinc/27/56/33/507275633.db2.gz LFLCYEBZEIPQGU-OAHLLOKOSA-N 0 3 369.421 3.181 20 5 FGBDHN CC(=O)NCc1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000594949619 507325741 /nfs/dbraw/zinc/32/57/41/507325741.db2.gz FKNAULIZLDQCDW-GDNBJRDFSA-N 0 3 353.422 3.424 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1CCNC2 ZINC000591681129 507330453 /nfs/dbraw/zinc/33/04/53/507330453.db2.gz SAOXANFHZOXUJE-GFCCVEGCSA-N 0 3 357.435 3.360 20 5 FGBDHN COc1ccc(-c2ccc(CNCCO[C@H]3CC3(F)F)o2)c([N+](=O)[O-])c1 ZINC000594970445 507337016 /nfs/dbraw/zinc/33/70/16/507337016.db2.gz GFYVBLSETKCYRQ-INIZCTEOSA-N 0 3 368.336 3.377 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598261027 507347209 /nfs/dbraw/zinc/34/72/09/507347209.db2.gz CTGZANKNUXIYKD-CYBMUJFWSA-N 0 3 353.850 3.407 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2C[C@H](O)C2)cc1 ZINC000594999997 507349036 /nfs/dbraw/zinc/34/90/36/507349036.db2.gz AOEJPFZMDXBNCI-RUCARUNLSA-N 0 3 364.405 3.060 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000595009332 507352604 /nfs/dbraw/zinc/35/26/04/507352604.db2.gz QYRQYOATGJJYPH-ZFWWWQNUSA-N 0 3 369.421 3.339 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CCC)C1 ZINC000598341893 507384863 /nfs/dbraw/zinc/38/48/63/507384863.db2.gz HWAISLCOHVKONK-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN Cc1noc(CN(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595341533 507465880 /nfs/dbraw/zinc/46/58/80/507465880.db2.gz CEKCASPLQUFWSP-WMLDXEAASA-N 0 3 358.442 3.376 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000584716355 507467510 /nfs/dbraw/zinc/46/75/10/507467510.db2.gz IXGOGCSGHXTPPZ-LPHOPBHVSA-N 0 3 360.385 3.141 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN(CCc1cccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592132752 507498148 /nfs/dbraw/zinc/49/81/48/507498148.db2.gz NOVPZPOBEGGVKO-WGSAOQKQSA-N 0 3 355.438 3.338 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000598576718 507499638 /nfs/dbraw/zinc/49/96/38/507499638.db2.gz YXRLRHSDWAVTOY-OAHLLOKOSA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@H]1CC2(CN1Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCOCC2 ZINC000592182162 507526178 /nfs/dbraw/zinc/52/61/78/507526178.db2.gz KVSWRSCSEHZACP-ZDUSSCGKSA-N 0 3 358.398 3.036 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC(c3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000595829304 507703124 /nfs/dbraw/zinc/70/31/24/507703124.db2.gz TZECLCOMEKUOGZ-UHFFFAOYSA-N 0 3 358.398 3.099 20 5 FGBDHN CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611518076 507717718 /nfs/dbraw/zinc/71/77/18/507717718.db2.gz NLPFZWFEBSQTNH-GFCCVEGCSA-N 0 3 374.384 3.106 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCN(c4ccccc4)C3)C2)nc1 ZINC000602472102 507718011 /nfs/dbraw/zinc/71/80/11/507718011.db2.gz GQAQNTAJEOVFPU-SJORKVTESA-N 0 3 367.453 3.003 20 5 FGBDHN CC(C)C(=O)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602507686 507730249 /nfs/dbraw/zinc/73/02/49/507730249.db2.gz GRWBEQPJZSHCQK-UHFFFAOYSA-N 0 3 373.375 3.350 20 5 FGBDHN CSc1ccc(C(=O)N2CCCc3cccc(CN)c32)cc1[N+](=O)[O-] ZINC000602539675 507742064 /nfs/dbraw/zinc/74/20/64/507742064.db2.gz HFOYERJBWFIWRH-UHFFFAOYSA-N 0 3 357.435 3.368 20 5 FGBDHN CC1(C)C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132524957 700828471 /nfs/dbraw/zinc/82/84/71/700828471.db2.gz QRFKZDDDZDDOSA-ZDUSSCGKSA-N 0 3 355.822 3.122 20 5 FGBDHN C[S@@](=O)C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183130620 705878385 /nfs/dbraw/zinc/87/83/85/705878385.db2.gz OHJFCFDCFWMGID-IQGLISFBSA-N 0 3 362.451 3.073 20 5 FGBDHN C[C@@H](O)CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000726881232 722438874 /nfs/dbraw/zinc/43/88/74/722438874.db2.gz OKBALKHQWXZGRT-GFCCVEGCSA-N 0 3 369.849 3.202 20 5 FGBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809697485 725259965 /nfs/dbraw/zinc/25/99/65/725259965.db2.gz HSEHVLKUXWAGSP-CQSZACIVSA-N 0 3 366.849 3.018 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCNc1ncccn1 ZINC000811471241 725367982 /nfs/dbraw/zinc/36/79/82/725367982.db2.gz LBVUDLZQRISBHJ-UHFFFAOYSA-N 0 3 356.213 3.283 20 5 FGBDHN COc1ccc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c2)c(F)c1 ZINC000813103297 726839333 /nfs/dbraw/zinc/83/93/33/726839333.db2.gz ZUTHTEQYBWJFAD-JTQLQIEISA-N 0 3 351.305 3.462 20 5 FGBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000813107254 726839948 /nfs/dbraw/zinc/83/99/48/726839948.db2.gz NQPHPRDSVATBCG-LLVKDONJSA-N 0 3 351.790 3.471 20 5 FGBDHN CC(COC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)[N+](=O)[O-] ZINC000816091749 727123959 /nfs/dbraw/zinc/12/39/59/727123959.db2.gz HIOXNUMMRQBHQJ-SNVBAGLBSA-N 0 3 352.387 3.435 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000825764913 729394608 /nfs/dbraw/zinc/39/46/08/729394608.db2.gz QARRBQSLSUPUEM-ZDUSSCGKSA-N 0 3 351.834 3.257 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl ZINC000836649210 729963804 /nfs/dbraw/zinc/96/38/04/729963804.db2.gz KKADMJQXBHNEHT-ZDUSSCGKSA-N 0 3 351.834 3.257 20 5 FGBDHN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000843428809 730619793 /nfs/dbraw/zinc/61/97/93/730619793.db2.gz OGASIZRGBJXEQR-OAHLLOKOSA-N 0 3 363.241 3.169 20 5 FGBDHN CCc1nc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845880523 730905789 /nfs/dbraw/zinc/90/57/89/730905789.db2.gz ZVVUYEYVPISEQZ-QLJPJBMISA-N 0 3 352.387 3.337 20 5 FGBDHN Cc1ncsc1CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884045 730906135 /nfs/dbraw/zinc/90/61/35/730906135.db2.gz WVUWISWYKHEKQF-BDJLRTHQSA-N 0 3 352.387 3.473 20 5 FGBDHN COC(=O)N(C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000850390263 731351546 /nfs/dbraw/zinc/35/15/46/731351546.db2.gz SJRQVTZKKIZAGU-UHFFFAOYSA-N 0 3 367.789 3.296 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896515809 742560444 /nfs/dbraw/zinc/56/04/44/742560444.db2.gz KCXNAXFFZIZJSO-ZDUSSCGKSA-N 0 3 359.348 3.279 20 5 FGBDHN Cc1c(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000573759479 505612602 /nfs/dbraw/zinc/61/26/02/505612602.db2.gz QLLDSBXWXNURCE-FQEVSTJZSA-N 0 3 358.413 3.469 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000573871609 505640001 /nfs/dbraw/zinc/64/00/01/505640001.db2.gz FBWQLWJOGDQTMG-KGLIPLIRSA-N 0 3 360.357 3.108 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000080903359 493788559 /nfs/dbraw/zinc/78/85/59/493788559.db2.gz RKVNLMOSLRPBHE-YJYMSZOUSA-N 0 3 363.458 3.009 20 5 FGBDHN Cc1cccnc1NC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080929128 493793561 /nfs/dbraw/zinc/79/35/61/493793561.db2.gz JOMITFWWMIMODO-KRWDZBQOSA-N 0 3 368.437 3.191 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cccn1C ZINC000068370415 493806140 /nfs/dbraw/zinc/80/61/40/493806140.db2.gz DCVBUSZJPBGZHE-KRWDZBQOSA-N 0 3 372.425 3.108 20 5 FGBDHN Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081122652 493836133 /nfs/dbraw/zinc/83/61/33/493836133.db2.gz OGTMJDHKNXSVKT-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN CN(C)C[C@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051469706 493972309 /nfs/dbraw/zinc/97/23/09/493972309.db2.gz SAPRVRGZTWQRLK-OAHLLOKOSA-N 0 3 374.466 3.275 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000069691901 493997932 /nfs/dbraw/zinc/99/79/32/493997932.db2.gz CXOPYQWEKRGBPP-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077524082 494104175 /nfs/dbraw/zinc/10/41/75/494104175.db2.gz XISOZFYPFZVJHZ-OAHLLOKOSA-N 0 3 360.458 3.117 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087208518 494183154 /nfs/dbraw/zinc/18/31/54/494183154.db2.gz OHEPVFLEZLEGQL-UHFFFAOYSA-N 0 3 373.428 3.257 20 5 FGBDHN COc1ccc(CNC[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000072712869 494237540 /nfs/dbraw/zinc/23/75/40/494237540.db2.gz MWTMQYZNJBYPBO-GOSISDBHSA-N 0 3 372.421 3.451 20 5 FGBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000088501392 494244624 /nfs/dbraw/zinc/24/46/24/494244624.db2.gz ORRSTCCTSBXNQG-CQSZACIVSA-N 0 3 360.414 3.022 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065984261 494264672 /nfs/dbraw/zinc/26/46/72/494264672.db2.gz RJUSUSXPKNQOKJ-UHFFFAOYSA-N 0 3 360.389 3.330 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000073003459 494303455 /nfs/dbraw/zinc/30/34/55/494303455.db2.gz LVCCBPKZVFAFMO-UHFFFAOYSA-N 0 3 357.414 3.009 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000073310930 494355700 /nfs/dbraw/zinc/35/57/00/494355700.db2.gz SJJKJQLDPOYMST-AEFFLSMTSA-N 0 3 351.406 3.351 20 5 FGBDHN Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000073954849 494456069 /nfs/dbraw/zinc/45/60/69/494456069.db2.gz ALKXBUVJQPKQDY-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067361810 494522047 /nfs/dbraw/zinc/52/20/47/494522047.db2.gz GXWJUWXRGNVRJJ-LJQANCHMSA-N 0 3 367.449 3.166 20 5 FGBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074445744 494538500 /nfs/dbraw/zinc/53/85/00/494538500.db2.gz WHPWDUVPCMXXKY-FQEVSTJZSA-N 0 3 367.449 3.260 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2ccncc2)CC1 ZINC000024086800 494604748 /nfs/dbraw/zinc/60/47/48/494604748.db2.gz QIADUMPSGNAGHT-UHFFFAOYSA-N 0 3 368.418 3.167 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092471071 494638735 /nfs/dbraw/zinc/63/87/35/494638735.db2.gz WRBPLVXIVVUVNQ-GOSISDBHSA-N 0 3 372.421 3.139 20 5 FGBDHN CN(C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092682099 494710300 /nfs/dbraw/zinc/71/03/00/494710300.db2.gz GVUJUFWQHCRZIS-UHFFFAOYSA-N 0 3 355.341 3.357 20 5 FGBDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000568620496 505738823 /nfs/dbraw/zinc/73/88/23/505738823.db2.gz IQQLNKUFKRPQLE-AEFFLSMTSA-N 0 3 356.422 3.310 20 5 FGBDHN CCN1CCN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121489015 494778442 /nfs/dbraw/zinc/77/84/42/494778442.db2.gz MMIRCDULIASSHQ-UHFFFAOYSA-N 0 3 361.273 3.341 20 5 FGBDHN Cn1cc(CN2CCC[C@@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092967025 494797249 /nfs/dbraw/zinc/79/72/49/494797249.db2.gz FWWWCRZPCCCQNP-GOSISDBHSA-N 0 3 366.425 3.029 20 5 FGBDHN CC[C@@H](c1ccncc1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000092225135 494814952 /nfs/dbraw/zinc/81/49/52/494814952.db2.gz CWOJATBOFOZLPO-INIZCTEOSA-N 0 3 370.409 3.371 20 5 FGBDHN COc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)c(OC)c1 ZINC000132181530 494835161 /nfs/dbraw/zinc/83/51/61/494835161.db2.gz BAOWBKYWHRJRSB-UHFFFAOYSA-N 0 3 362.430 3.109 20 5 FGBDHN Cc1c(NC(=O)Nc2cnn(CCN3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000093202554 494843104 /nfs/dbraw/zinc/84/31/04/494843104.db2.gz NOJVEAMWGMJCCC-UHFFFAOYSA-N 0 3 372.429 3.230 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CCN1Cc1ccccc1 ZINC000132306957 494854095 /nfs/dbraw/zinc/85/40/95/494854095.db2.gz LZOPYMORROMTAD-GDBMZVCRSA-N 0 3 357.410 3.313 20 5 FGBDHN CCc1nn(C)c(NCC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000094151896 494954582 /nfs/dbraw/zinc/95/45/82/494954582.db2.gz UQRREYNCEUTIPA-UHFFFAOYSA-N 0 3 363.487 3.276 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000133064718 494962877 /nfs/dbraw/zinc/96/28/77/494962877.db2.gz XUTNFPYLMYYEQD-CQSZACIVSA-N 0 3 351.472 3.119 20 5 FGBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000110348441 494971737 /nfs/dbraw/zinc/97/17/37/494971737.db2.gz FQDUHGKCCWZZJW-HNNXBMFYSA-N 0 3 373.478 3.324 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000133695243 495047591 /nfs/dbraw/zinc/04/75/91/495047591.db2.gz XKXJRDPMLFOBRQ-DLBZAZTESA-N 0 3 369.421 3.468 20 5 FGBDHN CN(C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000133750942 495056486 /nfs/dbraw/zinc/05/64/86/495056486.db2.gz XEIQWHJMKDIGKX-RTBURBONSA-N 0 3 353.422 3.484 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000122977702 495062369 /nfs/dbraw/zinc/06/23/69/495062369.db2.gz GEKMAEUZLUQBOP-UHFFFAOYSA-N 0 3 350.378 3.457 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(C(F)(F)F)cc1 ZINC000571558170 505761183 /nfs/dbraw/zinc/76/11/83/505761183.db2.gz AASVZGNKOHCBQP-AWEZNQCLSA-N 0 3 370.327 3.143 20 5 FGBDHN O=C(CCN1CC[C@@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000102845537 495166494 /nfs/dbraw/zinc/16/64/94/495166494.db2.gz NPPNADCKDZLFHC-QGZVFWFLSA-N 0 3 354.410 3.110 20 5 FGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123720261 495176442 /nfs/dbraw/zinc/17/64/42/495176442.db2.gz OKDAEEYUQYGDPO-LJQANCHMSA-N 0 3 368.437 3.117 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000129019283 495183209 /nfs/dbraw/zinc/18/32/09/495183209.db2.gz KBQMEVZFNXMBHB-GASCZTMLSA-N 0 3 358.442 3.444 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(N3CCOCC3)CC2)c2ccccc2)c1 ZINC000571610509 505772343 /nfs/dbraw/zinc/77/23/43/505772343.db2.gz OBYFOZYULODRAQ-FQEVSTJZSA-N 0 3 367.449 3.139 20 5 FGBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000129819458 495300023 /nfs/dbraw/zinc/30/00/23/495300023.db2.gz RAGVVNKFRYRMND-QGZVFWFLSA-N 0 3 361.373 3.040 20 5 FGBDHN C[C@H](O)CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000104965307 495319088 /nfs/dbraw/zinc/31/90/88/495319088.db2.gz FRSZYSDHJXRLJJ-ZDUSSCGKSA-N 0 3 360.414 3.160 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000120362746 495361409 /nfs/dbraw/zinc/36/14/09/495361409.db2.gz ZFTBVYHQEGOLQQ-UHFFFAOYSA-N 0 3 369.465 3.345 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000124982223 495373830 /nfs/dbraw/zinc/37/38/30/495373830.db2.gz SIELAOPTCFURNK-UHFFFAOYSA-N 0 3 357.410 3.233 20 5 FGBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C)CC1 ZINC000137065984 495421793 /nfs/dbraw/zinc/42/17/93/495421793.db2.gz OCTLEDHEEIQZSX-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN COc1cc2c(cc1OC)CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000138795766 495467545 /nfs/dbraw/zinc/46/75/45/495467545.db2.gz CWSODFFXRFNKRZ-UHFFFAOYSA-N 0 3 372.421 3.092 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000140098705 495489373 /nfs/dbraw/zinc/48/93/73/495489373.db2.gz UNACNBVWDZXTNL-AWEZNQCLSA-N 0 3 359.451 3.298 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185348163 495540877 /nfs/dbraw/zinc/54/08/77/495540877.db2.gz SXUUJYWROJRIND-FQEVSTJZSA-N 0 3 367.449 3.164 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000154212493 495546401 /nfs/dbraw/zinc/54/64/01/495546401.db2.gz VUVPJRWBPCEMIB-DZGCQCFKSA-N 0 3 374.416 3.457 20 5 FGBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182428456 495560472 /nfs/dbraw/zinc/56/04/72/495560472.db2.gz ZUCSLOMPYGDDIA-CZUORRHYSA-N 0 3 366.364 3.354 20 5 FGBDHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000170701161 495572760 /nfs/dbraw/zinc/57/27/60/495572760.db2.gz BBELJKPQBQRTFV-INIZCTEOSA-N 0 3 369.421 3.454 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000179402546 495578517 /nfs/dbraw/zinc/57/85/17/495578517.db2.gz JKSABHCFNWYUPX-HOCLYGCPSA-N 0 3 371.441 3.103 20 5 FGBDHN CCOc1ccc([C@H](C)NCc2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000179419870 495584469 /nfs/dbraw/zinc/58/44/69/495584469.db2.gz DKFOBXOBBTWQKD-AWEZNQCLSA-N 0 3 367.409 3.425 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1cccs1 ZINC000176878284 495823689 /nfs/dbraw/zinc/82/36/89/495823689.db2.gz NMODPNHMKVWRST-YVEFUNNKSA-N 0 3 374.466 3.051 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151385560 495824130 /nfs/dbraw/zinc/82/41/30/495824130.db2.gz KEXGEIMNENYBOX-BLLLJJGKSA-N 0 3 374.409 3.341 20 5 FGBDHN Cc1cc(NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000183247101 495896497 /nfs/dbraw/zinc/89/64/97/495896497.db2.gz QGZQTFNKSVVDPZ-UHFFFAOYSA-N 0 3 358.398 3.050 20 5 FGBDHN CN1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180197388 495901733 /nfs/dbraw/zinc/90/17/33/495901733.db2.gz GUUBBWYWKZGAHL-QUCCMNQESA-N 0 3 353.422 3.089 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000177192557 495968617 /nfs/dbraw/zinc/96/86/17/495968617.db2.gz IZKQWKIEKKZCFQ-QAPCUYQASA-N 0 3 368.437 3.057 20 5 FGBDHN C[C@@H](NC[C@@H](O)COCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180443847 495999074 /nfs/dbraw/zinc/99/90/74/495999074.db2.gz VRQHAWSDYOAKKN-CXAGYDPISA-N 0 3 364.829 3.477 20 5 FGBDHN CNc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000577937636 505822302 /nfs/dbraw/zinc/82/23/02/505822302.db2.gz CMCXSQCIMLXCAZ-UHFFFAOYSA-N 0 3 372.425 3.138 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000180720330 496118014 /nfs/dbraw/zinc/11/80/14/496118014.db2.gz NPBQJXIQPLZMLV-AWEZNQCLSA-N 0 3 371.393 3.281 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000180723630 496118847 /nfs/dbraw/zinc/11/88/47/496118847.db2.gz LLLARSPTZMQVFK-SFHVURJKSA-N 0 3 368.437 3.052 20 5 FGBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180824869 496159785 /nfs/dbraw/zinc/15/97/85/496159785.db2.gz IYVQNAVVDZNCNL-OAHLLOKOSA-N 0 3 357.410 3.155 20 5 FGBDHN O=C1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CN1C1CC1 ZINC000174935484 496172089 /nfs/dbraw/zinc/17/20/89/496172089.db2.gz SWFANANXNRCCSX-GFCCVEGCSA-N 0 3 357.435 3.176 20 5 FGBDHN CC[C@@H](NCCNC(=O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000162413166 496349357 /nfs/dbraw/zinc/34/93/57/496349357.db2.gz WQNQAZXWJKHGHL-GOSISDBHSA-N 0 3 357.410 3.074 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000181375825 496370511 /nfs/dbraw/zinc/37/05/11/496370511.db2.gz SUIDXSJOLMITRE-DZGCQCFKSA-N 0 3 363.483 3.404 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000162541772 496370912 /nfs/dbraw/zinc/37/09/12/496370912.db2.gz IXAYWZYRISDZKN-INIZCTEOSA-N 0 3 356.426 3.198 20 5 FGBDHN CN(C)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000162600581 496379843 /nfs/dbraw/zinc/37/98/43/496379843.db2.gz WICAHSBKWDTDNA-UHFFFAOYSA-N 0 3 357.410 3.155 20 5 FGBDHN CN(C)C(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000162608517 496382657 /nfs/dbraw/zinc/38/26/57/496382657.db2.gz MEXGGKIFAWKDSS-UHFFFAOYSA-N 0 3 357.410 3.155 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000187316795 496390612 /nfs/dbraw/zinc/39/06/12/496390612.db2.gz FFYSSJOZBIOTMB-IBGZPJMESA-N 0 3 370.453 3.185 20 5 FGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181432270 496391877 /nfs/dbraw/zinc/39/18/77/496391877.db2.gz SMZZZPCAYGKTRB-HNNXBMFYSA-N 0 3 369.421 3.451 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](N2CCCCC2)C1 ZINC000153262407 496401399 /nfs/dbraw/zinc/40/13/99/496401399.db2.gz WENHTPGMJGYUQZ-OAHLLOKOSA-N 0 3 368.437 3.234 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2cccc(Cl)c2)CCCC1 ZINC000181456885 496403770 /nfs/dbraw/zinc/40/37/70/496403770.db2.gz WWXORLNRXLFTNJ-UHFFFAOYSA-N 0 3 361.829 3.469 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184662001 496484309 /nfs/dbraw/zinc/48/43/09/496484309.db2.gz PNNBYKPZRQLAEG-CYBMUJFWSA-N 0 3 351.422 3.170 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000580829028 505847903 /nfs/dbraw/zinc/84/79/03/505847903.db2.gz WFKKHFLVZQHRHX-HNNXBMFYSA-N 0 3 354.328 3.307 20 5 FGBDHN CC1CCN(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000163506527 496525848 /nfs/dbraw/zinc/52/58/48/496525848.db2.gz LFYJQPRJFNXBFZ-UHFFFAOYSA-N 0 3 360.458 3.001 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181791071 496546261 /nfs/dbraw/zinc/54/62/61/496546261.db2.gz RMSCMZKKFRHLBM-LLVKDONJSA-N 0 3 374.363 3.419 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000184846297 496555045 /nfs/dbraw/zinc/55/50/45/496555045.db2.gz HJYDLRKYIDVBMJ-ZDUSSCGKSA-N 0 3 363.389 3.021 20 5 FGBDHN CC(=O)c1cccc(OC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821952 496559520 /nfs/dbraw/zinc/55/95/20/496559520.db2.gz GXMVLDAFQBHTBN-RDTXWAMCSA-N 0 3 372.421 3.196 20 5 FGBDHN C[C@@H](C(=O)NCC(C)(C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184914349 496582419 /nfs/dbraw/zinc/58/24/19/496582419.db2.gz ULSGNVJKVKEIBX-CYBMUJFWSA-N 0 3 351.422 3.218 20 5 FGBDHN Cc1ccc(CN(CCO)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000181960725 496614593 /nfs/dbraw/zinc/61/45/93/496614593.db2.gz RNIXWVIFMNOKNK-UHFFFAOYSA-N 0 3 371.437 3.035 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000182064793 496656182 /nfs/dbraw/zinc/65/61/82/496656182.db2.gz UCDMQJNNOMBQKA-MRXNPFEDSA-N 0 3 371.437 3.000 20 5 FGBDHN CCc1cc(N2CCC[C@@H](N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ncn1 ZINC000173410651 496680167 /nfs/dbraw/zinc/68/01/67/496680167.db2.gz AAPSCCZVKKTIEJ-WMLDXEAASA-N 0 3 355.442 3.267 20 5 FGBDHN O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000166750146 496691890 /nfs/dbraw/zinc/69/18/90/496691890.db2.gz ZBHMYZFASPIPHT-QAPCUYQASA-N 0 3 369.421 3.291 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000158421252 496697755 /nfs/dbraw/zinc/69/77/55/496697755.db2.gz YAFDUYGVBUPDTR-CHWSQXEVSA-N 0 3 351.472 3.262 20 5 FGBDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182219791 496712027 /nfs/dbraw/zinc/71/20/27/496712027.db2.gz GDIJJMZISUQULM-ROUUACIJSA-N 0 3 356.422 3.480 20 5 FGBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000191363923 496739001 /nfs/dbraw/zinc/73/90/01/496739001.db2.gz BZIFRUAPYNQMBP-QAPCUYQASA-N 0 3 353.422 3.195 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000273317412 496772048 /nfs/dbraw/zinc/77/20/48/496772048.db2.gz VUAVHBAJOQSXHF-NSHDSACASA-N 0 3 373.375 3.416 20 5 FGBDHN COc1ccc(CNC[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000191722067 496867111 /nfs/dbraw/zinc/86/71/11/496867111.db2.gz UGTQNWFSUXXFBW-FOIQADDNSA-N 0 3 358.438 3.323 20 5 FGBDHN CN(C)CC(C)(C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277741076 496871339 /nfs/dbraw/zinc/87/13/39/496871339.db2.gz IAWBOTDOOYAMFS-UHFFFAOYSA-N 0 3 351.450 3.411 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269443067 496948373 /nfs/dbraw/zinc/94/83/73/496948373.db2.gz AUEMAIMGSAXZHJ-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN COc1cccc([C@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000198747380 496970006 /nfs/dbraw/zinc/97/00/06/496970006.db2.gz GADBLYRPSCXKQF-FXAWDEMLSA-N 0 3 372.421 3.180 20 5 FGBDHN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000248617020 497059539 /nfs/dbraw/zinc/05/95/39/497059539.db2.gz ZFKDMKGALWVMJL-MCIONIFRSA-N 0 3 351.422 3.074 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCc2cn3c(n2)SCC3)o1 ZINC000274284291 497059912 /nfs/dbraw/zinc/05/99/12/497059912.db2.gz WCMNUIZQTZBMPW-UHFFFAOYSA-N 0 3 370.434 3.489 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000189522069 497148897 /nfs/dbraw/zinc/14/88/97/497148897.db2.gz QHXCXFQPBBNHHK-GDBMZVCRSA-N 0 3 367.471 3.196 20 5 FGBDHN CNCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000237295096 497216879 /nfs/dbraw/zinc/21/68/79/497216879.db2.gz OKNMUKGBCBVWOH-UHFFFAOYSA-N 0 3 354.410 3.167 20 5 FGBDHN COCC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000271187063 497285837 /nfs/dbraw/zinc/28/58/37/497285837.db2.gz NQZANUYNCRGSAB-UHFFFAOYSA-N 0 3 362.451 3.297 20 5 FGBDHN C[C@@H]1CN(C[C@@H]2CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000255448543 497367708 /nfs/dbraw/zinc/36/77/08/497367708.db2.gz PQBHJADKORTCQH-FHHYENRYSA-N 0 3 359.470 3.182 20 5 FGBDHN CSc1ccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255956076 497380628 /nfs/dbraw/zinc/38/06/28/497380628.db2.gz VWAMWNGQMAGRDB-STQMWFEESA-N 0 3 351.472 3.167 20 5 FGBDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275687568 497403522 /nfs/dbraw/zinc/40/35/22/497403522.db2.gz PFZYNWJTPBYWLP-UXHICEINSA-N 0 3 361.445 3.450 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000245671630 497495914 /nfs/dbraw/zinc/49/59/14/497495914.db2.gz DAIVTKUZLAYOMA-XQQFMLRXSA-N 0 3 353.850 3.344 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245679172 497497871 /nfs/dbraw/zinc/49/78/71/497497871.db2.gz JDQWBWCLQWESFK-XHDPSFHLSA-N 0 3 352.822 3.196 20 5 FGBDHN C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000194003060 497545531 /nfs/dbraw/zinc/54/55/31/497545531.db2.gz URUWCUFYWDJEIW-ZWNOBZJWSA-N 0 3 370.247 3.464 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000246254035 497675462 /nfs/dbraw/zinc/67/54/62/497675462.db2.gz XKEFVEOIKYLWST-NEPJUHHUSA-N 0 3 373.375 3.464 20 5 FGBDHN COc1cc(CNC[C@H](C)OC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191153648 497726214 /nfs/dbraw/zinc/72/62/14/497726214.db2.gz HTYFEJBTTVJRKA-AWEZNQCLSA-N 0 3 360.410 3.307 20 5 FGBDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581217483 505935754 /nfs/dbraw/zinc/93/57/54/505935754.db2.gz JFXRCLZPHTXVLG-YJBOKZPZSA-N 0 3 371.437 3.150 20 5 FGBDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299574939 497853718 /nfs/dbraw/zinc/85/37/18/497853718.db2.gz HJWUWINMPXFBFA-KRWDZBQOSA-N 0 3 372.425 3.410 20 5 FGBDHN COc1cccc(COC[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292088353 497872034 /nfs/dbraw/zinc/87/20/34/497872034.db2.gz GMUNHZZOJZTISN-INIZCTEOSA-N 0 3 374.437 3.006 20 5 FGBDHN C[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000299684856 497894449 /nfs/dbraw/zinc/89/44/49/497894449.db2.gz NICKVOFWLSJYPI-LBPRGKRZSA-N 0 3 357.366 3.003 20 5 FGBDHN O=C(CCCc1ccccc1)NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581262681 505946626 /nfs/dbraw/zinc/94/66/26/505946626.db2.gz ZXNCDGXURXCCPG-LJQANCHMSA-N 0 3 367.449 3.311 20 5 FGBDHN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000301092698 497947442 /nfs/dbraw/zinc/94/74/42/497947442.db2.gz JPRJQOQREZJKLK-UONOGXRCSA-N 0 3 360.458 3.019 20 5 FGBDHN Cc1cc(NCc2ccc(CN3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000301124366 497962125 /nfs/dbraw/zinc/96/21/25/497962125.db2.gz ZFJBKNMUZQISTE-UHFFFAOYSA-N 0 3 354.454 3.263 20 5 FGBDHN CN(CCC(=O)N1CCc2sccc2C1)CCc1ccccc1[N+](=O)[O-] ZINC000285303194 498046881 /nfs/dbraw/zinc/04/68/81/498046881.db2.gz LINAHTJTLJCFCO-UHFFFAOYSA-N 0 3 373.478 3.106 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000364633156 498059397 /nfs/dbraw/zinc/05/93/97/498059397.db2.gz JQMDVEWUDOHFFT-HZMBPMFUSA-N 0 3 351.453 3.141 20 5 FGBDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285404632 498074546 /nfs/dbraw/zinc/07/45/46/498074546.db2.gz BCCACCAIAUQVOO-CJNGLKHVSA-N 0 3 360.414 3.160 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000292670251 498103912 /nfs/dbraw/zinc/10/39/12/498103912.db2.gz JBJRMFBIHCKSKT-OALUTQOASA-N 0 3 356.422 3.122 20 5 FGBDHN CCc1cc(N(C)[C@@H]2CCN(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526488 498148104 /nfs/dbraw/zinc/14/81/04/498148104.db2.gz HZNZDVXUUIETKT-RDTXWAMCSA-N 0 3 369.469 3.391 20 5 FGBDHN Cn1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292815718 498156007 /nfs/dbraw/zinc/15/60/07/498156007.db2.gz PGCKZHREKAZQOD-WBVHZDCISA-N 0 3 362.380 3.472 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3C)cc2)CC1 ZINC000301554424 498161887 /nfs/dbraw/zinc/16/18/87/498161887.db2.gz WGAAJYDYZOKJKJ-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN Cc1c(NC(=O)CCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590240 498207554 /nfs/dbraw/zinc/20/75/54/498207554.db2.gz PQTJFGYXYKQNKB-IEBWSBKVSA-N 0 3 373.453 3.265 20 5 FGBDHN C[C@H](C(=O)NCCN1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330948109 498223635 /nfs/dbraw/zinc/22/36/35/498223635.db2.gz BSIUMJZTSGSTBP-ZDUSSCGKSA-N 0 3 351.422 3.076 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296905783 498245284 /nfs/dbraw/zinc/24/52/84/498245284.db2.gz YEJLPKUSHMBFAU-GFCCVEGCSA-N 0 3 364.421 3.380 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293159191 498290055 /nfs/dbraw/zinc/29/00/55/498290055.db2.gz WOZAIWUIRJGBCD-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286095657 498290947 /nfs/dbraw/zinc/29/09/47/498290947.db2.gz KUVPZJRBUIMVBH-AXAPSJFSSA-N 0 3 367.471 3.194 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286182562 498317557 /nfs/dbraw/zinc/31/75/57/498317557.db2.gz JHIWIRNZXUZVPO-UHFFFAOYSA-N 0 3 373.438 3.152 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000331481625 498344450 /nfs/dbraw/zinc/34/44/50/498344450.db2.gz JOONDPUQUWAMFB-BLLLJJGKSA-N 0 3 363.483 3.308 20 5 FGBDHN C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000301960174 498345392 /nfs/dbraw/zinc/34/53/92/498345392.db2.gz 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ZINC000579375974 506159448 /nfs/dbraw/zinc/15/94/48/506159448.db2.gz DMMDMVOPQCRSQV-MRXNPFEDSA-N 0 3 350.378 3.464 20 5 FGBDHN CS(=O)(=O)c1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000414441496 499792682 /nfs/dbraw/zinc/79/26/82/499792682.db2.gz ZEPDRMKRGRZSCH-UHFFFAOYSA-N 0 3 374.871 3.046 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411918868 499803340 /nfs/dbraw/zinc/80/33/40/499803340.db2.gz ALXXUKQLVYOCEZ-MJGOQNOKSA-N 0 3 369.421 3.040 20 5 FGBDHN C[C@@H](C(=O)N1CCCN(CC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000412312675 499844063 /nfs/dbraw/zinc/84/40/63/499844063.db2.gz PWEBSJWPNOZOIC-CQSZACIVSA-N 0 3 363.433 3.172 20 5 FGBDHN COCCN(C)CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000413128580 499917390 /nfs/dbraw/zinc/91/73/90/499917390.db2.gz WRDFIVORIJEXEL-KRWDZBQOSA-N 0 3 362.405 3.250 20 5 FGBDHN C[C@H](NC(=O)Nc1ccc2c(c1F)CCNC2)c1ccccc1[N+](=O)[O-] ZINC000415969377 499935295 /nfs/dbraw/zinc/93/52/95/499935295.db2.gz GOWUKSYIKBRFMA-NSHDSACASA-N 0 3 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COc1cc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425498397 500124756 /nfs/dbraw/zinc/12/47/56/500124756.db2.gz FVLYAHFZWJGJEO-AZUAARDMSA-N 0 3 367.449 3.310 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)c1 ZINC000425600669 500157980 /nfs/dbraw/zinc/15/79/80/500157980.db2.gz DHYHNNRIKXZSTH-INIZCTEOSA-N 0 3 353.422 3.426 20 5 FGBDHN CC[C@@H](O)CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000422087081 500212793 /nfs/dbraw/zinc/21/27/93/500212793.db2.gz PSVBMESZSVMAEW-QGZVFWFLSA-N 0 3 360.410 3.043 20 5 FGBDHN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552188 506184470 /nfs/dbraw/zinc/18/44/70/506184470.db2.gz FAAIOANQIQJOCM-UZLBHIALSA-N 0 3 356.422 3.137 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423617162 500389781 /nfs/dbraw/zinc/38/97/81/500389781.db2.gz XBZSIXJFENXGPK-DLBZAZTESA-N 0 3 353.422 3.087 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431688046 500409282 /nfs/dbraw/zinc/40/92/82/500409282.db2.gz AYWDNCCEKUWYJB-INIZCTEOSA-N 0 3 362.474 3.394 20 5 FGBDHN C[C@H](NCCNC(=O)CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000424141842 500459444 /nfs/dbraw/zinc/45/94/44/500459444.db2.gz PDUHFGQQCZRWOF-INIZCTEOSA-N 0 3 355.438 3.385 20 5 FGBDHN COc1ccc(CNCCC(C)(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000424193885 500466356 /nfs/dbraw/zinc/46/63/56/500466356.db2.gz WOEPGNWLMUTBOL-UHFFFAOYSA-N 0 3 352.431 3.451 20 5 FGBDHN C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000420594321 500475999 /nfs/dbraw/zinc/47/59/99/500475999.db2.gz DIBVCCWEPQFIKT-HOCLYGCPSA-N 0 3 368.437 3.159 20 5 FGBDHN O=[N+]([O-])c1cccc2c(N3CC[C@@H](OCCN4CCCCC4)C3)ccnc21 ZINC000432336322 500501327 /nfs/dbraw/zinc/50/13/27/500501327.db2.gz MQRMASDGAZYZCV-MRXNPFEDSA-N 0 3 370.453 3.224 20 5 FGBDHN COc1ccc(OC)c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529229 500618005 /nfs/dbraw/zinc/61/80/05/500618005.db2.gz KYDZNUHPIVOMKV-CVEARBPZSA-N 0 3 360.414 3.082 20 5 FGBDHN Cc1ccccc1CN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447692469 500646504 /nfs/dbraw/zinc/64/65/04/500646504.db2.gz FLPDPCZRXGAZDM-UHFFFAOYSA-N 0 3 365.437 3.278 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447689225 500646809 /nfs/dbraw/zinc/64/68/09/500646809.db2.gz KIAWYMMIJQMABK-CQSZACIVSA-N 0 3 351.410 3.182 20 5 FGBDHN Cc1cc(NCCOCC(F)(F)C(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000433812509 500748862 /nfs/dbraw/zinc/74/88/62/500748862.db2.gz WEPZRVHYMMHICD-UHFFFAOYSA-N 0 3 361.295 3.202 20 5 FGBDHN CCO[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000570710828 506214772 /nfs/dbraw/zinc/21/47/72/506214772.db2.gz MTQURINPFCSPPH-SFHVURJKSA-N 0 3 357.410 3.291 20 5 FGBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000438286320 500763109 /nfs/dbraw/zinc/76/31/09/500763109.db2.gz VEOMBFRCBOKMPP-OAHLLOKOSA-N 0 3 373.453 3.132 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000438469077 500789474 /nfs/dbraw/zinc/78/94/74/500789474.db2.gz VJQDUDQOCNDKAD-UHFFFAOYSA-N 0 3 372.450 3.342 20 5 FGBDHN CC1(C)CCCN(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000444013225 500792232 /nfs/dbraw/zinc/79/22/32/500792232.db2.gz XZKLKRZGZGDRPK-UHFFFAOYSA-N 0 3 357.401 3.408 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434447073 500843639 /nfs/dbraw/zinc/84/36/39/500843639.db2.gz SXMNHRUHCOXQRW-OAHLLOKOSA-N 0 3 363.483 3.454 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3nc(C4CC4)cs3)CC2)cn1 ZINC000602570736 506221107 /nfs/dbraw/zinc/22/11/07/506221107.db2.gz IPMHQQJBGJAPLK-UHFFFAOYSA-N 0 3 359.455 3.082 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434947298 500914359 /nfs/dbraw/zinc/91/43/59/500914359.db2.gz PBEUJFUNQJVFJD-UHFFFAOYSA-N 0 3 370.787 3.490 20 5 FGBDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000435055904 500928218 /nfs/dbraw/zinc/92/82/18/500928218.db2.gz JVZHFVIFKZIPDF-OAHLLOKOSA-N 0 3 359.426 3.007 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccccc2F)C1=O ZINC000449144458 500934328 /nfs/dbraw/zinc/93/43/28/500934328.db2.gz JAOLYAOJLBIKMI-CJNGLKHVSA-N 0 3 357.385 3.060 20 5 FGBDHN CCn1ccnc1[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449316339 500975059 /nfs/dbraw/zinc/97/50/59/500975059.db2.gz MRTZAYDLPAHYBJ-DNVCBOLYSA-N 0 3 372.469 3.500 20 5 FGBDHN Cn1c2ccc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2oc1=O ZINC000449503114 501019857 /nfs/dbraw/zinc/01/98/57/501019857.db2.gz SUVLZNCMHQBPST-INIZCTEOSA-N 0 3 367.405 3.419 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000446039597 501065688 /nfs/dbraw/zinc/06/56/88/501065688.db2.gz OVOHAOWKPQMCPJ-AWEZNQCLSA-N 0 3 351.834 3.257 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000436399834 501120911 /nfs/dbraw/zinc/12/09/11/501120911.db2.gz GQCMCDYOPCQEQR-BXUZGUMPSA-N 0 3 350.312 3.307 20 5 FGBDHN O=[N+]([O-])c1ccc2c(ccnc2NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000450216775 501212617 /nfs/dbraw/zinc/21/26/17/501212617.db2.gz RGNDZOKZSXSKLG-QGZVFWFLSA-N 0 3 352.394 3.407 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000450973026 501236087 /nfs/dbraw/zinc/23/60/87/501236087.db2.gz RXFAKZBQUMRGAS-HOTGVXAUSA-N 0 3 361.442 3.169 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000451553274 501321891 /nfs/dbraw/zinc/32/18/91/501321891.db2.gz YAPROYKCPAEMCW-FPOVZHCZSA-N 0 3 370.449 3.352 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700077 501354338 /nfs/dbraw/zinc/35/43/38/501354338.db2.gz XDCDLEWTCHZHRR-MMTVNHQJSA-N 0 3 372.425 3.189 20 5 FGBDHN CC(C)(CO)[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602666340 506252485 /nfs/dbraw/zinc/25/24/85/506252485.db2.gz ICXKKRZPUKFDHF-LLVKDONJSA-N 0 3 363.277 3.306 20 5 FGBDHN CN(Cc1ccccc1)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000456122577 501459372 /nfs/dbraw/zinc/45/93/72/501459372.db2.gz OKWIIQYWARLYSL-UHFFFAOYSA-N 0 3 367.449 3.308 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000452342605 501482465 /nfs/dbraw/zinc/48/24/65/501482465.db2.gz ILQCBXUXXVFAET-CABCVRRESA-N 0 3 365.449 3.464 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000456300294 501491644 /nfs/dbraw/zinc/49/16/44/501491644.db2.gz GLIOMIMFFABYFE-KRWDZBQOSA-N 0 3 367.449 3.118 20 5 FGBDHN CN(Cc1ccccc1)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000452717139 501550655 /nfs/dbraw/zinc/55/06/55/501550655.db2.gz OOJLBLURVBCPDA-UHFFFAOYSA-N 0 3 367.449 3.308 20 5 FGBDHN CN(C)CCNC(=O)c1ccc(NC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000598991296 506265540 /nfs/dbraw/zinc/26/55/40/506265540.db2.gz JYMMOQCQPMMFJV-ALCCZGGFSA-N 0 3 368.437 3.012 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000457100250 501650479 /nfs/dbraw/zinc/65/04/79/501650479.db2.gz WJZDTUBNUWMCGK-INIZCTEOSA-N 0 3 368.437 3.212 20 5 FGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459673660 501696937 /nfs/dbraw/zinc/69/69/37/501696937.db2.gz JJMPBICTFVBSBK-ZWKOTPCHSA-N 0 3 353.422 3.462 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@@H]4COC[C@H]43)o2)c1 ZINC000459684238 501698668 /nfs/dbraw/zinc/69/86/68/501698668.db2.gz UMKNBFNYXGKJHA-IAGOWNOFSA-N 0 3 369.421 3.293 20 5 FGBDHN C[C@@H](Cc1cccc(F)c1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778237 501712667 /nfs/dbraw/zinc/71/26/67/501712667.db2.gz ZJAVXDNZKGEJST-YOEHRIQHSA-N 0 3 362.401 3.037 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218180 501742269 /nfs/dbraw/zinc/74/22/69/501742269.db2.gz NWXQIFPFOYHEEG-QWHCGFSZSA-N 0 3 368.865 3.168 20 5 FGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474234145 501755169 /nfs/dbraw/zinc/75/51/69/501755169.db2.gz AFVMVKVZZQGYDP-LJQANCHMSA-N 0 3 355.438 3.180 20 5 FGBDHN Cc1c(CN[C@H](C)[C@H](c2ccccc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000477736410 501772655 /nfs/dbraw/zinc/77/26/55/501772655.db2.gz ABTVGOLBLJMTDA-DYESRHJHSA-N 0 3 369.465 3.455 20 5 FGBDHN C[C@@H]1[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000464077511 501890984 /nfs/dbraw/zinc/89/09/84/501890984.db2.gz SDEAHJXEGHETDK-GDIGMMSISA-N 0 3 374.462 3.150 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000471142103 501933616 /nfs/dbraw/zinc/93/36/16/501933616.db2.gz JROGKFFRQMLYBE-AUUYWEPGSA-N 0 3 371.437 3.415 20 5 FGBDHN Cc1c(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000478448255 501985211 /nfs/dbraw/zinc/98/52/11/501985211.db2.gz SHWZZNBVIUQCOX-SFHVURJKSA-N 0 3 356.426 3.005 20 5 FGBDHN CCOC(=O)c1coc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000474926532 501994474 /nfs/dbraw/zinc/99/44/74/501994474.db2.gz PNGSKUCIMNWFME-UHFFFAOYSA-N 0 3 352.774 3.350 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475089674 502052670 /nfs/dbraw/zinc/05/26/70/502052670.db2.gz OEVNWUCUGKMXET-NUEKZKHPSA-N 0 3 362.426 3.157 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475089667 502052919 /nfs/dbraw/zinc/05/29/19/502052919.db2.gz OEVNWUCUGKMXET-CWRNSKLLSA-N 0 3 362.426 3.157 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468458288 502063084 /nfs/dbraw/zinc/06/30/84/502063084.db2.gz IEFNXCWRACVKCR-BBRMVZONSA-N 0 3 365.499 3.312 20 5 FGBDHN COc1c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116940 502066145 /nfs/dbraw/zinc/06/61/45/502066145.db2.gz GQNSVWBMVAXJHT-GOEBONIOSA-N 0 3 369.421 3.169 20 5 FGBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475308227 502127705 /nfs/dbraw/zinc/12/77/05/502127705.db2.gz MROAHXDIGKJQQS-HXUWFJFHSA-N 0 3 367.449 3.260 20 5 FGBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475320578 502132883 /nfs/dbraw/zinc/13/28/83/502132883.db2.gz KLHJIVDBFFXNSE-QGZVFWFLSA-N 0 3 353.422 3.250 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCCS(=O)(=O)c1ccccc1 ZINC000468651083 502136095 /nfs/dbraw/zinc/13/60/95/502136095.db2.gz XQFRARJEHKEYLD-SSZFMOIBSA-N 0 3 374.462 3.452 20 5 FGBDHN COc1cccc(NCCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000475431269 502169939 /nfs/dbraw/zinc/16/99/39/502169939.db2.gz XJDLYJHXEMVMIA-UHFFFAOYSA-N 0 3 359.426 3.198 20 5 FGBDHN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944758 502179792 /nfs/dbraw/zinc/17/97/92/502179792.db2.gz SSNQRZGEKGYCIK-CRAIPNDOSA-N 0 3 370.409 3.170 20 5 FGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000482990729 502238745 /nfs/dbraw/zinc/23/87/45/502238745.db2.gz WBOBHGOFKTXWMF-LLVKDONJSA-N 0 3 366.215 3.482 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475707389 502259562 /nfs/dbraw/zinc/25/95/62/502259562.db2.gz SLUKSJGUGAFXFI-KBPBESRZSA-N 0 3 350.415 3.015 20 5 FGBDHN CC[C@H]1CN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000487151878 502375347 /nfs/dbraw/zinc/37/53/47/502375347.db2.gz DJPLRGRGNJYCHX-KRWDZBQOSA-N 0 3 359.426 3.055 20 5 FGBDHN COCc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1F ZINC000472596179 502397000 /nfs/dbraw/zinc/39/70/00/502397000.db2.gz HQGAWEPTYZUAEA-DLBZAZTESA-N 0 3 362.405 3.350 20 5 FGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1OC ZINC000479890868 502411229 /nfs/dbraw/zinc/41/12/29/502411229.db2.gz ZWTKHSXDJMEOKC-IAOVAPTHSA-N 0 3 363.458 3.414 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000487560294 502478803 /nfs/dbraw/zinc/47/88/03/502478803.db2.gz VSWFUQBLQKNWEA-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000469794329 502547878 /nfs/dbraw/zinc/54/78/78/502547878.db2.gz PDSIQDDCFOQCNA-UKRRQHHQSA-N 0 3 351.472 3.496 20 5 FGBDHN COc1cccc([C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])N(C)C)c1 ZINC000487897283 502560062 /nfs/dbraw/zinc/56/00/62/502560062.db2.gz PURBQICHXJWBDQ-SFHVURJKSA-N 0 3 366.421 3.288 20 5 FGBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1CC1 ZINC000484068883 502561696 /nfs/dbraw/zinc/56/16/96/502561696.db2.gz MTOGZWHANOVWRC-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000466552383 502605526 /nfs/dbraw/zinc/60/55/26/502605526.db2.gz BZJNBKZWWBLLBO-QWHCGFSZSA-N 0 3 368.865 3.310 20 5 FGBDHN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000484266817 502611695 /nfs/dbraw/zinc/61/16/95/502611695.db2.gz UDJNHMSVXXYTGO-UPJWGTAASA-N 0 3 353.850 3.168 20 5 FGBDHN COc1cc(C[C@H](CO)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000484472617 502648423 /nfs/dbraw/zinc/64/84/23/502648423.db2.gz LBWAMJUZVQXXRI-HOCLYGCPSA-N 0 3 374.437 3.114 20 5 FGBDHN COc1cc(C[C@@H](CO)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000484473855 502649708 /nfs/dbraw/zinc/64/97/08/502649708.db2.gz ZVBGLLROMHCRGK-GDBMZVCRSA-N 0 3 374.437 3.114 20 5 FGBDHN C[C@H](NCCNc1cnccn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484496080 502653631 /nfs/dbraw/zinc/65/36/31/502653631.db2.gz GYZMDKAAQLFLGC-ZDUSSCGKSA-N 0 3 369.450 3.298 20 5 FGBDHN Cc1cnc(NCCCN2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051989 502675932 /nfs/dbraw/zinc/67/59/32/502675932.db2.gz GWMWUGHOEYNJOE-LJQANCHMSA-N 0 3 369.469 3.089 20 5 FGBDHN CCOC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000470153949 502683064 /nfs/dbraw/zinc/68/30/64/502683064.db2.gz AOTOGZXMCGBKKN-LJQANCHMSA-N 0 3 360.385 3.345 20 5 FGBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000488541695 502745859 /nfs/dbraw/zinc/74/58/59/502745859.db2.gz SXWKPOCJXUJFSZ-UHFFFAOYSA-N 0 3 371.393 3.174 20 5 FGBDHN C[C@@H]1CC(C)(C)CC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481097537 502753607 /nfs/dbraw/zinc/75/36/07/502753607.db2.gz YVNOBYOCROGYJF-VXGBXAGGSA-N 0 3 363.414 3.066 20 5 FGBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCc1nc(-c3ccccc3)no1)CC2 ZINC000495503392 502849054 /nfs/dbraw/zinc/84/90/54/502849054.db2.gz NOOSLRKOJGJJPA-UHFFFAOYSA-N 0 3 365.393 3.031 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000513256386 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FGBDHN CC[C@H]1CN(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494467676 503547029 /nfs/dbraw/zinc/54/70/29/503547029.db2.gz RLSCKBMKQGSJAP-LEWJYISDSA-N 0 3 369.465 3.385 20 5 FGBDHN COCC[C@H](c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000512450619 503555907 /nfs/dbraw/zinc/55/59/07/503555907.db2.gz UIUUOYNLWGAYOK-HXUWFJFHSA-N 0 3 355.438 3.495 20 5 FGBDHN CCn1cc(CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cn1 ZINC000593081280 506382059 /nfs/dbraw/zinc/38/20/59/506382059.db2.gz QNAMIMOISICEEG-UHFFFAOYSA-N 0 3 373.457 3.359 20 5 FGBDHN C[NH+](C)CCOc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)c1 ZINC000495026321 503650285 /nfs/dbraw/zinc/65/02/85/503650285.db2.gz DAUDAXAXDWDFKI-UHFFFAOYSA-N 0 3 368.393 3.269 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000543206947 503679995 /nfs/dbraw/zinc/67/99/95/503679995.db2.gz GQYVUTBFYYVOER-OALUTQOASA-N 0 3 370.449 3.289 20 5 FGBDHN CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)c1 ZINC000546401832 503735435 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C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025148 505289130 /nfs/dbraw/zinc/28/91/30/505289130.db2.gz ISQSQYQTCZKPBA-HUBLWGQQSA-N 0 3 351.834 3.051 20 5 FGBDHN O=C1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1ccccc1 ZINC000558068934 505300527 /nfs/dbraw/zinc/30/05/27/505300527.db2.gz GTPYPGTUZVEXIW-HKUYNNGSSA-N 0 3 365.433 3.311 20 5 FGBDHN COc1ccc(OCCN[C@H](c2ccccc2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000558482192 505403978 /nfs/dbraw/zinc/40/39/78/505403978.db2.gz QTGVOLFFNLMJMN-LJQANCHMSA-N 0 3 374.437 3.332 20 5 FGBDHN Cc1cc(NCCc2nc(-c3ccccc3)n[nH]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000558595611 505433684 /nfs/dbraw/zinc/43/36/84/505433684.db2.gz ALFGJUROSNLOEH-UHFFFAOYSA-N 0 3 374.404 3.313 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552252378 505441465 /nfs/dbraw/zinc/44/14/65/505441465.db2.gz LDHZYUOAXYIMMD-GPMSIDNRSA-N 0 3 371.485 3.270 20 5 FGBDHN CCN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@@H](C)CO ZINC000552382569 505478140 /nfs/dbraw/zinc/47/81/40/505478140.db2.gz XOQQHEYDLIYHRV-HNNXBMFYSA-N 0 3 374.437 3.385 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(CC)CC)cc1 ZINC000562183030 505534216 /nfs/dbraw/zinc/53/42/16/505534216.db2.gz VTJZYABCFVAILF-SFHVURJKSA-N 0 3 358.442 3.298 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000564920449 505558328 /nfs/dbraw/zinc/55/83/28/505558328.db2.gz VXOGHQHDPOBKAC-MRXNPFEDSA-N 0 3 354.410 3.116 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000596439501 506406038 /nfs/dbraw/zinc/40/60/38/506406038.db2.gz DQEMURPZXRLEFJ-UHFFFAOYSA-N 0 3 355.442 3.326 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CC1CC1)c1ccccc1 ZINC000612118718 506444954 /nfs/dbraw/zinc/44/49/54/506444954.db2.gz COYHSICDAKXJIA-QZTJIDSGSA-N 0 3 356.422 3.466 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589280612 506505150 /nfs/dbraw/zinc/50/51/50/506505150.db2.gz UTOAXWGPZOVEGO-QGZVFWFLSA-N 0 3 353.422 3.111 20 5 FGBDHN O=C(CCN[C@@H](c1ccccn1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599574580 506506763 /nfs/dbraw/zinc/50/67/63/506506763.db2.gz VQBFXQCVYLWWDN-LJQANCHMSA-N 0 3 354.410 3.449 20 5 FGBDHN Cc1cc(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)ccc1Br ZINC000589308781 506512877 /nfs/dbraw/zinc/51/28/77/506512877.db2.gz YRAXUBUXYHCCDP-UHFFFAOYSA-N 0 3 367.247 3.387 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000589508057 506573993 /nfs/dbraw/zinc/57/39/93/506573993.db2.gz ZGBIWILYDDORAO-QUJCMNEKSA-N 0 3 370.405 3.424 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000583083109 506581896 /nfs/dbraw/zinc/58/18/96/506581896.db2.gz GRLKLDJIRNVXIM-LIRRHRJNSA-N 0 3 368.437 3.232 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000603780953 506617266 /nfs/dbraw/zinc/61/72/66/506617266.db2.gz CCLOALYCNFFJQC-UHFFFAOYSA-N 0 3 353.378 3.333 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000603841059 506630777 /nfs/dbraw/zinc/63/07/77/506630777.db2.gz CWJIFWRZMWFOES-UHFFFAOYSA-N 0 3 373.428 3.321 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596845388 506633403 /nfs/dbraw/zinc/63/34/03/506633403.db2.gz QLCBLUVQWGTCGU-INIZCTEOSA-N 0 3 374.485 3.389 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccnc3cc([N+](=O)[O-])ccc32)ccn1 ZINC000593463962 506634100 /nfs/dbraw/zinc/63/41/00/506634100.db2.gz AMDSBKXOPZCOFM-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000593468089 506637168 /nfs/dbraw/zinc/63/71/68/506637168.db2.gz SRRWEWATAVFLCN-QGZVFWFLSA-N 0 3 370.453 3.224 20 5 FGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[C@@H](C)C1 ZINC000599830480 506664007 /nfs/dbraw/zinc/66/40/07/506664007.db2.gz JENACXIVRIUSLI-KGLIPLIRSA-N 0 3 371.441 3.385 20 5 FGBDHN Cc1nccc([C@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604013601 506685696 /nfs/dbraw/zinc/68/56/96/506685696.db2.gz TZQBDGPLVMMXOW-INIZCTEOSA-N 0 3 356.426 3.342 20 5 FGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590443483 506824911 /nfs/dbraw/zinc/82/49/11/506824911.db2.gz DEYAOJMNAYFPLY-BBRMVZONSA-N 0 3 363.483 3.263 20 5 FGBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@H]2N1 ZINC000597205349 506834631 /nfs/dbraw/zinc/83/46/31/506834631.db2.gz JFQRYXONWNOOOK-WMLDXEAASA-N 0 3 371.462 3.424 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000609309955 506845253 /nfs/dbraw/zinc/84/52/53/506845253.db2.gz PYDSCQOMEZGLMJ-ZIAGYGMSSA-N 0 3 363.483 3.209 20 5 FGBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000583600233 506869327 /nfs/dbraw/zinc/86/93/27/506869327.db2.gz ZNMAMYCHPMNKCZ-GFCCVEGCSA-N 0 3 373.375 3.303 20 5 FGBDHN COc1cc(CNC2CCC(OC(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000590662213 506898628 /nfs/dbraw/zinc/89/86/28/506898628.db2.gz ATTHJTNPFPTCBH-UHFFFAOYSA-N 0 3 360.357 3.252 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000590659559 506899197 /nfs/dbraw/zinc/89/91/97/506899197.db2.gz LZROHJDAZOQLQR-AEFFLSMTSA-N 0 3 374.437 3.163 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1CCC(F)(F)CC1 ZINC000594041294 506902481 /nfs/dbraw/zinc/90/24/81/506902481.db2.gz BDPQNJAUSJZBAD-NSHDSACASA-N 0 3 371.384 3.346 20 5 FGBDHN COc1ccc(CNCCC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000583672395 506907527 /nfs/dbraw/zinc/90/75/27/506907527.db2.gz UARUJRLOYAKZBN-UHFFFAOYSA-N 0 3 365.336 3.000 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594108904 506944857 /nfs/dbraw/zinc/94/48/57/506944857.db2.gz ZOEPERYOVKKFQK-ZBFHGGJFSA-N 0 3 362.430 3.132 20 5 FGBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503204 507157099 /nfs/dbraw/zinc/15/70/99/507157099.db2.gz GSWAVGNSEAZOTI-MAUKXSAKSA-N 0 3 356.422 3.228 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594511087 507163333 /nfs/dbraw/zinc/16/33/33/507163333.db2.gz QXGVMYZWWOOVSV-JONQDZQNSA-N 0 3 365.474 3.142 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594603363 507205165 /nfs/dbraw/zinc/20/51/65/507205165.db2.gz UOFLDQZZTAEHQD-NWDGAFQWSA-N 0 3 355.236 3.181 20 5 FGBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1cccs1 ZINC000601099857 507261913 /nfs/dbraw/zinc/26/19/13/507261913.db2.gz GWNHYJXOEUBVEB-QMMMGPOBSA-N 0 3 363.365 3.123 20 5 FGBDHN Cc1cc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000598195580 507308027 /nfs/dbraw/zinc/30/80/27/507308027.db2.gz OSTFHFPPWZRYIC-IBGZPJMESA-N 0 3 367.449 3.292 20 5 FGBDHN CCSc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591768785 507354405 /nfs/dbraw/zinc/35/44/05/507354405.db2.gz RZNKCHGCXJFRRU-HNNXBMFYSA-N 0 3 362.451 3.236 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000595052224 507369757 /nfs/dbraw/zinc/36/97/57/507369757.db2.gz RLMKKNLIKZZNGR-BOUXLOLZSA-N 0 3 356.422 3.420 20 5 FGBDHN COCc1csc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000595077157 507381051 /nfs/dbraw/zinc/38/10/51/507381051.db2.gz MPYRTHSRQSLTMI-GFCCVEGCSA-N 0 3 363.439 3.310 20 5 FGBDHN CCOc1ccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1OCC ZINC000610782583 507388086 /nfs/dbraw/zinc/38/80/86/507388086.db2.gz FHBAJPJGTYAVCI-ZDUSSCGKSA-N 0 3 362.430 3.248 20 5 FGBDHN CCc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595256142 507441115 /nfs/dbraw/zinc/44/11/15/507441115.db2.gz BMLPAHLURAMTPF-GOSISDBHSA-N 0 3 355.394 3.070 20 5 FGBDHN CC(C)c1ccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000601775490 507454076 /nfs/dbraw/zinc/45/40/76/507454076.db2.gz FFOQNPOOCMPYKQ-UHFFFAOYSA-N 0 3 371.441 3.434 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598576716 507499681 /nfs/dbraw/zinc/49/96/81/507499681.db2.gz YXRLRHSDWAVTOY-HNNXBMFYSA-N 0 3 351.472 3.167 20 5 FGBDHN COC(=O)c1ccnc(NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000598586883 507507216 /nfs/dbraw/zinc/50/72/16/507507216.db2.gz KBZLVTZVXBDOCN-INIZCTEOSA-N 0 3 370.409 3.025 20 5 FGBDHN COC(=O)c1ccnc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598589902 507508084 /nfs/dbraw/zinc/50/80/84/507508084.db2.gz VPQFOLQETYFXFU-DZGCQCFKSA-N 0 3 370.409 3.024 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592155180 507512309 /nfs/dbraw/zinc/51/23/09/507512309.db2.gz LLQDRPSEIAPENU-NVXWUHKLSA-N 0 3 353.422 3.294 20 5 FGBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000595631333 507602788 /nfs/dbraw/zinc/60/27/88/507602788.db2.gz HJOOXTUSJLCJTO-ZTFGCOKTSA-N 0 3 366.458 3.038 20 5 FGBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000585756166 507617813 /nfs/dbraw/zinc/61/78/13/507617813.db2.gz POZAIDYOIYKAAQ-HXUWFJFHSA-N 0 3 369.465 3.222 20 5 FGBDHN CN1CCO[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]21 ZINC000585767641 507622760 /nfs/dbraw/zinc/62/27/60/507622760.db2.gz XREZOFLOWIGMEU-ZWKOTPCHSA-N 0 3 373.478 3.228 20 5 FGBDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(-n3cnnn3)c2)cc1[N+](=O)[O-] ZINC000611336120 507627334 /nfs/dbraw/zinc/62/73/34/507627334.db2.gz LQXGINNSVCVDER-KBPBESRZSA-N 0 3 352.398 3.291 20 5 FGBDHN COc1ccc([C@H](CNc2sccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000611410988 507669661 /nfs/dbraw/zinc/66/96/61/507669661.db2.gz GNDQQEYHPFYOAN-ZDUSSCGKSA-N 0 3 351.428 3.388 20 5 FGBDHN O=C(CCN1CCC([C@H]2CCCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595785523 507683626 /nfs/dbraw/zinc/68/36/26/507683626.db2.gz XGHYWGPWMKTMKA-GOSISDBHSA-N 0 3 361.442 3.205 20 5 FGBDHN COc1cccc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000595851332 507714029 /nfs/dbraw/zinc/71/40/29/507714029.db2.gz NLJVHPMUXKTZJD-MRXNPFEDSA-N 0 3 372.421 3.012 20 5 FGBDHN CC(C)(CO)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602558687 507747623 /nfs/dbraw/zinc/74/76/23/507747623.db2.gz MVAXNFVOLNUHGW-UHFFFAOYSA-N 0 3 351.266 3.307 20 5 FGBDHN CC[C@H](C)N[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000588067096 507750609 /nfs/dbraw/zinc/75/06/09/507750609.db2.gz RPCKGQWCCMJHKB-BLLLJJGKSA-N 0 3 355.398 3.094 20 5 FGBDHN COc1ccc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000136152985 704859054 /nfs/dbraw/zinc/85/90/54/704859054.db2.gz NXDWWROLLBGLHW-OAHLLOKOSA-N 0 3 354.765 3.219 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000154658469 705044266 /nfs/dbraw/zinc/04/42/66/705044266.db2.gz SXZSDUDLAMSYGA-GOSISDBHSA-N 0 3 364.829 3.166 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000183022850 705874704 /nfs/dbraw/zinc/87/47/04/705874704.db2.gz NQHIIAAMATXGQL-WDEREUQCSA-N 0 3 356.831 3.400 20 5 FGBDHN COCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[C@@H](C)C1 ZINC000616742545 714597239 /nfs/dbraw/zinc/59/72/39/714597239.db2.gz DLTGWCBKRWPCFE-HIFRSBDPSA-N 0 3 350.415 3.003 20 5 FGBDHN COc1ccc(COC(=O)C(C)(C)N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000754880576 722947411 /nfs/dbraw/zinc/94/74/11/722947411.db2.gz XYMSBZXZLYAKGJ-UHFFFAOYSA-N 0 3 350.415 3.300 20 5 FGBDHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000775348787 723984797 /nfs/dbraw/zinc/98/47/97/723984797.db2.gz WZNUUYBKHHGEOX-NWDGAFQWSA-N 0 3 355.822 3.205 20 5 FGBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000808350480 725196265 /nfs/dbraw/zinc/19/62/65/725196265.db2.gz VTLMKTHADNLEQW-UHFFFAOYSA-N 0 3 370.814 3.078 20 5 FGBDHN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103105 726838878 /nfs/dbraw/zinc/83/88/78/726838878.db2.gz NSZBNOUXYWZYCS-JTQLQIEISA-N 0 3 366.370 3.270 20 5 FGBDHN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103152 726839218 /nfs/dbraw/zinc/83/92/18/726839218.db2.gz AIWJFCMETKRQBB-MRVPVSSYSA-N 0 3 358.272 3.491 20 5 FGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000813104710 726839490 /nfs/dbraw/zinc/83/94/90/726839490.db2.gz GDHVIYDGOBKQHY-VIFPVBQESA-N 0 3 358.181 3.310 20 5 FGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000825040843 729368750 /nfs/dbraw/zinc/36/87/50/729368750.db2.gz VIIMIWARFYRXJB-YPMHNXCESA-N 0 3 371.231 3.179 20 5 FGBDHN Cc1cc(Cl)c(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000825521852 729386612 /nfs/dbraw/zinc/38/66/12/729386612.db2.gz FRBDHURNDHLKLI-UHFFFAOYSA-N 0 3 361.829 3.418 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000840847879 730182884 /nfs/dbraw/zinc/18/28/84/730182884.db2.gz QIIJXVYKKYIENF-UHFFFAOYSA-N 0 3 364.496 3.417 20 5 FGBDHN CC([C@H](OC(=O)CSCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845873983 730904897 /nfs/dbraw/zinc/90/48/97/730904897.db2.gz FSFJMMULRIOPRQ-UFBFGSQYSA-N 0 3 355.309 3.371 20 5 FGBDHN CC([C@@H](OC(=O)CCOCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845875405 730905139 /nfs/dbraw/zinc/90/51/39/730905139.db2.gz MEERXWNLSKALBT-NOZJJQNGSA-N 0 3 353.268 3.044 20 5 FGBDHN CNc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(Cl)n1 ZINC000845875963 730905212 /nfs/dbraw/zinc/90/52/12/730905212.db2.gz MILMPACKSOSNMX-RFAUZJTJSA-N 0 3 367.764 3.479 20 5 FGBDHN C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850578275 731375290 /nfs/dbraw/zinc/37/52/90/731375290.db2.gz IXHRCVLGZDNCHM-VXGBXAGGSA-N 0 3 352.435 3.083 20 5 FGBDHN CC(COC(=O)c1scc(Br)c1Br)[N+](=O)[O-] ZINC000860776658 732570089 /nfs/dbraw/zinc/57/00/89/732570089.db2.gz GJOYIWUYGMYNKC-BYPYZUCNSA-N 0 3 373.022 3.095 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000872217379 735604146 /nfs/dbraw/zinc/60/41/46/735604146.db2.gz URTUMTSTLRYHDI-DLBZAZTESA-N 0 3 368.792 3.134 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874834936 735937379 /nfs/dbraw/zinc/93/73/79/735937379.db2.gz VXNUYMDVAZLOHY-HOTGVXAUSA-N 0 3 363.483 3.404 20 5 FGBDHN O=C(CNC1([C@H]2CCCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879734192 737039177 /nfs/dbraw/zinc/03/91/77/737039177.db2.gz IXXQREJRAJHIDL-OAHLLOKOSA-N 0 3 367.833 3.268 20 5 FGBDHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880515049 737183243 /nfs/dbraw/zinc/18/32/43/737183243.db2.gz LKGPCGMVYQRWOT-JGFGOQIWSA-N 0 3 367.833 3.267 20 5 FGBDHN C[C@H](CS(=O)(=O)c1ccccc1)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466076 742681448 /nfs/dbraw/zinc/68/14/48/742681448.db2.gz NKKWFVPQJSLERX-LSDHHAIUSA-N 0 3 362.451 3.150 20 5 FGBDHN CCOC(=O)C1([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000933879716 761488669 /nfs/dbraw/zinc/48/86/69/761488669.db2.gz QFJHZWQFMRJOBT-LBPRGKRZSA-N 0 3 370.833 3.086 20 5 FGBDHN C[C@H]1CCc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573727162 505605496 /nfs/dbraw/zinc/60/54/96/505605496.db2.gz OIYFJRVQBMOUTO-LIRRHRJNSA-N 0 3 374.462 3.282 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000080903352 493788762 /nfs/dbraw/zinc/78/87/62/493788762.db2.gz RKVNLMOSLRPBHE-BFUOFWGJSA-N 0 3 363.458 3.009 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029177824 493823340 /nfs/dbraw/zinc/82/33/40/493823340.db2.gz DCQYTFHESDIXMB-SFHVURJKSA-N 0 3 353.422 3.470 20 5 FGBDHN O=C(NC1CCN(C2CC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050556656 493921064 /nfs/dbraw/zinc/92/10/64/493921064.db2.gz WQAIJUWPHCZCOU-UHFFFAOYSA-N 0 3 372.450 3.075 20 5 FGBDHN COCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061554638 493982297 /nfs/dbraw/zinc/98/22/97/493982297.db2.gz YWRLXJHEFZXXMG-UHFFFAOYSA-N 0 3 352.394 3.184 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000062229957 494006471 /nfs/dbraw/zinc/00/64/71/494006471.db2.gz BZNVQBWBWXDUCT-HNNXBMFYSA-N 0 3 359.451 3.298 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000033083931 494042738 /nfs/dbraw/zinc/04/27/38/494042738.db2.gz YEVXHAAJZFLYCO-UHFFFAOYSA-N 0 3 359.451 3.065 20 5 FGBDHN CNC(=O)c1ccc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053580400 494149752 /nfs/dbraw/zinc/14/97/52/494149752.db2.gz JSEHYOYOEOFKHF-PBHICJAKSA-N 0 3 368.437 3.202 20 5 FGBDHN CNC(=O)c1ccc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053580397 494149955 /nfs/dbraw/zinc/14/99/55/494149955.db2.gz JSEHYOYOEOFKHF-YOEHRIQHSA-N 0 3 368.437 3.202 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000087101318 494171594 /nfs/dbraw/zinc/17/15/94/494171594.db2.gz MRPQBQHCSOMVAA-LJQANCHMSA-N 0 3 367.449 3.308 20 5 FGBDHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054205544 494206575 /nfs/dbraw/zinc/20/65/75/494206575.db2.gz UTOXISGOWFRMCE-QGZVFWFLSA-N 0 3 368.437 3.457 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OCC(C)C)CC1 ZINC000054321842 494220983 /nfs/dbraw/zinc/22/09/83/494220983.db2.gz AHZAIYHIDWHANW-UHFFFAOYSA-N 0 3 363.458 3.369 20 5 FGBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000043148266 494270236 /nfs/dbraw/zinc/27/02/36/494270236.db2.gz LVLPJCORAICUJL-UHFFFAOYSA-N 0 3 356.426 3.499 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571344421 505711388 /nfs/dbraw/zinc/71/13/88/505711388.db2.gz INEZPQDLOCUMSU-RBUKOAKNSA-N 0 3 355.438 3.483 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055406527 494339173 /nfs/dbraw/zinc/33/91/73/494339173.db2.gz KPHSHKNKIJVVBV-HZPDHXFCSA-N 0 3 374.485 3.045 20 5 FGBDHN CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000015624486 494363211 /nfs/dbraw/zinc/36/32/11/494363211.db2.gz QODHPZIBRXPPHQ-UHFFFAOYSA-N 0 3 351.472 3.068 20 5 FGBDHN CN(Cc1cc2ccccc2o1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080070895 494585833 /nfs/dbraw/zinc/58/58/33/494585833.db2.gz HCPCQAIJLINXNM-INIZCTEOSA-N 0 3 356.378 3.213 20 5 FGBDHN Cn1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172492 494629111 /nfs/dbraw/zinc/62/91/11/494629111.db2.gz BLGMSOBXVVTXSQ-OAHLLOKOSA-N 0 3 366.425 3.098 20 5 FGBDHN C[C@@H]1CN(CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000092587087 494678429 /nfs/dbraw/zinc/67/84/29/494678429.db2.gz CJUDJNVAPUVXDK-JORFTBQQSA-N 0 3 373.497 3.429 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCC1CCN(c2ccncc2)CC1 ZINC000092696240 494714351 /nfs/dbraw/zinc/71/43/51/494714351.db2.gz FUEGXIKTGKPEOJ-UHFFFAOYSA-N 0 3 355.442 3.436 20 5 FGBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1CN1CCCCC1 ZINC000068132470 494772391 /nfs/dbraw/zinc/77/23/91/494772391.db2.gz SKPHVDYSRMVKKW-HNNXBMFYSA-N 0 3 356.426 3.167 20 5 FGBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1CN1CCCCC1 ZINC000068132688 494773351 /nfs/dbraw/zinc/77/33/51/494773351.db2.gz XJMJUIZVVMVDIO-HNNXBMFYSA-N 0 3 356.426 3.167 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000026225012 494810562 /nfs/dbraw/zinc/81/05/62/494810562.db2.gz OKMLYYFWOMPEJC-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN Cc1ccccc1CN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027391011 494866205 /nfs/dbraw/zinc/86/62/05/494866205.db2.gz AFRNMYXSWQIKPZ-UHFFFAOYSA-N 0 3 367.449 3.180 20 5 FGBDHN CCc1nn(C)c(NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000094131593 494952561 /nfs/dbraw/zinc/95/25/61/494952561.db2.gz LDPBNYJDUMTPIT-KRWDZBQOSA-N 0 3 373.457 3.148 20 5 FGBDHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC)cc1 ZINC000127745210 494991190 /nfs/dbraw/zinc/99/11/90/494991190.db2.gz MKEVZJBOHTYVIV-SFHVURJKSA-N 0 3 369.421 3.233 20 5 FGBDHN C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000111474011 495079637 /nfs/dbraw/zinc/07/96/37/495079637.db2.gz LGUVFKMCFPALSR-JKSUJKDBSA-N 0 3 370.453 3.476 20 5 FGBDHN CN1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000101986802 495112774 /nfs/dbraw/zinc/11/27/74/495112774.db2.gz SDSQOWNTKDYCSY-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN O=C(CCN1CCC(C(F)(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128747242 495144186 /nfs/dbraw/zinc/14/41/86/495144186.db2.gz GSVDRPKDSBDIPI-UHFFFAOYSA-N 0 3 363.311 3.337 20 5 FGBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000119884920 495261612 /nfs/dbraw/zinc/26/16/12/495261612.db2.gz LOBKNTQAAPMDOZ-AWEZNQCLSA-N 0 3 363.483 3.454 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccco1 ZINC000574427594 505770992 /nfs/dbraw/zinc/77/09/92/505770992.db2.gz AOLLKUIDBPVZBZ-WFASDCNBSA-N 0 3 360.414 3.089 20 5 FGBDHN O=c1cc(CN2CCC[C@@H](Cn3ccnn3)C2)c2c(ccc3ccccc32)o1 ZINC000119903867 495266768 /nfs/dbraw/zinc/26/67/68/495266768.db2.gz SXKIEWIIHKMGNR-MRXNPFEDSA-N 0 3 374.444 3.450 20 5 FGBDHN COc1cc(CNCC(C)(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000136073895 495355046 /nfs/dbraw/zinc/35/50/46/495355046.db2.gz LVUJNPFHKSMKHR-UHFFFAOYSA-N 0 3 374.437 3.291 20 5 FGBDHN CC(C)[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120519097 495396786 /nfs/dbraw/zinc/39/67/86/495396786.db2.gz FQYZDCUFPWQWQY-IRXDYDNUSA-N 0 3 354.472 3.173 20 5 FGBDHN COc1ccc(CNCC[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000114771899 495423882 /nfs/dbraw/zinc/42/38/82/495423882.db2.gz MBWOBENIAACFAJ-AWEZNQCLSA-N 0 3 360.410 3.043 20 5 FGBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130718258 495435629 /nfs/dbraw/zinc/43/56/29/495435629.db2.gz MQDCEBQKHJCSAY-QGZVFWFLSA-N 0 3 371.441 3.409 20 5 FGBDHN CN(CCc1ccccn1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000120825525 495465440 /nfs/dbraw/zinc/46/54/40/495465440.db2.gz RMWIYDFLVXTBPI-UHFFFAOYSA-N 0 3 350.216 3.427 20 5 FGBDHN COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000130938673 495469375 /nfs/dbraw/zinc/46/93/75/495469375.db2.gz HRMPNMVTLOSYMJ-YJYMSZOUSA-N 0 3 360.410 3.305 20 5 FGBDHN CC[C@@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182376643 495537941 /nfs/dbraw/zinc/53/79/41/495537941.db2.gz JXOFWMZRPRASML-DGCLKSJQSA-N 0 3 360.357 3.252 20 5 FGBDHN CC(C)Oc1cccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182399515 495548096 /nfs/dbraw/zinc/54/80/96/495548096.db2.gz HVRGGBHHBDAFGH-WBVHZDCISA-N 0 3 374.437 3.473 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3ccccc3)CCCC2)cc1 ZINC000182421667 495557574 /nfs/dbraw/zinc/55/75/74/495557574.db2.gz JTRKUZOMHOTMAN-UHFFFAOYSA-N 0 3 374.462 3.428 20 5 FGBDHN CC[C@H](NCCCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158678534 495565411 /nfs/dbraw/zinc/56/54/11/495565411.db2.gz DABKPIQHNRZRJI-SFHVURJKSA-N 0 3 362.451 3.500 20 5 FGBDHN CC(C)c1ccc(CN2CCN(CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000179626445 495666194 /nfs/dbraw/zinc/66/61/94/495666194.db2.gz UUCXMBHBMGLKOS-UHFFFAOYSA-N 0 3 361.486 3.262 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000170972269 495673527 /nfs/dbraw/zinc/67/35/27/495673527.db2.gz JXXVBBIUWRZYCS-UHFFFAOYSA-N 0 3 360.385 3.408 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171014270 495690013 /nfs/dbraw/zinc/69/00/13/495690013.db2.gz QUGHZASNKWMMOD-UHFFFAOYSA-N 0 3 356.426 3.022 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000176554212 495697031 /nfs/dbraw/zinc/69/70/31/495697031.db2.gz JEZPCGNIYNFRQF-UHFFFAOYSA-N 0 3 374.388 3.248 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182891403 495744698 /nfs/dbraw/zinc/74/46/98/495744698.db2.gz BSOWBSHKLIGASN-HKUYNNGSSA-N 0 3 360.502 3.066 20 5 FGBDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176707176 495756328 /nfs/dbraw/zinc/75/63/28/495756328.db2.gz HVOPKMAEGVMHAP-ZMZPIMSZSA-N 0 3 365.345 3.310 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000182957960 495774441 /nfs/dbraw/zinc/77/44/41/495774441.db2.gz ZDRACOMRPNQFRN-QGZVFWFLSA-N 0 3 361.486 3.480 20 5 FGBDHN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(OCCN(C)C)c1 ZINC000151313237 495802617 /nfs/dbraw/zinc/80/26/17/495802617.db2.gz WRBASSRDLCRGMX-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN CC(C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000179987493 495812612 /nfs/dbraw/zinc/81/26/12/495812612.db2.gz MGCFGLCTCYIVMP-HXUWFJFHSA-N 0 3 369.465 3.385 20 5 FGBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCC(C)C ZINC000180086306 495852269 /nfs/dbraw/zinc/85/22/69/495852269.db2.gz ZRDVYJDBWDKCNJ-AWEZNQCLSA-N 0 3 362.430 3.186 20 5 FGBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000183154525 495857602 /nfs/dbraw/zinc/85/76/02/495857602.db2.gz PAEVLXVLYMSLMW-AUUYWEPGSA-N 0 3 352.394 3.165 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000183292719 495917984 /nfs/dbraw/zinc/91/79/84/495917984.db2.gz JXCXUZKJFOALSV-UHFFFAOYSA-N 0 3 359.470 3.374 20 5 FGBDHN COc1cc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000151693952 495921932 /nfs/dbraw/zinc/92/19/32/495921932.db2.gz YGKPFSNCUBNZES-ZIAGYGMSSA-N 0 3 360.410 3.386 20 5 FGBDHN CCN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186307975 495940738 /nfs/dbraw/zinc/94/07/38/495940738.db2.gz PQVRAQGXKRRIKE-QGZVFWFLSA-N 0 3 353.422 3.331 20 5 FGBDHN COc1ccc([C@H](C)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000180344468 495960089 /nfs/dbraw/zinc/96/00/89/495960089.db2.gz HUEZRGQLVHVSSX-ZBFHGGJFSA-N 0 3 356.426 3.288 20 5 FGBDHN CSc1cccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000186478520 496013337 /nfs/dbraw/zinc/01/33/37/496013337.db2.gz ADRWYOCBIPFUJL-AWEZNQCLSA-N 0 3 371.462 3.450 20 5 FGBDHN COc1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000155951266 496115671 /nfs/dbraw/zinc/11/56/71/496115671.db2.gz QXAHQDMKTUBGEH-IBGZPJMESA-N 0 3 356.422 3.377 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)c2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000177846491 496220998 /nfs/dbraw/zinc/22/09/98/496220998.db2.gz BBMZTGRYAWYOIJ-OAHLLOKOSA-N 0 3 371.437 3.335 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000180999887 496235613 /nfs/dbraw/zinc/23/56/13/496235613.db2.gz XVKFSNGFTBEWMS-LJQANCHMSA-N 0 3 359.401 3.417 20 5 FGBDHN COCCCN(C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000172669004 496380009 /nfs/dbraw/zinc/38/00/09/496380009.db2.gz ALSPBVKTUJQHEP-UHFFFAOYSA-N 0 3 351.450 3.086 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178309422 496407597 /nfs/dbraw/zinc/40/75/97/496407597.db2.gz MUALDDGUACNBIA-DOMZBBRYSA-N 0 3 359.451 3.366 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nn(C)c2ccccc12 ZINC000187385088 496420998 /nfs/dbraw/zinc/42/09/98/496420998.db2.gz BLKNAOXYESDYQB-UHFFFAOYSA-N 0 3 354.410 3.213 20 5 FGBDHN Cc1c(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000580813673 505843625 /nfs/dbraw/zinc/84/36/25/505843625.db2.gz KEXQOCMJNXOPPI-UTKZUKDTSA-N 0 3 370.449 3.445 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000163014706 496450316 /nfs/dbraw/zinc/45/03/16/496450316.db2.gz GSBMGOIDLHLDBS-VNHYZAJKSA-N 0 3 355.394 3.076 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000153474028 496466281 /nfs/dbraw/zinc/46/62/81/496466281.db2.gz MSQHEEYAERFBCU-CQSZACIVSA-N 0 3 363.458 3.341 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCOC3)o2)c(Br)c1 ZINC000178995963 496638884 /nfs/dbraw/zinc/63/88/84/496638884.db2.gz NCAKUEXHPWVPKU-JTQLQIEISA-N 0 3 367.199 3.496 20 5 FGBDHN CC(C)Oc1cccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182256794 496720862 /nfs/dbraw/zinc/72/08/62/496720862.db2.gz BQCKKZRSNOFJCU-KRWDZBQOSA-N 0 3 374.437 3.254 20 5 FGBDHN Cc1cccc(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000188375986 496768973 /nfs/dbraw/zinc/76/89/73/496768973.db2.gz UQEPHPLSNBKRHX-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN COCC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000273332696 496776605 /nfs/dbraw/zinc/77/66/05/496776605.db2.gz ZSJRRAZZZDATMX-INIZCTEOSA-N 0 3 361.398 3.192 20 5 FGBDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497816 496784987 /nfs/dbraw/zinc/78/49/87/496784987.db2.gz KJWFTSJVJNXNCT-OAHLLOKOSA-N 0 3 373.457 3.093 20 5 FGBDHN COc1ccc(CN[C@H](C)c2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000268788711 496787483 /nfs/dbraw/zinc/78/74/83/496787483.db2.gz BBGOHXHJUFFTED-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN COc1cc(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC000191721917 496866905 /nfs/dbraw/zinc/86/69/05/496866905.db2.gz MDHXGLSONADDGB-VBKZILBWSA-N 0 3 374.437 3.028 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N2CCCCC2)C1 ZINC000264619609 496946378 /nfs/dbraw/zinc/94/63/78/496946378.db2.gz RGRARMRUVNLESO-YOEHRIQHSA-N 0 3 371.441 3.266 20 5 FGBDHN COc1ccc(CN2CCC(CNc3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC000195511519 496947905 /nfs/dbraw/zinc/94/79/05/496947905.db2.gz IQHSLBWPYWCXPF-UHFFFAOYSA-N 0 3 362.455 3.384 20 5 FGBDHN C[C@H](N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248074196 496952361 /nfs/dbraw/zinc/95/23/61/496952361.db2.gz MUAAQWYFWBXEEN-NBHGPNQESA-N 0 3 369.465 3.128 20 5 FGBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248458708 497019093 /nfs/dbraw/zinc/01/90/93/497019093.db2.gz QNYKPCXGGBWLFB-YPMHNXCESA-N 0 3 369.874 3.035 20 5 FGBDHN O=C(CCN(Cc1ccccn1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189314168 497078380 /nfs/dbraw/zinc/07/83/80/497078380.db2.gz RMAIJFXYRZWSQI-UHFFFAOYSA-N 0 3 358.373 3.122 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248687344 497080161 /nfs/dbraw/zinc/08/01/61/497080161.db2.gz AQFDGFPIRRZYFG-NVXWUHKLSA-N 0 3 353.422 3.154 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC1CCN(c2ccncc2)CC1 ZINC000192738599 497200163 /nfs/dbraw/zinc/20/01/63/497200163.db2.gz CTTWPUJCQVAYMG-UHFFFAOYSA-N 0 3 372.473 3.258 20 5 FGBDHN O=C(CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 ZINC000192787884 497214129 /nfs/dbraw/zinc/21/41/29/497214129.db2.gz OEIGRZCEKKFBBR-LJQANCHMSA-N 0 3 353.422 3.268 20 5 FGBDHN O=C(NCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc([O-])c1 ZINC000192801741 497217822 /nfs/dbraw/zinc/21/78/22/497217822.db2.gz JDLZIGPQBAXVIG-LJQANCHMSA-N 0 3 369.421 3.088 20 5 FGBDHN CC(C)N1CCN(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270951565 497232023 /nfs/dbraw/zinc/23/20/23/497232023.db2.gz SWZUVDJUSIMMKG-KRWDZBQOSA-N 0 3 360.502 3.146 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000193244758 497331980 /nfs/dbraw/zinc/33/19/80/497331980.db2.gz NYGATGKZIHHIQN-UHFFFAOYSA-N 0 3 353.422 3.081 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000271395331 497338257 /nfs/dbraw/zinc/33/82/57/497338257.db2.gz OJRABZFKWSFYPC-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000193559474 497413414 /nfs/dbraw/zinc/41/34/14/497413414.db2.gz OMXCACJDNXALFS-SFHVURJKSA-N 0 3 354.410 3.194 20 5 FGBDHN COc1cccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000271679859 497417044 /nfs/dbraw/zinc/41/70/44/497417044.db2.gz OTNKIBGKXITEKN-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN CC[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245627312 497480555 /nfs/dbraw/zinc/48/05/55/497480555.db2.gz YSJTZUWWYBTDDM-NJYVYQBISA-N 0 3 369.465 3.271 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381295 497538409 /nfs/dbraw/zinc/53/84/09/497538409.db2.gz GYBVAPRDPMIZEZ-OXJNMPFZSA-N 0 3 367.449 3.164 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495575 497567075 /nfs/dbraw/zinc/56/70/75/497567075.db2.gz XBLSLESDXTYZPV-APWZRJJASA-N 0 3 367.449 3.164 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272402491 497619421 /nfs/dbraw/zinc/61/94/21/497619421.db2.gz XQOLYAOPALHQAD-LLVKDONJSA-N 0 3 354.838 3.442 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000280075907 497640798 /nfs/dbraw/zinc/64/07/98/497640798.db2.gz VKTJQCROFKVFLZ-HOCLYGCPSA-N 0 3 357.435 3.413 20 5 FGBDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246283763 497683826 /nfs/dbraw/zinc/68/38/26/497683826.db2.gz AVADKVRZHKKTTO-SWLSCSKDSA-N 0 3 365.455 3.101 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000194834337 497785494 /nfs/dbraw/zinc/78/54/94/497785494.db2.gz QUAFFKJIOPDAOR-RDJZCZTQSA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000246695446 497801164 /nfs/dbraw/zinc/80/11/64/497801164.db2.gz KRVYEAOMUFEXOV-CHWSQXEVSA-N 0 3 353.850 3.027 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(c2cccnc2)C1 ZINC000295939790 497861369 /nfs/dbraw/zinc/86/13/69/497861369.db2.gz KXLVHQJMSWUNIE-UHFFFAOYSA-N 0 3 366.421 3.416 20 5 FGBDHN C[C@@H](NCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000299684852 497894097 /nfs/dbraw/zinc/89/40/97/497894097.db2.gz NICKVOFWLSJYPI-GFCCVEGCSA-N 0 3 357.366 3.003 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000280953277 497964226 /nfs/dbraw/zinc/96/42/26/497964226.db2.gz GNYPIKWPNSHVNN-UKRRQHHQSA-N 0 3 357.435 3.413 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H](CO)c2ccccc21 ZINC000364455442 497966397 /nfs/dbraw/zinc/96/63/97/497966397.db2.gz OLWFVALLDMCVJO-PJIJBLCYSA-N 0 3 369.421 3.122 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3ncc(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000301461653 498119460 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3.284 20 5 FGBDHN CC(C)C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000431514683 500387120 /nfs/dbraw/zinc/38/71/20/500387120.db2.gz SNVGGONMAFZCAC-CQSZACIVSA-N 0 3 372.263 3.063 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc(N3CCNC(C)(C)C3)c([N+](=O)[O-])c2)cc1 ZINC000420272618 500431796 /nfs/dbraw/zinc/43/17/96/500431796.db2.gz IHPGEQGVPJNZQQ-UHFFFAOYSA-N 0 3 368.437 3.344 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000424211880 500469187 /nfs/dbraw/zinc/46/91/87/500469187.db2.gz ZBEAUZATZDRQLU-PEGIJTEDSA-N 0 3 360.332 3.433 20 5 FGBDHN O=C(CCN[C@H]1CCOc2c(F)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000576630994 506201816 /nfs/dbraw/zinc/20/18/16/506201816.db2.gz FJVMGUAAJKTDKZ-AWEZNQCLSA-N 0 3 359.357 3.176 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CCO)CC1 ZINC000421024938 500557978 /nfs/dbraw/zinc/55/79/78/500557978.db2.gz XQCACQLUSIOMGZ-ZIAGYGMSSA-N 0 3 360.414 3.190 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200921 500613233 /nfs/dbraw/zinc/61/32/33/500613233.db2.gz VUVNZYUYDCGXFB-NWDGAFQWSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](c3cccs3)N3CCCC3)nc2c1 ZINC000447678369 500643495 /nfs/dbraw/zinc/64/34/95/500643495.db2.gz ZFDNTNJNIGSQPR-HNNXBMFYSA-N 0 3 357.439 3.204 20 5 FGBDHN O=C1CCC[C@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000433199571 500646052 /nfs/dbraw/zinc/64/60/52/500646052.db2.gz DGMFUZAJBFUCMK-OAHLLOKOSA-N 0 3 373.384 3.285 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000447809849 500667445 /nfs/dbraw/zinc/66/74/45/500667445.db2.gz DFAKFFJAAOWTPW-QGZVFWFLSA-N 0 3 360.458 3.019 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)cn1 ZINC000433437439 500693487 /nfs/dbraw/zinc/69/34/87/500693487.db2.gz PEPSWDZTXKTMKZ-UHFFFAOYSA-N 0 3 360.389 3.084 20 5 FGBDHN CCOC(=O)c1cc(NC[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000433717062 500733321 /nfs/dbraw/zinc/73/33/21/500733321.db2.gz CCPDGDKJTVBWIM-SFHVURJKSA-N 0 3 357.410 3.486 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCCN1C1CC1 ZINC000433918530 500764725 /nfs/dbraw/zinc/76/47/25/500764725.db2.gz KANHGUZOXTYENJ-HNNXBMFYSA-N 0 3 366.849 3.064 20 5 FGBDHN CCN(CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(C)C ZINC000444042954 500795616 /nfs/dbraw/zinc/79/56/16/500795616.db2.gz LMCFHMRSPOICQO-UHFFFAOYSA-N 0 3 369.440 3.281 20 5 FGBDHN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000448705245 500809374 /nfs/dbraw/zinc/80/93/74/500809374.db2.gz SHEBKEVRLKNQCY-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN NC(=O)c1cccc(NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000439128943 500860839 /nfs/dbraw/zinc/86/08/39/500860839.db2.gz IKMHPMOTALWINR-AWEZNQCLSA-N 0 3 360.439 3.004 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Br ZINC000602579313 506223102 /nfs/dbraw/zinc/22/31/02/506223102.db2.gz JFWZTNWMSBZDOK-YUSALJHKSA-N 0 3 373.272 3.466 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCCC2=O)c1 ZINC000449080151 500919322 /nfs/dbraw/zinc/91/93/22/500919322.db2.gz SYZJYAJDYZHYLC-HNNXBMFYSA-N 0 3 353.422 3.442 20 5 FGBDHN COC(=O)COc1ccc(CNC[C@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000449375642 500990033 /nfs/dbraw/zinc/99/00/33/500990033.db2.gz JCXCCMLIXMESEY-CYBMUJFWSA-N 0 3 372.368 3.062 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000449411665 500997598 /nfs/dbraw/zinc/99/75/98/500997598.db2.gz JWVGAWRGYJKWIB-OCRUZJPSSA-N 0 3 365.433 3.279 20 5 FGBDHN COc1cc(OC)c(C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449466666 501009235 /nfs/dbraw/zinc/00/92/35/501009235.db2.gz HXTTZJTZHYBQJG-CYBMUJFWSA-N 0 3 360.410 3.341 20 5 FGBDHN C[C@H](Cc1cnn(C)c1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449582135 501037786 /nfs/dbraw/zinc/03/77/86/501037786.db2.gz DSOKEIPDLRRMRR-GFCCVEGCSA-N 0 3 357.439 3.173 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000446102869 501075253 /nfs/dbraw/zinc/07/52/53/501075253.db2.gz KULJLLSKLNUDLR-DOTOQJQBSA-N 0 3 353.422 3.469 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000446347363 501108064 /nfs/dbraw/zinc/10/80/64/501108064.db2.gz YJZAIFIHQHUUKF-CQSZACIVSA-N 0 3 351.834 3.303 20 5 FGBDHN COc1cc(CN[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000441245863 501108611 /nfs/dbraw/zinc/10/86/11/501108611.db2.gz NUAZKWGYRVASQJ-AAEUAGOBSA-N 0 3 360.357 3.252 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000446491009 501125338 /nfs/dbraw/zinc/12/53/38/501125338.db2.gz SFYDTARVUZAXJV-UHFFFAOYSA-N 0 3 368.437 3.124 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CN(C)C1=O ZINC000598942930 506236519 /nfs/dbraw/zinc/23/65/19/506236519.db2.gz QXCAABKAVYPXPC-LIRRHRJNSA-N 0 3 353.422 3.219 20 5 FGBDHN CC(C)[C@H](O)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596064907 506238780 /nfs/dbraw/zinc/23/87/80/506238780.db2.gz CIPQWOUSEVHLFI-PMACEKPBSA-N 0 3 371.437 3.271 20 5 FGBDHN CC(C)n1ncc2c1C[C@@H](NCc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000602630474 506238876 /nfs/dbraw/zinc/23/88/76/506238876.db2.gz BXGRRHTVJMSDPD-ZDUSSCGKSA-N 0 3 355.398 3.161 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCC2 ZINC000450970603 501235898 /nfs/dbraw/zinc/23/58/98/501235898.db2.gz NUVGCWJUUARUAF-SJORKVTESA-N 0 3 361.442 3.169 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451428378 501290928 /nfs/dbraw/zinc/29/09/28/501290928.db2.gz WCYBSVYGQKCLGQ-YYQUZTFQSA-N 0 3 372.425 3.331 20 5 FGBDHN CCN1CCN([C@H](C)CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596078436 506245214 /nfs/dbraw/zinc/24/52/14/506245214.db2.gz PEVGQARMEZPZNZ-GFCCVEGCSA-N 0 3 360.380 3.052 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000451550412 501320916 /nfs/dbraw/zinc/32/09/16/501320916.db2.gz ROGDOCPHGITIOX-SJLPKXTDSA-N 0 3 374.412 3.353 20 5 FGBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCCN(C)C ZINC000458186971 501387391 /nfs/dbraw/zinc/38/73/91/501387391.db2.gz ATPYSNGURRYGQC-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)c1 ZINC000458205768 501392902 /nfs/dbraw/zinc/39/29/02/501392902.db2.gz YOEVVSQDGLLDQX-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN C[C@H](NC(=O)NC[C@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971851 506253559 /nfs/dbraw/zinc/25/35/59/506253559.db2.gz GZTJFQFRPPXQIZ-KBXCAEBGSA-N 0 3 360.458 3.362 20 5 FGBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000458889374 501553353 /nfs/dbraw/zinc/55/33/53/501553353.db2.gz NTQAWMZYCVQZFR-INIZCTEOSA-N 0 3 370.453 3.429 20 5 FGBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452856578 501575388 /nfs/dbraw/zinc/57/53/88/501575388.db2.gz PUEXNCMIMATPQL-IEBWSBKVSA-N 0 3 357.454 3.175 20 5 FGBDHN C[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CCN(C)CC1 ZINC000454777486 501627749 /nfs/dbraw/zinc/62/77/49/501627749.db2.gz QVTHMSGFTYIACT-CRAIPNDOSA-N 0 3 372.469 3.134 20 5 FGBDHN C[C@H]1CN(c2ccccc2CNCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000459418793 501650587 /nfs/dbraw/zinc/65/05/87/501650587.db2.gz JHTKYOQSKLPMFL-INIZCTEOSA-N 0 3 355.438 3.152 20 5 FGBDHN COc1ccc(CN2CC[C@H]2CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000598992732 506266930 /nfs/dbraw/zinc/26/69/30/506266930.db2.gz CDAFOKJRQULLJK-IBGZPJMESA-N 0 3 355.438 3.276 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)c2ncnc3ccc([N+](=O)[O-])cc32)c1 ZINC000611710875 506267176 /nfs/dbraw/zinc/26/71/76/506267176.db2.gz FUVRMRYBUPLHRX-UHFFFAOYSA-N 0 3 365.437 3.415 20 5 FGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474211174 501745669 /nfs/dbraw/zinc/74/56/69/501745669.db2.gz NCWYUWSQFHTMRX-GOSISDBHSA-N 0 3 355.438 3.180 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000481623429 501835158 /nfs/dbraw/zinc/83/51/58/501835158.db2.gz RYJOSNLYEZGLIO-UHFFFAOYSA-N 0 3 374.412 3.182 20 5 FGBDHN COc1cccc([C@@H](CNc2cc(OC)c(F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000467719226 501854378 /nfs/dbraw/zinc/85/43/78/501854378.db2.gz YREUGRQDHYVWQU-QGZVFWFLSA-N 0 3 363.389 3.466 20 5 FGBDHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000464077513 501890851 /nfs/dbraw/zinc/89/08/51/501890851.db2.gz SDEAHJXEGHETDK-KYNGSXCRSA-N 0 3 374.462 3.150 20 5 FGBDHN COc1c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000474697101 501924928 /nfs/dbraw/zinc/92/49/28/501924928.db2.gz LXKGDEDVQXZACT-QGZVFWFLSA-N 0 3 369.421 3.170 20 5 FGBDHN CC(C)N(C)C[C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000461030843 501993930 /nfs/dbraw/zinc/99/39/30/501993930.db2.gz RSZKUZQVIVDRSV-CQSZACIVSA-N 0 3 351.450 3.140 20 5 FGBDHN O=[N+]([O-])c1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000596167533 506289948 /nfs/dbraw/zinc/28/99/48/506289948.db2.gz JWWCYVXSPQCLMY-CYBMUJFWSA-N 0 3 359.348 3.279 20 5 FGBDHN Cc1c(CNC(=O)NC[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599040577 506290027 /nfs/dbraw/zinc/29/00/27/506290027.db2.gz KGAJFGKIMJTJQF-QGZVFWFLSA-N 0 3 360.458 3.109 20 5 FGBDHN COc1ccc(-c2ccc(CNCCOCC(F)F)o2)c([N+](=O)[O-])c1 ZINC000471534310 502057915 /nfs/dbraw/zinc/05/79/15/502057915.db2.gz XNFACGPRPWUKMJ-UHFFFAOYSA-N 0 3 356.325 3.235 20 5 FGBDHN CSc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000468478809 502073137 /nfs/dbraw/zinc/07/31/37/502073137.db2.gz KPIFWOFXXMZBAZ-OAHLLOKOSA-N 0 3 351.472 3.167 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468483643 502076358 /nfs/dbraw/zinc/07/63/58/502076358.db2.gz KTAYACPDLHDIKE-KRWDZBQOSA-N 0 3 360.458 3.019 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475301065 502125676 /nfs/dbraw/zinc/12/56/76/502125676.db2.gz KGHQOCPDWKSWIQ-SFHVURJKSA-N 0 3 353.422 3.250 20 5 FGBDHN COC(=O)COc1cccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468635898 502132532 /nfs/dbraw/zinc/13/25/32/502132532.db2.gz UXDOBRBMCDCIDP-OQLLNIDSSA-N 0 3 370.405 3.340 20 5 FGBDHN COc1ccc(-c2ccc(CNCc3ncccc3O)o2)c([N+](=O)[O-])c1 ZINC000475341422 502141183 /nfs/dbraw/zinc/14/11/83/502141183.db2.gz BPYFDJGBWXUYAR-UHFFFAOYSA-N 0 3 355.350 3.254 20 5 FGBDHN COc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944761 502179871 /nfs/dbraw/zinc/17/98/71/502179871.db2.gz SSNQRZGEKGYCIK-YJBOKZPZSA-N 0 3 370.409 3.170 20 5 FGBDHN CN(c1ccccc1)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475674406 502251031 /nfs/dbraw/zinc/25/10/31/502251031.db2.gz PYBRLHCSGZQMRM-FQEVSTJZSA-N 0 3 368.437 3.060 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475715932 502261985 /nfs/dbraw/zinc/26/19/85/502261985.db2.gz FOKTZPCUVQLVLP-MRXNPFEDSA-N 0 3 364.442 3.405 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000483087706 502268108 /nfs/dbraw/zinc/26/81/08/502268108.db2.gz JSJNZXLANDGQRH-HNNXBMFYSA-N 0 3 370.327 3.359 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000483137731 502288128 /nfs/dbraw/zinc/28/81/28/502288128.db2.gz VOKGSBKGUOBSKO-UHFFFAOYSA-N 0 3 361.829 3.290 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[C@@H](C)C1 ZINC000483408018 502378652 /nfs/dbraw/zinc/37/86/52/502378652.db2.gz OYZVZPIQDBIBOY-CZUORRHYSA-N 0 3 350.415 3.098 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CNc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462877102 502611115 /nfs/dbraw/zinc/61/11/15/502611115.db2.gz MMDJANPGYULWGF-ZLHKHBAESA-N 0 3 353.422 3.287 20 5 FGBDHN CNc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000462907460 502621826 /nfs/dbraw/zinc/62/18/26/502621826.db2.gz SHKAEOQEZGCMQD-GOSISDBHSA-N 0 3 368.437 3.203 20 5 FGBDHN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000470128600 502670472 /nfs/dbraw/zinc/67/04/72/502670472.db2.gz NRBLAZVZIZOQFA-KRWDZBQOSA-N 0 3 372.400 3.472 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137091 502674171 /nfs/dbraw/zinc/67/41/71/502674171.db2.gz REFRGVZVWVZEGO-ACJLOTCBSA-N 0 3 372.400 3.376 20 5 FGBDHN C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000470139269 502674856 /nfs/dbraw/zinc/67/48/56/502674856.db2.gz ZYQPINPEBYIKHC-ZDUSSCGKSA-N 0 3 360.389 3.376 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1NCC1(N2CCSCC2)CCCCC1 ZINC000484619981 502685104 /nfs/dbraw/zinc/68/51/04/502685104.db2.gz PATRSYOSNMURTK-UHFFFAOYSA-N 0 3 350.488 3.462 20 5 FGBDHN CC(C)(C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000470179405 502697680 /nfs/dbraw/zinc/69/76/80/502697680.db2.gz XENVIERMLPYEAO-HNNXBMFYSA-N 0 3 363.433 3.145 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000470181929 502698926 /nfs/dbraw/zinc/69/89/26/502698926.db2.gz HISWWEDUZHIABE-CFINBHSISA-N 0 3 359.470 3.482 20 5 FGBDHN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000484718922 502719353 /nfs/dbraw/zinc/71/93/53/502719353.db2.gz KICGNAUBCQTTAS-DNVCBOLYSA-N 0 3 370.453 3.128 20 5 FGBDHN CN(C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])cc1Cl ZINC000470495756 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CCCn1nccc1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000501546095 503035047 /nfs/dbraw/zinc/03/50/47/503035047.db2.gz MAIACEYYPRUCMV-UHFFFAOYSA-N 0 3 358.442 3.460 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000506260169 503080198 /nfs/dbraw/zinc/08/01/98/503080198.db2.gz PHPXURVRJWUMBS-KFWWJZLASA-N 0 3 365.499 3.312 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036389 506352072 /nfs/dbraw/zinc/35/20/72/506352072.db2.gz DSVQJDOPIFGUOF-KSSFIOAISA-N 0 3 371.412 3.228 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000510554404 503143180 /nfs/dbraw/zinc/14/31/80/503143180.db2.gz STVWMDVEYWEXIW-JLTOFOAXSA-N 0 3 373.428 3.392 20 5 FGBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599166461 506354988 /nfs/dbraw/zinc/35/49/88/506354988.db2.gz YJSMUJJYTRJQIE-NSHDSACASA-N 0 3 372.263 3.063 20 5 FGBDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759453 503258170 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FGBDHN O=[N+]([O-])c1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cs1 ZINC000593068461 506371467 /nfs/dbraw/zinc/37/14/67/506371467.db2.gz OMYFOWOYHQJHDR-MSOLQXFVSA-N 0 3 373.478 3.132 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000593069765 506372801 /nfs/dbraw/zinc/37/28/01/506372801.db2.gz UNLYIPKWWRODOP-SFTDATJTSA-N 0 3 367.449 3.070 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000499738448 503471110 /nfs/dbraw/zinc/47/11/10/503471110.db2.gz FBQIEWSMYJSLLM-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000508312027 503472279 /nfs/dbraw/zinc/47/22/79/503472279.db2.gz AORJSBZNUGCLEA-ILXRZTDVSA-N 0 3 365.499 3.312 20 5 FGBDHN CN1C(=O)C[C@H](NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000494231879 503508886 /nfs/dbraw/zinc/50/88/86/503508886.db2.gz WHIISKOBEMIPPS-PKOBYXMFSA-N 0 3 373.840 3.352 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000512369073 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FGBDHN COc1cc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540912802 503936177 /nfs/dbraw/zinc/93/61/77/503936177.db2.gz DZOIEVVQPJMDMH-PTEHBNRSSA-N 0 3 374.384 3.293 20 5 FGBDHN CCCN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544061088 503990987 /nfs/dbraw/zinc/99/09/87/503990987.db2.gz FLFNYSAGBADMGM-KRWDZBQOSA-N 0 3 362.401 3.386 20 5 FGBDHN CC1(c2ccccc2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544071711 503997314 /nfs/dbraw/zinc/99/73/14/503997314.db2.gz UYFCZSUBLHJITL-SFHVURJKSA-N 0 3 370.449 3.388 20 5 FGBDHN CCc1cc(N2CCN(C)[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537823961 504055016 /nfs/dbraw/zinc/05/50/16/504055016.db2.gz WQZMPTPAGUARSN-KGLIPLIRSA-N 0 3 355.442 3.143 20 5 FGBDHN Cc1csc([C@@H](C)NCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000544477408 504149848 /nfs/dbraw/zinc/14/98/48/504149848.db2.gz OSNFDKUKTJGCRP-LLVKDONJSA-N 0 3 362.411 3.009 20 5 FGBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 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GLOXZQDXQNLONX-UHFFFAOYSA-N 0 3 371.384 3.075 20 5 FGBDHN CC(C)N1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548689748 504529760 /nfs/dbraw/zinc/52/97/60/504529760.db2.gz CQEAYOQHNGDQPG-HNNXBMFYSA-N 0 3 363.461 3.141 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000520759670 504576323 /nfs/dbraw/zinc/57/63/23/504576323.db2.gz DUZWVTLLDJIMBY-HZPDHXFCSA-N 0 3 362.474 3.166 20 5 FGBDHN CN(CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccncc1 ZINC000542786332 504610720 /nfs/dbraw/zinc/61/07/20/504610720.db2.gz HABQZOYEVWQPKE-UHFFFAOYSA-N 0 3 354.410 3.007 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000542803070 504616604 /nfs/dbraw/zinc/61/66/04/504616604.db2.gz WCNKUUQEJVCJCH-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN CC(C)(CS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000545872505 504622074 /nfs/dbraw/zinc/62/20/74/504622074.db2.gz MPBCKRWPCOVXRC-UHFFFAOYSA-N 0 3 368.480 3.236 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]([C@H]4CCOC4)C3)co2)cc1 ZINC000536352717 504706843 /nfs/dbraw/zinc/70/68/43/504706843.db2.gz DHJFETGRUAHZEJ-HOTGVXAUSA-N 0 3 357.410 3.498 20 5 FGBDHN CC(C)c1ccc(CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000539862170 504721042 /nfs/dbraw/zinc/72/10/42/504721042.db2.gz GCQHNWSMVMZBJI-LJQANCHMSA-N 0 3 374.529 3.319 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000532655246 504726338 /nfs/dbraw/zinc/72/63/38/504726338.db2.gz UVTLSTUAMICRHL-NQIIRXRSSA-N 0 3 368.433 3.486 20 5 FGBDHN CC(C)c1[nH]nc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1[N+](=O)[O-] ZINC000532768584 504754993 /nfs/dbraw/zinc/75/49/93/504754993.db2.gz GOWWWDRSLFVNLP-UHFFFAOYSA-N 0 3 356.386 3.220 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC000553001809 504802616 /nfs/dbraw/zinc/80/26/16/504802616.db2.gz SLCGLOPLEJSRJI-DZGCQCFKSA-N 0 3 370.409 3.024 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccccc1CN1CCOCC1 ZINC000565214217 504827386 /nfs/dbraw/zinc/82/73/86/504827386.db2.gz CWNCXCYNPHDEDP-HXUWFJFHSA-N 0 3 367.449 3.204 20 5 FGBDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000553477863 504926374 /nfs/dbraw/zinc/92/63/74/504926374.db2.gz OQNHBOMXKGYJLP-XEQNPHJVSA-N 0 3 369.849 3.224 20 5 FGBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000565671479 504954272 /nfs/dbraw/zinc/95/42/72/504954272.db2.gz ODHZPXPWGPBCOC-UHFFFAOYSA-N 0 3 374.407 3.360 20 5 FGBDHN O=[N+]([O-])c1cccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000550321589 505021401 /nfs/dbraw/zinc/02/14/01/505021401.db2.gz ZOQJCQJUTFHSPM-UHFFFAOYSA-N 0 3 368.842 3.202 20 5 FGBDHN CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000560285700 505038532 /nfs/dbraw/zinc/03/85/32/505038532.db2.gz ZADWMXSARJMWCQ-WUTDNEBXSA-N 0 3 351.450 3.467 20 5 FGBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000550764669 505096953 /nfs/dbraw/zinc/09/69/53/505096953.db2.gz YCOOLXXGVGNKBE-MRXNPFEDSA-N 0 3 374.437 3.256 20 5 FGBDHN Cn1ccnc1[C@H](NC[C@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560536276 505118360 /nfs/dbraw/zinc/11/83/60/505118360.db2.gz JHRIVHCGSBMUBD-QZTJIDSGSA-N 0 3 371.485 3.128 20 5 FGBDHN CC[C@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560571525 505130433 /nfs/dbraw/zinc/13/04/33/505130433.db2.gz WMXXIGRPHLEHBZ-WMZOPIPTSA-N 0 3 360.458 3.316 20 5 FGBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000566384549 505159794 /nfs/dbraw/zinc/15/97/94/505159794.db2.gz LJEXPKQIUVZXLN-UHFFFAOYSA-N 0 3 359.348 3.219 20 5 FGBDHN C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000557838281 505242801 /nfs/dbraw/zinc/24/28/01/505242801.db2.gz ZPAYPCLQHKNQFD-HNNXBMFYSA-N 0 3 359.470 3.205 20 5 FGBDHN C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000557838283 505243318 /nfs/dbraw/zinc/24/33/18/505243318.db2.gz ZPAYPCLQHKNQFD-OAHLLOKOSA-N 0 3 359.470 3.205 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2COc3ccccc32)c1 ZINC000558140122 505318203 /nfs/dbraw/zinc/31/82/03/505318203.db2.gz WHLCEACNXWDNHZ-GFCCVEGCSA-N 0 3 350.321 3.462 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000561392909 505334097 /nfs/dbraw/zinc/33/40/97/505334097.db2.gz QSMOJYQGGOEYJX-IAOVAPTHSA-N 0 3 361.442 3.249 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000564372208 505397938 /nfs/dbraw/zinc/39/79/38/505397938.db2.gz URNZFHNZJBCQFN-QGZVFWFLSA-N 0 3 373.457 3.377 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561749279 505426121 /nfs/dbraw/zinc/42/61/21/505426121.db2.gz WOMWIHUDTIPMNJ-YWPYICTPSA-N 0 3 351.834 3.051 20 5 FGBDHN Cn1ccnc1[C@H](NC[C@@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552265365 505445352 /nfs/dbraw/zinc/44/53/52/505445352.db2.gz UXDMNFIZHCLHNQ-ZWKOTPCHSA-N 0 3 371.485 3.128 20 5 FGBDHN Cc1cc(NC[C@@]2(CO)C[C@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000564568713 505456080 /nfs/dbraw/zinc/45/60/80/505456080.db2.gz UDULRINQEGMNTQ-GHTZIAJQSA-N 0 3 363.417 3.451 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCN1CCCCC1 ZINC000593111522 506399906 /nfs/dbraw/zinc/39/99/06/506399906.db2.gz FWIWKHVQOJKIBR-AWEZNQCLSA-N 0 3 359.430 3.124 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCN1CCCCC1 ZINC000593111524 506400343 /nfs/dbraw/zinc/40/03/43/506400343.db2.gz FWIWKHVQOJKIBR-CQSZACIVSA-N 0 3 359.430 3.124 20 5 FGBDHN COc1cccc(CN(CCN(C)C)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000589198206 506479127 /nfs/dbraw/zinc/47/91/27/506479127.db2.gz REBUTNXERUEDRT-UHFFFAOYSA-N 0 3 357.454 3.476 20 5 FGBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1(F)F ZINC000599512139 506480414 /nfs/dbraw/zinc/48/04/14/506480414.db2.gz DCKPWOOXCYIVGU-RYUDHWBXSA-N 0 3 369.368 3.116 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599512576 506480720 /nfs/dbraw/zinc/48/07/20/506480720.db2.gz KRJWSPGTSDWJOE-VXGBXAGGSA-N 0 3 371.384 3.155 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514713 506482354 /nfs/dbraw/zinc/48/23/54/506482354.db2.gz YWZUJSNDRYYMIH-STQMWFEESA-N 0 3 355.385 3.455 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000589272800 506504526 /nfs/dbraw/zinc/50/45/26/506504526.db2.gz YWVHDKFTWFBHRM-FUHWJXTLSA-N 0 3 361.442 3.121 20 5 FGBDHN COc1cccc(C2(CNCc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c1 ZINC000589319558 506516508 /nfs/dbraw/zinc/51/65/08/506516508.db2.gz DBDVAXDKVACQID-UHFFFAOYSA-N 0 3 370.405 3.196 20 5 FGBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603458522 506519774 /nfs/dbraw/zinc/51/97/74/506519774.db2.gz OGSYXLHIEFCHBV-RDJZCZTQSA-N 0 3 374.485 3.045 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596676674 506526502 /nfs/dbraw/zinc/52/65/02/506526502.db2.gz AMEQVKUJZASYBG-HNNXBMFYSA-N 0 3 360.458 3.142 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000603589824 506567547 /nfs/dbraw/zinc/56/75/47/506567547.db2.gz GOQBFGMVPNIFSS-UHFFFAOYSA-N 0 3 372.425 3.106 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNCc1cccnc1 ZINC000583082916 506581217 /nfs/dbraw/zinc/58/12/17/506581217.db2.gz QLGASLVSKSWAMZ-UHFFFAOYSA-N 0 3 374.466 3.012 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448208 506624646 /nfs/dbraw/zinc/62/46/46/506624646.db2.gz KDJWXOURNRBTCC-UHFFFAOYSA-N 0 3 373.428 3.387 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000593467621 506637017 /nfs/dbraw/zinc/63/70/17/506637017.db2.gz LXJYYORFQACMEU-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN COc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000603865332 506641717 /nfs/dbraw/zinc/64/17/17/506641717.db2.gz YQIMRTGNXFNMDE-CALCHBBNSA-N 0 3 353.422 3.172 20 5 FGBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000604012607 506685324 /nfs/dbraw/zinc/68/53/24/506685324.db2.gz WEELUWQOUXPPRV-KRWDZBQOSA-N 0 3 358.394 3.136 20 5 FGBDHN O=C(CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccn1 ZINC000608836990 506721625 /nfs/dbraw/zinc/72/16/25/506721625.db2.gz HQTYSAWAVJISEU-UHFFFAOYSA-N 0 3 366.377 3.368 20 5 FGBDHN O=C(CCNCc1ccnc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000583377102 506746962 /nfs/dbraw/zinc/74/69/62/506746962.db2.gz YYDPYWKMKOJRDB-UHFFFAOYSA-N 0 3 368.315 3.127 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000609154069 506795978 /nfs/dbraw/zinc/79/59/78/506795978.db2.gz SQOAADFDZSWMPJ-GFCCVEGCSA-N 0 3 374.416 3.175 20 5 FGBDHN COc1cc(CNCC[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600183474 506827758 /nfs/dbraw/zinc/82/77/58/506827758.db2.gz DPHANNJLKQZMRZ-LBPRGKRZSA-N 0 3 374.384 3.154 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000583529237 506829301 /nfs/dbraw/zinc/82/93/01/506829301.db2.gz CVAQDIUPYLUFKM-CQSZACIVSA-N 0 3 372.425 3.245 20 5 FGBDHN CC(C)NC(=O)c1ccc(N2CCCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000609560707 506922641 /nfs/dbraw/zinc/92/26/41/506922641.db2.gz XSZTYXUWAZOIFM-UHFFFAOYSA-N 0 3 362.474 3.044 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000590778722 506950505 /nfs/dbraw/zinc/95/05/05/506950505.db2.gz XBLMNXNTUVLFME-UONOGXRCSA-N 0 3 360.435 3.125 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000609783867 506999057 /nfs/dbraw/zinc/99/90/57/506999057.db2.gz ROWKDBYGTTZNAN-MRXNPFEDSA-N 0 3 373.840 3.181 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609876692 507035604 /nfs/dbraw/zinc/03/56/04/507035604.db2.gz DVLYXRRHXQDSNU-TZMCWYRMSA-N 0 3 369.849 3.006 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000597669410 507055227 /nfs/dbraw/zinc/05/52/27/507055227.db2.gz SQWRPEAOTZNPPT-QGZVFWFLSA-N 0 3 368.437 3.457 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000609977962 507059612 /nfs/dbraw/zinc/05/96/12/507059612.db2.gz KLBWJUDDVZDNDF-WBVHZDCISA-N 0 3 370.453 3.058 20 5 FGBDHN O=C1NCCC[C@H]1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000590971647 507067826 /nfs/dbraw/zinc/06/78/26/507067826.db2.gz CQZRPJMAHUBUKA-AWEZNQCLSA-N 0 3 373.384 3.142 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597711517 507069688 /nfs/dbraw/zinc/06/96/88/507069688.db2.gz UIDDNSBXWXBFQT-GOSISDBHSA-N 0 3 363.483 3.265 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597925468 507178007 /nfs/dbraw/zinc/17/80/07/507178007.db2.gz PXRJYXXYIGDVFK-QWHCGFSZSA-N 0 3 351.472 3.064 20 5 FGBDHN CCOC(=O)Cc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599988 507203976 /nfs/dbraw/zinc/20/39/76/507203976.db2.gz KXCLUNSVHRQIBR-NVXWUHKLSA-N 0 3 361.442 3.129 20 5 FGBDHN C[N@H+](Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]3)sc2c1)C1CC1 ZINC000598029330 507226163 /nfs/dbraw/zinc/22/61/63/507226163.db2.gz RHABBJDABHJZAG-UHFFFAOYSA-N 0 3 371.422 3.379 20 5 FGBDHN C[N@@H+](Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]3)sc2c1)C1CC1 ZINC000598029330 507226166 /nfs/dbraw/zinc/22/61/66/507226166.db2.gz RHABBJDABHJZAG-UHFFFAOYSA-N 0 3 371.422 3.379 20 5 FGBDHN CN(Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)sc2c1)C1CC1 ZINC000598029330 507226170 /nfs/dbraw/zinc/22/61/70/507226170.db2.gz RHABBJDABHJZAG-UHFFFAOYSA-N 0 3 371.422 3.379 20 5 FGBDHN COc1cc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000601156036 507280956 /nfs/dbraw/zinc/28/09/56/507280956.db2.gz QBDGMMRRHCRBAV-QGZVFWFLSA-N 0 3 350.415 3.138 20 5 FGBDHN O=C([C@H]1CCCCN1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584332119 507283873 /nfs/dbraw/zinc/28/38/73/507283873.db2.gz XBOMRCQZELSZQO-LJQANCHMSA-N 0 3 357.454 3.277 20 5 FGBDHN COC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000594956980 507332180 /nfs/dbraw/zinc/33/21/80/507332180.db2.gz LFDBZDKHWUBZHE-GOSISDBHSA-N 0 3 360.410 3.386 20 5 FGBDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595001696 507348186 /nfs/dbraw/zinc/34/81/86/507348186.db2.gz VNXHLETVPUKHQW-LRDDRELGSA-N 0 3 366.364 3.450 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CCC3(CC2)OCc2ccccc23)c1 ZINC000610738891 507372371 /nfs/dbraw/zinc/37/23/71/507372371.db2.gz XIDMYOZRHAPDCM-UHFFFAOYSA-N 0 3 354.406 3.495 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H](COC)C2CCOCC2)cc1[N+](=O)[O-] ZINC000595067311 507376522 /nfs/dbraw/zinc/37/65/22/507376522.db2.gz LPTRDHZQRVKNBX-CZUORRHYSA-N 0 3 352.431 3.086 20 5 FGBDHN CCCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000591963176 507431833 /nfs/dbraw/zinc/43/18/33/507431833.db2.gz QZPMQCPYRKUIIF-SFHVURJKSA-N 0 3 362.474 3.043 20 5 FGBDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611199012 507558748 /nfs/dbraw/zinc/55/87/48/507558748.db2.gz ILBVAQWCKFYWQK-GUYCJALGSA-N 0 3 350.415 3.049 20 5 FGBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000611203637 507561507 /nfs/dbraw/zinc/56/15/07/507561507.db2.gz DQDHJOIJGYAZNS-UHFFFAOYSA-N 0 3 351.447 3.295 20 5 FGBDHN COc1ccc([C@@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)cc1 ZINC000611267326 507592678 /nfs/dbraw/zinc/59/26/78/507592678.db2.gz JHBKMQBBEFOZHT-OAHLLOKOSA-N 0 3 370.405 3.364 20 5 FGBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595707369 507642400 /nfs/dbraw/zinc/64/24/00/507642400.db2.gz MUHXMTKVNGJXAI-ZJNRKIDTSA-N 0 3 369.421 3.248 20 5 FGBDHN CN(C)C(=O)C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000611384930 507653219 /nfs/dbraw/zinc/65/32/19/507653219.db2.gz XWRCFUMOUZRXOD-LJQANCHMSA-N 0 3 371.437 3.173 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595741792 507659306 /nfs/dbraw/zinc/65/93/06/507659306.db2.gz ZJQFWUYOCTVCFA-BZUAXINKSA-N 0 3 362.426 3.027 20 5 FGBDHN CC(C)(C)O[C@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000595778504 507680627 /nfs/dbraw/zinc/68/06/27/507680627.db2.gz SFFIGVVVGMANNB-HOTGVXAUSA-N 0 3 361.442 3.249 20 5 FGBDHN O=C(NCc1ccccc1)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592523139 507693378 /nfs/dbraw/zinc/69/33/78/507693378.db2.gz KAXRTIXTMQCGQP-IUYMFKLXSA-N 0 3 365.433 3.246 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CC(C)C)C(=O)NC ZINC000611477045 507698672 /nfs/dbraw/zinc/69/86/72/507698672.db2.gz SAEPLCCXRUSAAP-KBPBESRZSA-N 0 3 353.488 3.216 20 5 FGBDHN Cn1cc(C[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC000602483491 507722849 /nfs/dbraw/zinc/72/28/49/507722849.db2.gz LTVAPMIQOXPOQC-GFCCVEGCSA-N 0 3 368.359 3.412 20 5 FGBDHN Cc1nccn1CCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602549774 507745494 /nfs/dbraw/zinc/74/54/94/507745494.db2.gz DRDBLMUSBATZKF-UHFFFAOYSA-N 0 3 373.276 3.494 20 5 FGBDHN O=[N+]([O-])c1ccsc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000588070551 507751693 /nfs/dbraw/zinc/75/16/93/507751693.db2.gz ZNOZLOSRJUMMJK-KRWDZBQOSA-N 0 3 372.494 3.053 20 5 FGBDHN CC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825142873 608552010 /nfs/dbraw/zinc/55/20/10/608552010.db2.gz SUHASTWIMOWMHV-MRXNPFEDSA-N 0 3 356.361 3.155 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)c1cccc(Br)c1 ZINC000050015756 695898163 /nfs/dbraw/zinc/89/81/63/695898163.db2.gz JOXMXWGSCAVKRK-OAHLLOKOSA-N 0 3 351.200 3.181 20 5 FGBDHN COCCN1CCC(Nc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804376483 724509642 /nfs/dbraw/zinc/50/96/42/724509642.db2.gz DDHCESAFZRNGPD-UHFFFAOYSA-N 0 3 372.263 3.188 20 5 FGBDHN COc1cc(F)c([N+](=O)[O-])c(NC2CCN(CCOC(C)C)CC2)c1 ZINC000747620655 722652960 /nfs/dbraw/zinc/65/29/60/722652960.db2.gz DYIFUFBIQKOPIX-UHFFFAOYSA-N 0 3 355.410 3.044 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775868031 724074906 /nfs/dbraw/zinc/07/49/06/724074906.db2.gz CAIROSBVMLQNPJ-GOEBONIOSA-N 0 3 369.849 3.370 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC(Oc3cncc(Cl)n3)CC2)cc1 ZINC000778184209 724307781 /nfs/dbraw/zinc/30/77/81/724307781.db2.gz FEGPXQDGUOCQHW-UHFFFAOYSA-N 0 3 362.817 3.124 20 5 FGBDHN COC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000787422194 725027891 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FGBDHN CC([C@H](OC(=O)C[C@H]1CSCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845881205 730905857 /nfs/dbraw/zinc/90/58/57/730905857.db2.gz ZJZYYPPHQVTCSF-ZETOZRRWSA-N 0 3 359.444 3.314 20 5 FGBDHN CC1(C)C[C@@H](NCC[S@@](=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000850496717 731364464 /nfs/dbraw/zinc/36/44/64/731364464.db2.gz QGGVOOYADFFUEF-YEBMWUKDSA-N 0 3 364.389 3.218 20 5 FGBDHN O=[N+]([O-])c1c(Br)cccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000856737111 732050064 /nfs/dbraw/zinc/05/00/64/732050064.db2.gz ZSJZZMASPTVACZ-GFCCVEGCSA-N 0 3 370.247 3.023 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000862631695 732859011 /nfs/dbraw/zinc/85/90/11/732859011.db2.gz RZBNTVTWIPWXAR-AWEZNQCLSA-N 0 3 351.834 3.385 20 5 FGBDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865791096 733270540 /nfs/dbraw/zinc/27/05/40/733270540.db2.gz ZOZUJSUBGBHGAY-BJHJDKERSA-N 0 3 353.394 3.127 20 5 FGBDHN C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCCC1 ZINC000895684793 742439719 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CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000376406536 257469672 /nfs/dbraw/zinc/46/96/72/257469672.db2.gz IDNGAJHCRCISDS-HIFRSBDPSA-N 0 3 363.483 3.406 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cccc(CN2CCOCC2)c1 ZINC000579977887 505655242 /nfs/dbraw/zinc/65/52/42/505655242.db2.gz LDBMLMYDUQCWTP-FQEVSTJZSA-N 0 3 367.449 3.204 20 5 FGBDHN CN1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000580107039 505679119 /nfs/dbraw/zinc/67/91/19/505679119.db2.gz HPRNJCLFPXEFKY-UHFFFAOYSA-N 0 3 361.273 3.340 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(OCCN2CCCC2)cc1 ZINC000571196161 505677056 /nfs/dbraw/zinc/67/70/56/505677056.db2.gz IUJKVIQTNJVCJU-UHFFFAOYSA-N 0 3 373.457 3.206 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000060063780 493912940 /nfs/dbraw/zinc/91/29/40/493912940.db2.gz MZDOSORYYWCUPI-IBGZPJMESA-N 0 3 371.437 3.416 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000060238992 493919326 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CC(C)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000015624399 494363182 /nfs/dbraw/zinc/36/31/82/494363182.db2.gz DBAQTPLCKXRRHO-UHFFFAOYSA-N 0 3 360.458 3.163 20 5 FGBDHN Cc1c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000073573888 494394291 /nfs/dbraw/zinc/39/42/91/494394291.db2.gz MLYUIYHUUNUIFU-UHFFFAOYSA-N 0 3 357.410 3.233 20 5 FGBDHN CC(C)(C)CCN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000055933154 494430654 /nfs/dbraw/zinc/43/06/54/494430654.db2.gz OVPMGNNJSHVJGG-UHFFFAOYSA-N 0 3 373.457 3.199 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Br)c1 ZINC000090539220 494479089 /nfs/dbraw/zinc/47/90/89/494479089.db2.gz HEZWYDGGTXRCPA-SECBINFHSA-N 0 3 357.183 3.044 20 5 FGBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079561187 494482751 /nfs/dbraw/zinc/48/27/51/494482751.db2.gz OOFROARYOSOGSI-NSHDSACASA-N 0 3 359.348 3.218 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056342807 494489686 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360.410 3.002 20 5 FGBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000092517076 494655116 /nfs/dbraw/zinc/65/51/16/494655116.db2.gz AACQRFPCKGBSSH-UHFFFAOYSA-N 0 3 368.437 3.369 20 5 FGBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)N(C)C)cc1OC ZINC000092582680 494675728 /nfs/dbraw/zinc/67/57/28/494675728.db2.gz WWJNWTRAHZWUTH-HNNXBMFYSA-N 0 3 360.414 3.030 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000116068187 494693391 /nfs/dbraw/zinc/69/33/91/494693391.db2.gz WCGVOXVLCLITRD-INIZCTEOSA-N 0 3 367.449 3.479 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000026221432 494811627 /nfs/dbraw/zinc/81/16/27/494811627.db2.gz KXJLYTCQYQGIHB-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093360822 494878296 /nfs/dbraw/zinc/87/82/96/494878296.db2.gz TWSYPTWZXHBQKJ-CYBMUJFWSA-N 0 3 359.451 3.281 20 5 FGBDHN C[C@H](NCc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000132780745 494923940 /nfs/dbraw/zinc/92/39/40/494923940.db2.gz HPTUVFJFKRWNBE-INIZCTEOSA-N 0 3 369.465 3.402 20 5 FGBDHN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000117569752 494932897 /nfs/dbraw/zinc/93/28/97/494932897.db2.gz NCJVUDDHCHNUAE-QGZVFWFLSA-N 0 3 361.829 3.210 20 5 FGBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000117756237 494952844 /nfs/dbraw/zinc/95/28/44/494952844.db2.gz KRVYEAOMUFEXOV-STQMWFEESA-N 0 3 353.850 3.027 20 5 FGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000117770050 494954718 /nfs/dbraw/zinc/95/47/18/494954718.db2.gz MQJNBCZMPTXFEB-CYBMUJFWSA-N 0 3 353.850 3.027 20 5 FGBDHN CCC(=O)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000134541693 495165582 /nfs/dbraw/zinc/16/55/82/495165582.db2.gz DMGUAVYDLTYBGD-ZDUSSCGKSA-N 0 3 359.451 3.424 20 5 FGBDHN CCc1nc2n(n1)C[C@H](NCc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112550607 495203910 /nfs/dbraw/zinc/20/39/10/495203910.db2.gz JEUPEPWFAWCYAX-MRXNPFEDSA-N 0 3 374.444 3.205 20 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3.305 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000125828086 495504914 /nfs/dbraw/zinc/50/49/14/495504914.db2.gz IPLUALVWCXTQOR-NSHDSACASA-N 0 3 372.372 3.192 20 5 FGBDHN C[C@@H](NCCCN1C(=O)COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173444771 495532786 /nfs/dbraw/zinc/53/27/86/495532786.db2.gz PIYASMBTKOQDMX-CQSZACIVSA-N 0 3 355.394 3.061 20 5 FGBDHN C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000158599657 495546853 /nfs/dbraw/zinc/54/68/53/495546853.db2.gz DQBKGJLSYXSJEX-FOIQADDNSA-N 0 3 373.428 3.458 20 5 FGBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154338473 495585759 /nfs/dbraw/zinc/58/57/59/495585759.db2.gz QZUKAFFCHNZZHY-AWEZNQCLSA-N 0 3 353.850 3.489 20 5 FGBDHN COc1ccc(OCCN[C@H](C)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1 ZINC000182532927 495601992 /nfs/dbraw/zinc/60/19/92/495601992.db2.gz YQUJZNOMDDYHKF-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccccn1 ZINC000577800538 505794923 /nfs/dbraw/zinc/79/49/23/505794923.db2.gz DGWYYXXWVBKQIW-GOSISDBHSA-N 0 3 354.410 3.464 20 5 FGBDHN COc1cccc2c1CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000182669746 495656969 /nfs/dbraw/zinc/65/69/69/495656969.db2.gz WECHLFJJZCEDIE-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CCCO)c1ccccc1 ZINC000179756976 495720846 /nfs/dbraw/zinc/72/08/46/495720846.db2.gz LWJULKOBJFRYCZ-LJQANCHMSA-N 0 3 371.437 3.335 20 5 FGBDHN CO[C@@](C)(CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000574567195 505804333 /nfs/dbraw/zinc/80/43/33/505804333.db2.gz XUNPSPTWMUFGOG-IBGZPJMESA-N 0 3 357.410 3.075 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183041039 495809918 /nfs/dbraw/zinc/80/99/18/495809918.db2.gz MUVYIPRAHXKGHP-MJGOQNOKSA-N 0 3 374.485 3.043 20 5 FGBDHN COc1cc(CN(C)CC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180134852 495873177 /nfs/dbraw/zinc/87/31/77/495873177.db2.gz FAQKCQVMDHCOGQ-UHFFFAOYSA-N 0 3 374.384 3.106 20 5 FGBDHN CCCN1CCN(c2ccccc2CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000151559295 495878315 /nfs/dbraw/zinc/87/83/15/495878315.db2.gz FCFHWTMUXYYMJS-UHFFFAOYSA-N 0 3 368.481 3.417 20 5 FGBDHN COc1cc(CN2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180162212 495887396 /nfs/dbraw/zinc/88/73/96/495887396.db2.gz HXZYADFZRXQKOA-RYUDHWBXSA-N 0 3 356.369 3.479 20 5 FGBDHN COc1cc(CN2CC[C@@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180199204 495902456 /nfs/dbraw/zinc/90/24/56/495902456.db2.gz DIPBXUVIORXBBL-HXUWFJFHSA-N 0 3 372.421 3.139 20 5 FGBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186295779 495932444 /nfs/dbraw/zinc/93/24/44/495932444.db2.gz SZAFZMPEAXPKJW-HXUWFJFHSA-N 0 3 367.449 3.260 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186323698 495948862 /nfs/dbraw/zinc/94/88/62/495948862.db2.gz ICLYZCFZUXRLMK-HOTGVXAUSA-N 0 3 369.849 3.370 20 5 FGBDHN C[C@@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171643346 495962419 /nfs/dbraw/zinc/96/24/19/495962419.db2.gz MFSWNWXKTQVHHJ-CRAIPNDOSA-N 0 3 360.458 3.316 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000180439444 495996392 /nfs/dbraw/zinc/99/63/92/495996392.db2.gz IXBQRFJRSDBQQJ-ZDUSSCGKSA-N 0 3 372.381 3.491 20 5 FGBDHN CC(C)n1cnnc1[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174550854 496006511 /nfs/dbraw/zinc/00/65/11/496006511.db2.gz ZYWCFXHQKXBGSD-HNNXBMFYSA-N 0 3 359.430 3.026 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183594176 496041540 /nfs/dbraw/zinc/04/15/40/496041540.db2.gz SUSXDGVBJHLIEP-CQSZACIVSA-N 0 3 369.425 3.337 20 5 FGBDHN O=C(CCN1CC[C@]2(C1)OCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000186627372 496079964 /nfs/dbraw/zinc/07/99/64/496079964.db2.gz KIXOLNNWPMCHDH-HXUWFJFHSA-N 0 3 367.405 3.055 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000161307534 496149100 /nfs/dbraw/zinc/14/91/00/496149100.db2.gz CGTVCAPUSHAPEW-CJNGLKHVSA-N 0 3 363.483 3.263 20 5 FGBDHN Cc1c(NC(=O)CCN(C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000183926146 496164185 /nfs/dbraw/zinc/16/41/85/496164185.db2.gz BPVZJKJXSJCNKC-LBPRGKRZSA-N 0 3 362.455 3.424 20 5 FGBDHN O=C1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1C1CC1 ZINC000174935520 496172250 /nfs/dbraw/zinc/17/22/50/496172250.db2.gz NAIMORYIJHGDKK-CYBMUJFWSA-N 0 3 357.435 3.176 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCn3ccnn3)o2)c(Cl)c1 ZINC000184247588 496303251 /nfs/dbraw/zinc/30/32/51/496303251.db2.gz CZVPBUFFWSZAAP-UHFFFAOYSA-N 0 3 361.789 3.280 20 5 FGBDHN Cc1nc(NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000569041364 505836303 /nfs/dbraw/zinc/83/63/03/505836303.db2.gz AXMSCFNNMXCCOC-GOSISDBHSA-N 0 3 358.442 3.222 20 5 FGBDHN CCN1CCN(c2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000184277046 496316266 /nfs/dbraw/zinc/31/62/66/496316266.db2.gz DBOXLHYMYQAKQE-UHFFFAOYSA-N 0 3 360.439 3.051 20 5 FGBDHN Cc1c(CC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000187218958 496345159 /nfs/dbraw/zinc/34/51/59/496345159.db2.gz JBSAMBYHIPJSIH-MGPUTAFESA-N 0 3 355.438 3.253 20 5 FGBDHN COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187254100 496362815 /nfs/dbraw/zinc/36/28/15/496362815.db2.gz CCLVSGABXPTGJN-ACJLOTCBSA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1ccc(NCCCNC(=O)c2ccc(CN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000156942201 496370289 /nfs/dbraw/zinc/37/02/89/496370289.db2.gz MWCHPMYMSFSNIG-UHFFFAOYSA-N 0 3 370.453 3.197 20 5 FGBDHN COc1ccc(CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000181509804 496426324 /nfs/dbraw/zinc/42/63/24/496426324.db2.gz WWZJJEPDROKKHE-KRWDZBQOSA-N 0 3 372.421 3.008 20 5 FGBDHN CCOc1ccc([C@H](C)NCCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000153418890 496448738 /nfs/dbraw/zinc/44/87/38/496448738.db2.gz ROZBREHRLYHBJJ-HNNXBMFYSA-N 0 3 371.437 3.351 20 5 FGBDHN CC(C)COC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181662026 496491814 /nfs/dbraw/zinc/49/18/14/496491814.db2.gz OGBFHUVMHWUGCM-UHFFFAOYSA-N 0 3 367.421 3.200 20 5 FGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)c1ccccc1 ZINC000181776115 496539140 /nfs/dbraw/zinc/53/91/40/496539140.db2.gz QJEJMDZAGRKRCD-OAHLLOKOSA-N 0 3 367.449 3.440 20 5 FGBDHN COc1ccccc1COC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181836113 496566056 /nfs/dbraw/zinc/56/60/56/496566056.db2.gz ALRPVOAIMYDJKZ-YJBOKZPZSA-N 0 3 374.437 3.140 20 5 FGBDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956879 505854652 /nfs/dbraw/zinc/85/46/52/505854652.db2.gz NYNHDGQCSRTHIU-FUHWJXTLSA-N 0 3 374.437 3.426 20 5 FGBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000165676080 496665053 /nfs/dbraw/zinc/66/50/53/496665053.db2.gz IKYWURHAMFETCO-MRXNPFEDSA-N 0 3 370.453 3.224 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188080120 496674997 /nfs/dbraw/zinc/67/49/97/496674997.db2.gz PCKDFSSVFYFZFQ-CHWSQXEVSA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176114607 496689419 /nfs/dbraw/zinc/68/94/19/496689419.db2.gz RPDDEHUTWDYLHE-CJNGLKHVSA-N 0 3 359.451 3.439 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185194771 496699607 /nfs/dbraw/zinc/69/96/07/496699607.db2.gz RCSNSOAWVUMZGZ-IRXDYDNUSA-N 0 3 350.415 3.145 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccc(F)c1)C1CC1 ZINC000182216366 496710694 /nfs/dbraw/zinc/71/06/94/496710694.db2.gz HFPRJNFLHBNOQX-QGZVFWFLSA-N 0 3 360.385 3.138 20 5 FGBDHN CCC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000182334086 496730068 /nfs/dbraw/zinc/73/00/68/496730068.db2.gz RHPKEIZETMOJJD-CQSZACIVSA-N 0 3 371.393 3.393 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000273508165 496826057 /nfs/dbraw/zinc/82/60/57/496826057.db2.gz KXDNJKPEAJPGOG-LBPRGKRZSA-N 0 3 368.865 3.120 20 5 FGBDHN O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730481 496868910 /nfs/dbraw/zinc/86/89/10/496868910.db2.gz BHPHQBMOPPYTIP-RTBURBONSA-N 0 3 361.445 3.450 20 5 FGBDHN Cc1ccccc1C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000188934934 496953113 /nfs/dbraw/zinc/95/31/13/496953113.db2.gz SQYPDEBIFDSHPT-OAHLLOKOSA-N 0 3 366.364 3.198 20 5 FGBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000248460527 497019162 /nfs/dbraw/zinc/01/91/62/497019162.db2.gz OMSHEUYYPYQNSC-PBHICJAKSA-N 0 3 360.410 3.123 20 5 FGBDHN CC(C)CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCN(C)CC1 ZINC000265135064 497054504 /nfs/dbraw/zinc/05/45/04/497054504.db2.gz SXQKQDOMJNAKDS-UHFFFAOYSA-N 0 3 358.442 3.269 20 5 FGBDHN O=C(CCN[C@@H]1CCCc2c(O)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000192366153 497091806 /nfs/dbraw/zinc/09/18/06/497091806.db2.gz VFHZFTNQZWLGEA-OAHLLOKOSA-N 0 3 355.394 3.296 20 5 FGBDHN COc1ccc([C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000192476432 497127596 /nfs/dbraw/zinc/12/75/96/497127596.db2.gz OERUDHZPCYXOSO-FXAWDEMLSA-N 0 3 372.421 3.084 20 5 FGBDHN COc1ccc([C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000192476453 497128270 /nfs/dbraw/zinc/12/82/70/497128270.db2.gz OERUDHZPCYXOSO-YLJYHZDGSA-N 0 3 372.421 3.084 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249121321 497170446 /nfs/dbraw/zinc/17/04/46/497170446.db2.gz ZIOYKOAABNCPCJ-MSOLQXFVSA-N 0 3 354.410 3.470 20 5 FGBDHN COc1cc(C[NH2+]CCc2c(C)[nH]c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000237404783 497231882 /nfs/dbraw/zinc/23/18/82/497231882.db2.gz OGKZLXQTPPHNDK-UHFFFAOYSA-N 0 3 355.394 3.431 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000266282849 497295109 /nfs/dbraw/zinc/29/51/09/497295109.db2.gz HAICOVUGBGNQFK-ZYHUDNBSSA-N 0 3 359.348 3.168 20 5 FGBDHN Cc1cc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000193134349 497310252 /nfs/dbraw/zinc/31/02/52/497310252.db2.gz RZAXNUNRYDDOSE-IUODEOHRSA-N 0 3 350.440 3.364 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000190016571 497326697 /nfs/dbraw/zinc/32/66/97/497326697.db2.gz STGCUFBGCQFELQ-HZPDHXFCSA-N 0 3 351.472 3.496 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCc3ccc4c(c3)CCO4)C2)nc1 ZINC000193252427 497334450 /nfs/dbraw/zinc/33/44/50/497334450.db2.gz OWQKEIYBYDKRNY-KRWDZBQOSA-N 0 3 368.437 3.044 20 5 FGBDHN C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000581074221 505904708 /nfs/dbraw/zinc/90/47/08/505904708.db2.gz KNNTYXAWZVTCRB-LJQANCHMSA-N 0 3 357.385 3.128 20 5 FGBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccccc1 ZINC000193559485 497413807 /nfs/dbraw/zinc/41/38/07/497413807.db2.gz OMXCACJDNXALFS-GOSISDBHSA-N 0 3 354.410 3.194 20 5 FGBDHN CSc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000193705082 497453107 /nfs/dbraw/zinc/45/31/07/497453107.db2.gz DDKRVBAOSFUFJE-UHFFFAOYSA-N 0 3 359.451 3.179 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000275900867 497459438 /nfs/dbraw/zinc/45/94/38/497459438.db2.gz UCDPHJIWQLWCHN-UHFFFAOYSA-N 0 3 359.451 3.430 20 5 FGBDHN Cc1cccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193799150 497485635 /nfs/dbraw/zinc/48/56/35/497485635.db2.gz PURFRLFLEVWEJS-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193804613 497487808 /nfs/dbraw/zinc/48/78/08/497487808.db2.gz APOUSWVLTJWSMW-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN COc1cc(CN[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271980265 497502785 /nfs/dbraw/zinc/50/27/85/497502785.db2.gz YXIREIYOPGNUHI-JTQLQIEISA-N 0 3 366.361 3.140 20 5 FGBDHN C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000194003074 497545643 /nfs/dbraw/zinc/54/56/43/497545643.db2.gz URUWCUFYWDJEIW-GXFFZTMASA-N 0 3 370.247 3.464 20 5 FGBDHN Cc1cc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000262518258 497569058 /nfs/dbraw/zinc/56/90/58/497569058.db2.gz UNHPWZKFWSQBCV-INIZCTEOSA-N 0 3 356.426 3.039 20 5 FGBDHN CC(C)(NC[C@@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000292152142 497900780 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FGBDHN O=[N+]([O-])c1ccc(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1 ZINC000578627677 505984824 /nfs/dbraw/zinc/98/48/24/505984824.db2.gz QOKILWNZJMALCN-KRWDZBQOSA-N 0 3 359.451 3.373 20 5 FGBDHN O=[N+]([O-])c1cc(F)c(NCC2(N3CCCCC3)CCOCC2)c(F)c1 ZINC000301778241 498260388 /nfs/dbraw/zinc/26/03/88/498260388.db2.gz IGUWABHGHMRGDW-UHFFFAOYSA-N 0 3 355.385 3.320 20 5 FGBDHN COc1cc(CN[C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1OC ZINC000365131571 498314006 /nfs/dbraw/zinc/31/40/06/498314006.db2.gz JCUSXWGIIJCUTK-HNNXBMFYSA-N 0 3 374.441 3.037 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301987806 498358142 /nfs/dbraw/zinc/35/81/42/498358142.db2.gz DPWPPWYIQRUQIH-CYBMUJFWSA-N 0 3 367.409 3.176 20 5 FGBDHN Cc1cc(NC[C@@H](C(C)C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302146990 498415788 /nfs/dbraw/zinc/41/57/88/498415788.db2.gz GVYILKLTBJKOGB-IBGZPJMESA-N 0 3 358.442 3.220 20 5 FGBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)N2CCCCC2)cc1 ZINC000302184412 498432807 /nfs/dbraw/zinc/43/28/07/498432807.db2.gz SVAUEHAHVYQZHG-QGZVFWFLSA-N 0 3 357.414 3.033 20 5 FGBDHN Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302184243 498433122 /nfs/dbraw/zinc/43/31/22/498433122.db2.gz OXBCGAWMJLUKTP-INIZCTEOSA-N 0 3 370.453 3.000 20 5 FGBDHN Cc1nc(NCc2ccc(OC3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000286631502 498458703 /nfs/dbraw/zinc/45/87/03/498458703.db2.gz ZLIBPGJVDAXXES-UHFFFAOYSA-N 0 3 356.426 3.383 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598371 498505357 /nfs/dbraw/zinc/50/53/57/498505357.db2.gz HAAGWGHYWBZUIQ-QMTHXVAHSA-N 0 3 359.348 3.026 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(CN2CCOCC2)CC1 ZINC000302673440 498529224 /nfs/dbraw/zinc/52/92/24/498529224.db2.gz LNLSUXIJDUVISB-UHFFFAOYSA-N 0 3 353.850 3.105 20 5 FGBDHN C[C@H](N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000575996876 506052215 /nfs/dbraw/zinc/05/22/15/506052215.db2.gz CWERDLSCKDTYRP-QMTMVMCOSA-N 0 3 353.422 3.435 20 5 FGBDHN COC(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290817000 498687059 /nfs/dbraw/zinc/68/70/59/498687059.db2.gz GQLRXQFGGBLJBE-UHFFFAOYSA-N 0 3 362.213 3.222 20 5 FGBDHN CN(C)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000579047764 506081515 /nfs/dbraw/zinc/08/15/15/506081515.db2.gz WGPCOCQZKLANMN-GOSISDBHSA-N 0 3 359.401 3.086 20 5 FGBDHN CSc1ccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000572915400 506082514 /nfs/dbraw/zinc/08/25/14/506082514.db2.gz SNKLPFKIKMGTIP-CQSZACIVSA-N 0 3 365.480 3.411 20 5 FGBDHN CC(C)N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294611098 498747121 /nfs/dbraw/zinc/74/71/21/498747121.db2.gz ZZFRSEDHUNMMCJ-UHFFFAOYSA-N 0 3 359.348 3.216 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CNCCc2ccco2)c1 ZINC000576152537 506089084 /nfs/dbraw/zinc/08/90/84/506089084.db2.gz MBVWZNDWKSWVLV-UHFFFAOYSA-N 0 3 372.162 3.125 20 5 FGBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165257 506091573 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C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000582072858 506127173 /nfs/dbraw/zinc/12/71/73/506127173.db2.gz LRDWFIQXBWKDMT-FLXZHSAZSA-N 0 3 359.470 3.185 20 5 FGBDHN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070253 499042288 /nfs/dbraw/zinc/04/22/88/499042288.db2.gz NBDXWGOXTLDQBX-UGSOOPFHSA-N 0 3 358.442 3.139 20 5 FGBDHN O=C1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C2CC2)N1 ZINC000370281276 499205133 /nfs/dbraw/zinc/20/51/33/499205133.db2.gz YUZSRGDZHZDZMX-QFBILLFUSA-N 0 3 355.394 3.002 20 5 FGBDHN C[C@H](c1ccc2c(c1)OCCCO2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368036386 499258348 /nfs/dbraw/zinc/25/83/48/499258348.db2.gz ISLGUKWXSGXIGT-CQSZACIVSA-N 0 3 372.425 3.351 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CC(C)C)CC2)c1 ZINC000368820877 499335999 /nfs/dbraw/zinc/33/59/99/499335999.db2.gz DRZYZCSIXQHZJW-UHFFFAOYSA-N 0 3 351.472 3.121 20 5 FGBDHN COCc1nccc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000371889092 499375905 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FGBDHN O=C(CCN1CC=C(c2cccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376541209 499616618 /nfs/dbraw/zinc/61/66/18/499616618.db2.gz SFZGILOQEDTVCN-UHFFFAOYSA-N 0 3 352.394 3.108 20 5 FGBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000376729115 499632502 /nfs/dbraw/zinc/63/25/02/499632502.db2.gz OELLTQSJEIVSFH-LKFCYVNXSA-N 0 3 358.225 3.068 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668975 /nfs/dbraw/zinc/66/89/75/499668975.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 0 3 371.485 3.152 20 5 FGBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCN(C)CC2)cc1OC ZINC000411153522 499703941 /nfs/dbraw/zinc/70/39/41/499703941.db2.gz JKLYLALIABAWBD-HNNXBMFYSA-N 0 3 365.474 3.166 20 5 FGBDHN CC(C)Oc1cc(C(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000411185892 499708317 /nfs/dbraw/zinc/70/83/17/499708317.db2.gz NGQUNXFULVXTDG-UHFFFAOYSA-N 0 3 371.437 3.374 20 5 FGBDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411639884 499771792 /nfs/dbraw/zinc/77/17/92/499771792.db2.gz JSBSNHIDGWEIOO-LJQANCHMSA-N 0 3 371.437 3.273 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000411701029 499780146 /nfs/dbraw/zinc/78/01/46/499780146.db2.gz XAJMOOGJFGVTEV-ZCNNSNEGSA-N 0 3 367.449 3.426 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000414510227 499801110 /nfs/dbraw/zinc/80/11/10/499801110.db2.gz UHJOGUDSDPFHQA-IFXJQAMLSA-N 0 3 374.441 3.077 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000412555927 499862922 /nfs/dbraw/zinc/86/29/22/499862922.db2.gz CVKIEHXCNPSYSQ-UHFFFAOYSA-N 0 3 360.389 3.236 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000415881123 499924155 /nfs/dbraw/zinc/92/41/55/499924155.db2.gz HJNCRNLOFDRISN-ZDUSSCGKSA-N 0 3 354.410 3.432 20 5 FGBDHN CSc1cccc(C(=O)N(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000416113045 499949572 /nfs/dbraw/zinc/94/95/72/499949572.db2.gz YJZXSGGOBCGNQP-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN COc1ccc([C@@H](CO)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000413441174 499957952 /nfs/dbraw/zinc/95/79/52/499957952.db2.gz PMOSAAAQZQQVJA-OAHLLOKOSA-N 0 3 367.405 3.070 20 5 FGBDHN CCCN1C[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000421355979 500025430 /nfs/dbraw/zinc/02/54/30/500025430.db2.gz VSBTZNDLASAZJD-AWEZNQCLSA-N 0 3 357.410 3.203 20 5 FGBDHN CC[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421391847 500036195 /nfs/dbraw/zinc/03/61/95/500036195.db2.gz UPHCUWBBXAZIHQ-OLZOCXBDSA-N 0 3 374.384 3.295 20 5 FGBDHN CON1CCC(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000421398023 500038447 /nfs/dbraw/zinc/03/84/47/500038447.db2.gz NCXGMGVJJQVWBJ-UHFFFAOYSA-N 0 3 370.453 3.478 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(CC)CC ZINC000429343477 500056475 /nfs/dbraw/zinc/05/64/75/500056475.db2.gz HOBWBRZHECLREL-JKSUJKDBSA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1noc(C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429546600 500099066 /nfs/dbraw/zinc/09/90/66/500099066.db2.gz ILHMHUVAWWUHGX-SFHVURJKSA-N 0 3 368.393 3.239 20 5 FGBDHN COC(=O)[C@H](CCN(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425458785 500111957 /nfs/dbraw/zinc/11/19/57/500111957.db2.gz NXBTUGXAVNESAG-GOSISDBHSA-N 0 3 356.422 3.416 20 5 FGBDHN CO[C@H]1C[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000425499245 500125551 /nfs/dbraw/zinc/12/55/51/500125551.db2.gz ZXNMONAGKWYWGQ-KGLIPLIRSA-N 0 3 355.232 3.405 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000421750677 500139610 /nfs/dbraw/zinc/13/96/10/500139610.db2.gz VULNUNMCZJCLNN-QGZVFWFLSA-N 0 3 355.438 3.114 20 5 FGBDHN COc1ccccc1-n1nccc1CNCCc1ccccc1[N+](=O)[O-] ZINC000430020540 500182009 /nfs/dbraw/zinc/18/20/09/500182009.db2.gz HEZSVANCASBCMC-UHFFFAOYSA-N 0 3 352.394 3.121 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCN(CC(F)F)C2)o1 ZINC000418129211 500234049 /nfs/dbraw/zinc/23/40/49/500234049.db2.gz CXOVBOIVNSXWCV-LBPRGKRZSA-N 0 3 351.353 3.284 20 5 FGBDHN CCN(CCN1CCCCCC1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000582318681 506185591 /nfs/dbraw/zinc/18/55/91/506185591.db2.gz GAEXHXDUMCZBIF-UHFFFAOYSA-N 0 3 363.458 3.250 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427452522 500395144 /nfs/dbraw/zinc/39/51/44/500395144.db2.gz JXZWUQMXTMWWML-UHFFFAOYSA-N 0 3 371.437 3.327 20 5 FGBDHN C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000420594322 500475796 /nfs/dbraw/zinc/47/57/96/500475796.db2.gz DIBVCCWEPQFIKT-ZBFHGGJFSA-N 0 3 368.437 3.159 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594294 500476010 /nfs/dbraw/zinc/47/60/10/500476010.db2.gz DCHGORIOHNCGBG-RHSMWYFYSA-N 0 3 368.437 3.016 20 5 FGBDHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424343621 500489456 /nfs/dbraw/zinc/48/94/56/500489456.db2.gz GZYQIJCIKACXAT-DGCLKSJQSA-N 0 3 373.434 3.121 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433055030 500614311 /nfs/dbraw/zinc/61/43/11/500614311.db2.gz XCCBXHMUTCTTIQ-ROUUACIJSA-N 0 3 356.422 3.214 20 5 FGBDHN CCc1ccc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072045 500619197 /nfs/dbraw/zinc/61/91/97/500619197.db2.gz MVFKFIYKVAGUCV-UYAOXDASSA-N 0 3 370.449 3.386 20 5 FGBDHN CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447539212 500620333 /nfs/dbraw/zinc/62/03/33/500620333.db2.gz FXJCEQXMDOGWMV-DLBZAZTESA-N 0 3 372.473 3.306 20 5 FGBDHN Cn1cc(N2CCC[C@@H](N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000433279638 500659969 /nfs/dbraw/zinc/65/99/69/500659969.db2.gz UPTQEDXNCMPSNF-KUHUBIRLSA-N 0 3 369.469 3.309 20 5 FGBDHN CC1(C)C[C@H](NCc2ccc(OCCO)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433284177 500660582 /nfs/dbraw/zinc/66/05/82/500660582.db2.gz QCZWYVPTKDNJMT-IBGZPJMESA-N 0 3 356.422 3.478 20 5 FGBDHN C[C@@H](OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000570675247 506212897 /nfs/dbraw/zinc/21/28/97/506212897.db2.gz AZHNBUXENJFQKT-FZKQIMNGSA-N 0 3 364.829 3.477 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1 ZINC000433862254 500756992 /nfs/dbraw/zinc/75/69/92/500756992.db2.gz JXAACUULQFIWMK-HNNXBMFYSA-N 0 3 373.457 3.254 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1CC(C)(C)O ZINC000438349580 500775065 /nfs/dbraw/zinc/77/50/65/500775065.db2.gz YWHURGNJMATYRJ-OAHLLOKOSA-N 0 3 373.453 3.132 20 5 FGBDHN CC1CCC(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000444653544 500873646 /nfs/dbraw/zinc/87/36/46/500873646.db2.gz UZPPVODJXFLCJK-UHFFFAOYSA-N 0 3 357.458 3.167 20 5 FGBDHN CC(C)c1ccc(C(=O)N2CCOc3ccc(CN)cc32)cc1[N+](=O)[O-] ZINC000602576948 506222152 /nfs/dbraw/zinc/22/21/52/506222152.db2.gz MJLMKBNWDGPZMA-UHFFFAOYSA-N 0 3 355.394 3.216 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000444775843 500897624 /nfs/dbraw/zinc/89/76/24/500897624.db2.gz ASLGUWVCFOPARG-UHFFFAOYSA-N 0 3 370.449 3.291 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000439884067 500950460 /nfs/dbraw/zinc/95/04/60/500950460.db2.gz VUGNOFASLWGOIP-UONOGXRCSA-N 0 3 364.446 3.235 20 5 FGBDHN COc1ccc(CN(C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000445254975 500961294 /nfs/dbraw/zinc/96/12/94/500961294.db2.gz RNELKBSRBODWOG-UHFFFAOYSA-N 0 3 361.364 3.062 20 5 FGBDHN Cc1ccc(CN2CC[C@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000449282122 500965961 /nfs/dbraw/zinc/96/59/61/500965961.db2.gz FTQXJPVEQAMRAE-APWZRJJASA-N 0 3 367.449 3.225 20 5 FGBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000449449127 501005447 /nfs/dbraw/zinc/00/54/47/501005447.db2.gz BXYXYCCLPQSYBE-LJQANCHMSA-N 0 3 366.421 3.161 20 5 FGBDHN O=C1COc2ccc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2N1 ZINC000449506593 501020491 /nfs/dbraw/zinc/02/04/91/501020491.db2.gz ZDEBIGAIUSJYNZ-INIZCTEOSA-N 0 3 367.405 3.305 20 5 FGBDHN Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450546386 501150914 /nfs/dbraw/zinc/15/09/14/501150914.db2.gz HFVHAOKLYYGWDP-CQSZACIVSA-N 0 3 367.453 3.281 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)CN(CCCOc1ccc3c(c1)OCO3)CC2 ZINC000446734948 501158784 /nfs/dbraw/zinc/15/87/84/501158784.db2.gz HULINRVTYDCSMW-UHFFFAOYSA-N 0 3 356.378 3.151 20 5 FGBDHN COC(=O)[C@@](C)(CNC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000447057395 501198338 /nfs/dbraw/zinc/19/83/38/501198338.db2.gz CVLSHYYSIGJCAX-BPJPHKDRSA-N 0 3 372.396 3.468 20 5 FGBDHN CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000450964692 501235557 /nfs/dbraw/zinc/23/55/57/501235557.db2.gz DKYMARVQPCBVKR-HZPDHXFCSA-N 0 3 363.458 3.415 20 5 FGBDHN CCOc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451099957 501245764 /nfs/dbraw/zinc/24/57/64/501245764.db2.gz OHPKAODIZNRFMW-WMLDXEAASA-N 0 3 360.410 3.084 20 5 FGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000451327629 501266029 /nfs/dbraw/zinc/26/60/29/501266029.db2.gz SNMAEODSWPOMCO-MRXNPFEDSA-N 0 3 350.802 3.292 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000451335320 501268629 /nfs/dbraw/zinc/26/86/29/501268629.db2.gz CYYRNOALZVXKJF-BBWFWOEESA-N 0 3 372.425 3.160 20 5 FGBDHN Cn1cc(CNCCOCC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000453584732 501354163 /nfs/dbraw/zinc/35/41/63/501354163.db2.gz MJCPJLKOJUKGDO-UHFFFAOYSA-N 0 3 358.442 3.292 20 5 FGBDHN COc1ccc(OCCN2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000451961227 501408994 /nfs/dbraw/zinc/40/89/94/501408994.db2.gz DDYQQPNNZUMCGN-QGZVFWFLSA-N 0 3 352.456 3.201 20 5 FGBDHN CCO[C@@H]1CCC[C@H]1NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000452025891 501421066 /nfs/dbraw/zinc/42/10/66/501421066.db2.gz UGUGVRDMZQPBLB-DGCLKSJQSA-N 0 3 360.357 3.252 20 5 FGBDHN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000452571149 501524865 /nfs/dbraw/zinc/52/48/65/501524865.db2.gz NNFCDHHLBHJANO-AWEZNQCLSA-N 0 3 359.470 3.449 20 5 FGBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452855915 501575377 /nfs/dbraw/zinc/57/53/77/501575377.db2.gz PUEXNCMIMATPQL-HKUYNNGSSA-N 0 3 357.454 3.175 20 5 FGBDHN COc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000474440036 501837611 /nfs/dbraw/zinc/83/76/11/501837611.db2.gz PWXCKNFLDSIUEX-UGSOOPFHSA-N 0 3 372.425 3.416 20 5 FGBDHN Cc1ccc([C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019007 501892873 /nfs/dbraw/zinc/89/28/73/501892873.db2.gz NTOIPBBWQCRUIZ-MSOLQXFVSA-N 0 3 370.449 3.441 20 5 FGBDHN CCc1ccc([C@@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000478295385 501934233 /nfs/dbraw/zinc/93/42/33/501934233.db2.gz ZZQCQPGHAXAUQE-QGZVFWFLSA-N 0 3 372.425 3.054 20 5 FGBDHN CC[C@@H](N[C@H]1CC(=O)N(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482036315 501954685 /nfs/dbraw/zinc/95/46/85/501954685.db2.gz DNNPPJQTMJBDNB-HNAYVOBHSA-N 0 3 369.421 3.450 20 5 FGBDHN CC(C)[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000474928121 501994270 /nfs/dbraw/zinc/99/42/70/501994270.db2.gz GPHNMNLCSQUGIG-LSDHHAIUSA-N 0 3 354.472 3.173 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475109480 502062881 /nfs/dbraw/zinc/06/28/81/502062881.db2.gz AWSBJUKAUBTISI-CYBMUJFWSA-N 0 3 350.415 3.015 20 5 FGBDHN CN1C[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592883145 506291232 /nfs/dbraw/zinc/29/12/32/506291232.db2.gz XUOXWTASQSADLW-CABCVRRESA-N 0 3 373.840 3.323 20 5 FGBDHN CSc1cccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000486228016 502090779 /nfs/dbraw/zinc/09/07/79/502090779.db2.gz PGBCGMVZUWRQSP-BETUJISGSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000596173643 506293204 /nfs/dbraw/zinc/29/32/04/506293204.db2.gz ZOVHUZJPJSZFPM-GOEBONIOSA-N 0 3 356.426 3.408 20 5 FGBDHN C[C@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173643 506293209 /nfs/dbraw/zinc/29/32/09/506293209.db2.gz ZOVHUZJPJSZFPM-GOEBONIOSA-N 0 3 356.426 3.408 20 5 FGBDHN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000475229537 502105576 /nfs/dbraw/zinc/10/55/76/502105576.db2.gz FQTJZNAWWVIFKB-SNVBAGLBSA-N 0 3 372.347 3.386 20 5 FGBDHN C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464856944 502124611 /nfs/dbraw/zinc/12/46/11/502124611.db2.gz NDBYFBSSDPPXPS-HFTRVMKXSA-N 0 3 360.410 3.401 20 5 FGBDHN Cc1cc(NC2CCN(CCN(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773647 502197597 /nfs/dbraw/zinc/19/75/97/502197597.db2.gz GJUZYBNTNMUBRA-UHFFFAOYSA-N 0 3 374.407 3.360 20 5 FGBDHN CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783728 502200708 /nfs/dbraw/zinc/20/07/08/502200708.db2.gz FEWWFDVIJIBGRB-ZDUSSCGKSA-N 0 3 374.407 3.360 20 5 FGBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475561044 502213206 /nfs/dbraw/zinc/21/32/06/502213206.db2.gz PZHFPCDOPALVSU-CQSZACIVSA-N 0 3 350.415 3.157 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000602792329 506301141 /nfs/dbraw/zinc/30/11/41/506301141.db2.gz OKMLILWQAZNPEG-UHFFFAOYSA-N 0 3 364.833 3.049 20 5 FGBDHN Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461953041 502250733 /nfs/dbraw/zinc/25/07/33/502250733.db2.gz HDVARBQKHBLLCX-OAHLLOKOSA-N 0 3 351.422 3.124 20 5 FGBDHN Cc1cc(N2CC[C@@H](OCCN(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461952644 502251037 /nfs/dbraw/zinc/25/10/37/502251037.db2.gz GFYMIGDRUSXOJC-GFCCVEGCSA-N 0 3 361.364 3.079 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 ZINC000472234667 502279213 /nfs/dbraw/zinc/27/92/13/502279213.db2.gz WWYDQUDCJZRYPL-UHFFFAOYSA-N 0 3 372.425 3.355 20 5 FGBDHN COc1cc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])ccc1OC(C)C ZINC000602802564 506306032 /nfs/dbraw/zinc/30/60/32/506306032.db2.gz QFGIXHIQURNSJE-ZDUSSCGKSA-N 0 3 362.430 3.246 20 5 FGBDHN COC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000602807411 506307722 /nfs/dbraw/zinc/30/77/22/506307722.db2.gz TVXRCHIWXOTBRO-CQSZACIVSA-N 0 3 372.347 3.096 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000465819704 502395207 /nfs/dbraw/zinc/39/52/07/502395207.db2.gz RFAGAOPDRNMXLH-IBGZPJMESA-N 0 3 370.453 3.048 20 5 FGBDHN COCc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1F ZINC000472596185 502396545 /nfs/dbraw/zinc/39/65/45/502396545.db2.gz HQGAWEPTYZUAEA-SJORKVTESA-N 0 3 362.405 3.350 20 5 FGBDHN COC(=O)[C@@H](C)Oc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000483623202 502445459 /nfs/dbraw/zinc/44/54/59/502445459.db2.gz JSGUPNRLXLFITF-CQSZACIVSA-N 0 3 358.394 3.133 20 5 FGBDHN C[C@@H](N[C@@H](C)CN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483722745 502475768 /nfs/dbraw/zinc/47/57/68/502475768.db2.gz IYUNCLOGMXYXRR-ZWKOTPCHSA-N 0 3 368.481 3.456 20 5 FGBDHN C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483722744 502476090 /nfs/dbraw/zinc/47/60/90/502476090.db2.gz IYUNCLOGMXYXRR-ROUUACIJSA-N 0 3 368.481 3.456 20 5 FGBDHN CN(C)C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000483907503 502518246 /nfs/dbraw/zinc/51/82/46/502518246.db2.gz SGVVFYGUKFAYMX-INIZCTEOSA-N 0 3 364.352 3.297 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000487823964 502540240 /nfs/dbraw/zinc/54/02/40/502540240.db2.gz QFHKFQFMQLIUNI-UHFFFAOYSA-N 0 3 370.453 3.391 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000487861136 502549332 /nfs/dbraw/zinc/54/93/32/502549332.db2.gz QUBOIGZCSJQAGN-GJZGRUSLSA-N 0 3 362.474 3.392 20 5 FGBDHN C[C@@H](NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488004430 502596230 /nfs/dbraw/zinc/59/62/30/502596230.db2.gz AOUONQFODAXUAJ-HUUCEWRRSA-N 0 3 360.458 3.172 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006504 502597346 /nfs/dbraw/zinc/59/73/46/502597346.db2.gz GGUQAXCNXASSSD-LUXYFRNMSA-N 0 3 360.458 3.028 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488049515 502612214 /nfs/dbraw/zinc/61/22/14/502612214.db2.gz MDBFJQGIMHRYRX-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073968 502619104 /nfs/dbraw/zinc/61/91/04/502619104.db2.gz MQPARTKIHCEQRO-LSDHHAIUSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@H](NC[C@H](C)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480613499 502621191 /nfs/dbraw/zinc/62/11/91/502621191.db2.gz JPKRNXUZZLPFIX-ROUUACIJSA-N 0 3 368.481 3.456 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000462934530 502631748 /nfs/dbraw/zinc/63/17/48/502631748.db2.gz HDWIAFNFGXGVFC-LZLYRXPVSA-N 0 3 361.486 3.400 20 5 FGBDHN CN(C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470153093 502681143 /nfs/dbraw/zinc/68/11/43/502681143.db2.gz WQMDHVVQZWBUSO-KRWDZBQOSA-N 0 3 360.389 3.028 20 5 FGBDHN COC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000470155443 502683477 /nfs/dbraw/zinc/68/34/77/502683477.db2.gz XLCQYHSVTIEFFF-SFHVURJKSA-N 0 3 362.813 3.469 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000470170775 502692197 /nfs/dbraw/zinc/69/21/97/502692197.db2.gz AFJVQUACAJTAMJ-XOQYZJNISA-N 0 3 357.454 3.333 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCC(N)=O)Cc1ccccc1 ZINC000470177018 502696027 /nfs/dbraw/zinc/69/60/27/502696027.db2.gz OHNAEHUKVQNQRG-VBKFSLOCSA-N 0 3 353.422 3.376 20 5 FGBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470215652 502706668 /nfs/dbraw/zinc/70/66/68/502706668.db2.gz XASARDNKIDVSLM-VECLJIIPSA-N 0 3 362.426 3.041 20 5 FGBDHN CC[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466945924 502736079 /nfs/dbraw/zinc/73/60/79/502736079.db2.gz GGJHOFIAHSWQAW-MJGOQNOKSA-N 0 3 356.422 3.171 20 5 FGBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC000488721014 502790386 /nfs/dbraw/zinc/79/03/86/502790386.db2.gz ZZVXAPYGSUBIOB-IBGZPJMESA-N 0 3 356.401 3.328 20 5 FGBDHN CN1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC000488721015 502790507 /nfs/dbraw/zinc/79/05/07/502790507.db2.gz ZZVXAPYGSUBIOB-LJQANCHMSA-N 0 3 356.401 3.328 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488924178 502839176 /nfs/dbraw/zinc/83/91/76/502839176.db2.gz YLJGSTRVVWQRJC-GASCZTMLSA-N 0 3 362.474 3.392 20 5 FGBDHN COC(=O)CCC[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000513273650 502893667 /nfs/dbraw/zinc/89/36/67/502893667.db2.gz YYOJGSDSMFPUPQ-UONOGXRCSA-N 0 3 374.441 3.463 20 5 FGBDHN O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593018361 506340280 /nfs/dbraw/zinc/34/02/80/506340280.db2.gz LFLKHFKBQRGYAQ-CHWSQXEVSA-N 0 3 358.316 3.232 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489446615 502960289 /nfs/dbraw/zinc/96/02/89/502960289.db2.gz ISIOOCQJEDPGCR-ZBFHGGJFSA-N 0 3 374.485 3.480 20 5 FGBDHN CCN1C[C@@H](C)N(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000497535063 502981802 /nfs/dbraw/zinc/98/18/02/502981802.db2.gz SZUDDBMKIPELTO-HUUCEWRRSA-N 0 3 355.442 3.279 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000497722975 503024584 /nfs/dbraw/zinc/02/45/84/503024584.db2.gz HKZYPNCZDONXBC-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000510542193 503139089 /nfs/dbraw/zinc/13/90/89/503139089.db2.gz XVXIERMDVAQYFV-ACJLOTCBSA-N 0 3 359.401 3.464 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCN1C1CCCC1 ZINC000599166732 506356000 /nfs/dbraw/zinc/35/60/00/506356000.db2.gz ZIMLZTAVJQQUDL-GFCCVEGCSA-N 0 3 355.236 3.181 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000514785636 503192539 /nfs/dbraw/zinc/19/25/39/503192539.db2.gz KVQCVBGVLJRSCR-KRWDZBQOSA-N 0 3 370.453 3.452 20 5 FGBDHN CC1(C)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000582674795 506358935 /nfs/dbraw/zinc/35/89/35/506358935.db2.gz OZPBABHCMMCISM-LBPRGKRZSA-N 0 3 356.220 3.074 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000599182791 506362702 /nfs/dbraw/zinc/36/27/02/506362702.db2.gz BLBBTENFTGOGGD-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN CCc1cc(N[C@@H](C)C2=CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511376049 503309780 /nfs/dbraw/zinc/30/97/80/503309780.db2.gz FTSJRZWPCMZPSV-AWEZNQCLSA-N 0 3 367.453 3.098 20 5 FGBDHN COc1cc(CN[C@H](C)c2ccc(-n3ccnn3)cc2)ccc1[N+](=O)[O-] ZINC000492955517 503396122 /nfs/dbraw/zinc/39/61/22/503396122.db2.gz SZQLLJHRYKUICK-CYBMUJFWSA-N 0 3 353.382 3.035 20 5 FGBDHN NC(=O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000493105132 503407117 /nfs/dbraw/zinc/40/71/17/503407117.db2.gz OQNMCLWNHCYURZ-SFHVURJKSA-N 0 3 353.422 3.320 20 5 FGBDHN COc1cc(CN[C@@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000512198346 503484259 /nfs/dbraw/zinc/48/42/59/503484259.db2.gz AYYJWJQKQOVFIP-MWLCHTKSSA-N 0 3 362.398 3.088 20 5 FGBDHN COC[C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)OC ZINC000512402017 503537991 /nfs/dbraw/zinc/53/79/91/503537991.db2.gz USYSMDPFPSSLTG-INIZCTEOSA-N 0 3 364.373 3.277 20 5 FGBDHN CC(C)(C)OC(=O)[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495061525 503654275 /nfs/dbraw/zinc/65/42/75/503654275.db2.gz TVGMGVXIUUBVRP-AWEZNQCLSA-N 0 3 350.415 3.027 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000536866897 503744225 /nfs/dbraw/zinc/74/42/25/503744225.db2.gz AUNBFXXCZAHHSK-ZIAGYGMSSA-N 0 3 351.472 3.064 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C(C)C)C1 ZINC000536866889 503744688 /nfs/dbraw/zinc/74/46/88/503744688.db2.gz AUNBFXXCZAHHSK-KBPBESRZSA-N 0 3 351.472 3.064 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCS1(=O)=O ZINC000543427028 503765898 /nfs/dbraw/zinc/76/58/98/503765898.db2.gz BZUDBRLLRXTDIO-ZIAGYGMSSA-N 0 3 372.512 3.022 20 5 FGBDHN CC(C)(C(=O)N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546564086 503789265 /nfs/dbraw/zinc/78/92/65/503789265.db2.gz NMVQXIGWCYEBNY-ZDUSSCGKSA-N 0 3 363.433 3.145 20 5 FGBDHN C[C@H](C(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000543521882 503801163 /nfs/dbraw/zinc/80/11/63/503801163.db2.gz SQZDUJOSUCJCMV-MCIONIFRSA-N 0 3 351.422 3.217 20 5 FGBDHN C[C@H](C(=O)N1CCCN(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543552204 503810569 /nfs/dbraw/zinc/81/05/69/503810569.db2.gz OEKCCRUAVJFBLM-ZDUSSCGKSA-N 0 3 351.422 3.170 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000540589076 503825744 /nfs/dbraw/zinc/82/57/44/503825744.db2.gz PNMIGJXNLIPUGY-HXUWFJFHSA-N 0 3 370.405 3.486 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000543642946 503838845 /nfs/dbraw/zinc/83/88/45/503838845.db2.gz JPVDVSOYONIJKY-KRWDZBQOSA-N 0 3 360.389 3.467 20 5 FGBDHN COc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1[N+](=O)[O-] ZINC000543928457 503943286 /nfs/dbraw/zinc/94/32/86/503943286.db2.gz SRUPFUVHEASPLP-UHFFFAOYSA-N 0 3 355.394 3.452 20 5 FGBDHN COc1ccccc1[C@]1(C)C[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518361950 503963734 /nfs/dbraw/zinc/96/37/34/503963734.db2.gz INGDUKUPRDWYTD-QUCCMNQESA-N 0 3 369.421 3.252 20 5 FGBDHN Cc1cc(NC[C@@H](CO)Cc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541172314 504031169 /nfs/dbraw/zinc/03/11/69/504031169.db2.gz PFSLZVSTMURLIV-INIZCTEOSA-N 0 3 351.406 3.136 20 5 FGBDHN CC(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000541280653 504071966 /nfs/dbraw/zinc/07/19/66/504071966.db2.gz HLSPCJFWUBMXGI-SFHVURJKSA-N 0 3 362.451 3.355 20 5 FGBDHN CN(C)Cc1ccc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000530872216 504114416 /nfs/dbraw/zinc/11/44/16/504114416.db2.gz DQMYWXUFKYWNBR-UHFFFAOYSA-N 0 3 354.366 3.285 20 5 FGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000541687283 504221344 /nfs/dbraw/zinc/22/13/44/504221344.db2.gz SCRGJLAYUWMHJX-QHRIQVFBSA-N 0 3 355.394 3.076 20 5 FGBDHN COc1cc(OC)cc(OCCCNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538420929 504242731 /nfs/dbraw/zinc/24/27/31/504242731.db2.gz YCBZKSCOVLTKQP-UHFFFAOYSA-N 0 3 360.410 3.479 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000534869042 504265426 /nfs/dbraw/zinc/26/54/26/504265426.db2.gz LDZVVOVAMJPSEF-NRFANRHFSA-N 0 3 367.449 3.127 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000544896575 504294098 /nfs/dbraw/zinc/29/40/98/504294098.db2.gz AHZJHQPOAJPRAS-MRXNPFEDSA-N 0 3 365.393 3.419 20 5 FGBDHN COC1CCN(C2(CNc3nc(C)cc(C)c3[N+](=O)[O-])CCCC2)CC1 ZINC000541935230 504307817 /nfs/dbraw/zinc/30/78/17/504307817.db2.gz PUDPHUFTMXRXND-UHFFFAOYSA-N 0 3 362.474 3.442 20 5 FGBDHN Cc1ccc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320599 504450508 /nfs/dbraw/zinc/45/05/08/504450508.db2.gz RDUAXIGTCWQAIT-IEBWSBKVSA-N 0 3 356.422 3.132 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)(F)F ZINC000539054292 504458681 /nfs/dbraw/zinc/45/86/81/504458681.db2.gz KEMQYRPVQVKNTE-MNOVXSKESA-N 0 3 352.378 3.368 20 5 FGBDHN C[C@@H](Cn1cc(Br)cn1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539297407 504523048 /nfs/dbraw/zinc/52/30/48/504523048.db2.gz CNMXLARHKWKDGF-QWRGUYRKSA-N 0 3 353.220 3.293 20 5 FGBDHN C[C@H](Cn1cc(Br)cn1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000539297403 504523359 /nfs/dbraw/zinc/52/33/59/504523359.db2.gz CNMXLARHKWKDGF-GHMZBOCLSA-N 0 3 353.220 3.293 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000542879283 504644586 /nfs/dbraw/zinc/64/45/86/504644586.db2.gz NBEOAYOIFVQKJC-INIZCTEOSA-N 0 3 370.327 3.316 20 5 FGBDHN CCN1CCN([C@@H](C)CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549107232 504688231 /nfs/dbraw/zinc/68/82/31/504688231.db2.gz HWYXXFMBRKQJNU-ZDUSSCGKSA-N 0 3 374.407 3.360 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000532655247 504726824 /nfs/dbraw/zinc/72/68/24/504726824.db2.gz UVTLSTUAMICRHL-WIYYLYMNSA-N 0 3 368.433 3.486 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000532672019 504731743 /nfs/dbraw/zinc/73/17/43/504731743.db2.gz YDVHCYLEECFRKI-UHFFFAOYSA-N 0 3 357.410 3.155 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCCN(Cc3ccccc3)CC2)s1 ZINC000552925537 504789655 /nfs/dbraw/zinc/78/96/55/504789655.db2.gz XIZIYDXDUZCPIY-UHFFFAOYSA-N 0 3 369.450 3.312 20 5 FGBDHN CN(C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553150786 504838418 /nfs/dbraw/zinc/83/84/18/504838418.db2.gz FKMYMMOLYRGUBO-OAHLLOKOSA-N 0 3 362.817 3.062 20 5 FGBDHN COc1ccc(CNCCC(=O)Nc2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000559683106 504909227 /nfs/dbraw/zinc/90/92/27/504909227.db2.gz MMNRFUWXQFCTSU-UHFFFAOYSA-N 0 3 361.373 3.169 20 5 FGBDHN CSc1cccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000565734123 504971380 /nfs/dbraw/zinc/97/13/80/504971380.db2.gz QKIXMKVTIBUBPE-CYBMUJFWSA-N 0 3 363.483 3.263 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000553675969 504980028 /nfs/dbraw/zinc/98/00/28/504980028.db2.gz YKOHNTIXZUFISP-FQEVSTJZSA-N 0 3 352.438 3.401 20 5 FGBDHN Cc1ccc2c(c1C)OC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562983912 505009872 /nfs/dbraw/zinc/00/98/72/505009872.db2.gz GJJLOQKBZKXPLR-MRXNPFEDSA-N 0 3 355.394 3.264 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556920148 505017466 /nfs/dbraw/zinc/01/74/66/505017466.db2.gz FAWLWTAROAZYTD-QWHCGFSZSA-N 0 3 372.512 3.021 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCCN(Cc4ccccc4)CC3)nc2c1 ZINC000553818919 505018580 /nfs/dbraw/zinc/01/85/80/505018580.db2.gz GHQDAIBRLGTPSM-UHFFFAOYSA-N 0 3 365.437 3.179 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000550327634 505022813 /nfs/dbraw/zinc/02/28/13/505022813.db2.gz ZKNLGNVNUCAPJZ-BHIYHBOVSA-N 0 3 358.442 3.423 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000566335338 505146648 /nfs/dbraw/zinc/14/66/48/505146648.db2.gz WVYGDPTUCQMLIV-FQEVSTJZSA-N 0 3 374.412 3.040 20 5 FGBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000554740161 505254145 /nfs/dbraw/zinc/25/41/45/505254145.db2.gz QBANHUSNSJGCEM-SFHVURJKSA-N 0 3 368.437 3.020 20 5 FGBDHN CSc1cccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000558011041 505284384 /nfs/dbraw/zinc/28/43/84/505284384.db2.gz LZBSRWKTSOHFNR-GZBFAFLISA-N 0 3 363.483 3.119 20 5 FGBDHN O=C1C[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1ccccc1 ZINC000558068937 505300530 /nfs/dbraw/zinc/30/05/30/505300530.db2.gz GTPYPGTUZVEXIW-PKOBYXMFSA-N 0 3 365.433 3.311 20 5 FGBDHN CN(C)C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552026807 505374159 /nfs/dbraw/zinc/37/41/59/505374159.db2.gz FAEGXYHURDJCDZ-AWEZNQCLSA-N 0 3 361.829 3.323 20 5 FGBDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552140858 505412992 /nfs/dbraw/zinc/41/29/92/505412992.db2.gz BYJVRIVHEQHSRL-AEFFLSMTSA-N 0 3 357.454 3.345 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](C3CC3)[C@@]3(CO)CCCO3)o2)cc1 ZINC000552425183 505489235 /nfs/dbraw/zinc/48/92/35/505489235.db2.gz IGLJSGUZTGIUNU-UXHICEINSA-N 0 3 372.421 3.265 20 5 FGBDHN C[C@H](C(=O)N1CCN(C2CCC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000564676126 505489324 /nfs/dbraw/zinc/48/93/24/505489324.db2.gz IDXHOMWCCPEHBC-KGLIPLIRSA-N 0 3 363.433 3.170 20 5 FGBDHN C[C@H](C(=O)NCCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000555722036 505501105 /nfs/dbraw/zinc/50/11/05/505501105.db2.gz ALVWVXAPGFPXQZ-INIZCTEOSA-N 0 3 367.449 3.263 20 5 FGBDHN Cc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000596424184 506398146 /nfs/dbraw/zinc/39/81/46/506398146.db2.gz QRSNJDKENMZENH-INIZCTEOSA-N 0 3 359.401 3.221 20 5 FGBDHN Cc1cccc2c1OC[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000589351610 506526119 /nfs/dbraw/zinc/52/61/19/506526119.db2.gz XTZWZPQKZQMJCF-YOEHRIQHSA-N 0 3 369.421 3.214 20 5 FGBDHN COc1cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000599626641 506538704 /nfs/dbraw/zinc/53/87/04/506538704.db2.gz XWUOAVPRLPRYCI-CIPCVPFUSA-N 0 3 374.384 3.149 20 5 FGBDHN CCN1C[C@@H](CN(C)CCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000603855640 506637580 /nfs/dbraw/zinc/63/75/80/506637580.db2.gz SUFWXQIAOVGONP-GOSISDBHSA-N 0 3 355.438 3.357 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590175823 506758698 /nfs/dbraw/zinc/75/86/98/506758698.db2.gz UYMMVOQCXRDTFY-RYUDHWBXSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000609309954 506845202 /nfs/dbraw/zinc/84/52/02/506845202.db2.gz PYDSCQOMEZGLMJ-UONOGXRCSA-N 0 3 363.483 3.209 20 5 FGBDHN CCN1CCN(c2cccc(NCCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000590596097 506872699 /nfs/dbraw/zinc/87/26/99/506872699.db2.gz XNJBNUVRILLEEK-UHFFFAOYSA-N 0 3 354.454 3.391 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2ccco2)C1 ZINC000609540407 506913718 /nfs/dbraw/zinc/91/37/18/506913718.db2.gz VISJIMJAAXXHHI-ZDUSSCGKSA-N 0 3 359.382 3.015 20 5 FGBDHN CN1CCC(N(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000609566660 506923218 /nfs/dbraw/zinc/92/32/18/506923218.db2.gz ANCNRKIBHJFPLO-UHFFFAOYSA-N 0 3 369.421 3.101 20 5 FGBDHN CN(CCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccncc1 ZINC000590870947 507011030 /nfs/dbraw/zinc/01/10/30/507011030.db2.gz RCUDRSIPUOUQPN-KRWDZBQOSA-N 0 3 368.437 3.222 20 5 FGBDHN CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000583894196 507035316 /nfs/dbraw/zinc/03/53/16/507035316.db2.gz IUMGXMNPQURYNU-ZDUSSCGKSA-N 0 3 365.480 3.411 20 5 FGBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594603319 507205631 /nfs/dbraw/zinc/20/56/31/507205631.db2.gz UCKVHLLPVXSDLO-WBVHZDCISA-N 0 3 360.458 3.162 20 5 FGBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594612708 507211084 /nfs/dbraw/zinc/21/10/84/507211084.db2.gz PWNYXDUBMSWDFX-BQFCYCMXSA-N 0 3 356.426 3.308 20 5 FGBDHN CC(C)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000610511555 507271327 /nfs/dbraw/zinc/27/13/27/507271327.db2.gz CEAFSUXHSKQXCN-UHFFFAOYSA-N 0 3 368.480 3.236 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279318 507319458 /nfs/dbraw/zinc/31/94/58/507319458.db2.gz DSSSEWLGQBOILR-PBHICJAKSA-N 0 3 371.412 3.374 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000598262393 507349537 /nfs/dbraw/zinc/34/95/37/507349537.db2.gz JRELUXSQDRRVMD-ZDUSSCGKSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccc2c(c1)OCCO2 ZINC000595003297 507351334 /nfs/dbraw/zinc/35/13/34/507351334.db2.gz GESJSGUHJDYTBS-ZDUSSCGKSA-N 0 3 358.394 3.268 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(CO)CCc2ccccc21 ZINC000595046360 507367071 /nfs/dbraw/zinc/36/70/71/507367071.db2.gz PXDHYTFCIUVMCN-VBKZILBWSA-N 0 3 356.422 3.131 20 5 FGBDHN CO[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595060208 507371720 /nfs/dbraw/zinc/37/17/20/507371720.db2.gz KAOSPVVGQDFNTJ-MISYRCLQSA-N 0 3 356.422 3.325 20 5 FGBDHN C[C@@H](O)[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595104800 507395577 /nfs/dbraw/zinc/39/55/77/507395577.db2.gz UXSUQCWWYIKHMO-LPMFXHHGSA-N 0 3 357.410 3.024 20 5 FGBDHN CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584585453 507427009 /nfs/dbraw/zinc/42/70/09/507427009.db2.gz FGMXBWWAOLOJEM-APWZRJJASA-N 0 3 372.421 3.010 20 5 FGBDHN CC(C)(C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595257381 507442999 /nfs/dbraw/zinc/44/29/99/507442999.db2.gz JJGHQOVZNHWPHS-SFHVURJKSA-N 0 3 369.421 3.172 20 5 FGBDHN COc1ccc(OCCNC2(c3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000592143054 507505951 /nfs/dbraw/zinc/50/59/51/507505951.db2.gz JKVLRWMAXZHGPG-UHFFFAOYSA-N 0 3 358.394 3.270 20 5 FGBDHN COC(=O)c1ccnc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598589907 507508655 /nfs/dbraw/zinc/50/86/55/507508655.db2.gz VPQFOLQETYFXFU-UKRRQHHQSA-N 0 3 370.409 3.024 20 5 FGBDHN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000595476639 507518751 /nfs/dbraw/zinc/51/87/51/507518751.db2.gz MPWTXLXXESBLBT-LLVKDONJSA-N 0 3 363.355 3.486 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCOc4ccccc43)C2)nc1 ZINC000611272357 507597296 /nfs/dbraw/zinc/59/72/96/507597296.db2.gz BCCXKALNSAJYLF-GJZGRUSLSA-N 0 3 354.410 3.042 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595665532 507619315 /nfs/dbraw/zinc/61/93/15/507619315.db2.gz VOOPATNYWVCZIZ-FUHWJXTLSA-N 0 3 374.485 3.357 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000614771075 507647243 /nfs/dbraw/zinc/64/72/43/507647243.db2.gz RIKOSDOOPHKBKK-HNAYVOBHSA-N 0 3 357.458 3.156 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592523794 507695013 /nfs/dbraw/zinc/69/50/13/507695013.db2.gz QIWNKGGLRFNYPZ-GOSISDBHSA-N 0 3 353.422 3.042 20 5 FGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000611477041 507699042 /nfs/dbraw/zinc/69/90/42/507699042.db2.gz QZIVUFNYMZKOLP-UHFFFAOYSA-N 0 3 351.472 3.313 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1CCC(F)CC1 ZINC000595817686 507699383 /nfs/dbraw/zinc/69/93/83/507699383.db2.gz AYEIKSNNHGJWSE-HIFPTAJRSA-N 0 3 353.394 3.048 20 5 FGBDHN CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602545566 507743695 /nfs/dbraw/zinc/74/36/95/507743695.db2.gz FWKOZFCKBAJKMD-BXUZGUMPSA-N 0 3 373.375 3.350 20 5 FGBDHN CN(C)C(=O)[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602545569 507744614 /nfs/dbraw/zinc/74/46/14/507744614.db2.gz FWKOZFCKBAJKMD-SMDDNHRTSA-N 0 3 373.375 3.350 20 5 FGBDHN CC1(C)[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)[C@@H]2CCO[C@H]21 ZINC000602560770 507750036 /nfs/dbraw/zinc/75/00/36/507750036.db2.gz TYFNFWTURWQOFW-JMJZKYOTSA-N 0 3 361.261 3.322 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1)N(C)C ZINC000519613494 562137076 /nfs/dbraw/zinc/13/70/76/562137076.db2.gz NTFQYDZRRGHLIG-UGSOOPFHSA-N 0 3 354.414 3.049 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000763964723 723381863 /nfs/dbraw/zinc/38/18/63/723381863.db2.gz SNWFXNKMGOFFCT-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000725850188 722424905 /nfs/dbraw/zinc/42/49/05/722424905.db2.gz PTCCVTWXOQSGAF-OAHLLOKOSA-N 0 3 356.300 3.317 20 5 FGBDHN COC(=O)[C@@H](C)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000761217931 723134364 /nfs/dbraw/zinc/13/43/64/723134364.db2.gz ZNULMOTVWLMNST-JTQLQIEISA-N 0 3 371.231 3.131 20 5 FGBDHN CN(CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272161 724126982 /nfs/dbraw/zinc/12/69/82/724126982.db2.gz QTQJCZBOZKFWRR-QGZVFWFLSA-N 0 3 350.802 3.292 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000809999998 725281599 /nfs/dbraw/zinc/28/15/99/725281599.db2.gz UOVRGXOVCLADHS-QGZVFWFLSA-N 0 3 371.840 3.419 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCOC[C@H]1CCOC1 ZINC000811482544 725368574 /nfs/dbraw/zinc/36/85/74/725368574.db2.gz ZDILBGRVHZRMQZ-LLVKDONJSA-N 0 3 363.241 3.434 20 5 FGBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000813102112 726838854 /nfs/dbraw/zinc/83/88/54/726838854.db2.gz BIDAFIJPYYHTLU-VIFPVBQESA-N 0 3 357.288 3.022 20 5 FGBDHN Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813102518 726839037 /nfs/dbraw/zinc/83/90/37/726839037.db2.gz HMKQCGYAIQKTBZ-LLVKDONJSA-N 0 3 359.407 3.277 20 5 FGBDHN CC(COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)[N+](=O)[O-] ZINC000813100136 726839069 /nfs/dbraw/zinc/83/90/69/726839069.db2.gz NLWNNVWVRUEVBO-QMMMGPOBSA-N 0 3 372.164 3.398 20 5 FGBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1Cl ZINC000813114525 726840146 /nfs/dbraw/zinc/84/01/46/726840146.db2.gz SJLASAWTZHWQMZ-LLVKDONJSA-N 0 3 351.790 3.471 20 5 FGBDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831391977 729638751 /nfs/dbraw/zinc/63/87/51/729638751.db2.gz CCJFMVAKUJDYIO-ANGCBRKESA-N 0 3 369.849 3.224 20 5 FGBDHN Cc1nc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845875084 730905227 /nfs/dbraw/zinc/90/52/27/730905227.db2.gz LFRCVACSZHJSSF-MGPLVRAMSA-N 0 3 352.387 3.473 20 5 FGBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])sc2nccn12 ZINC000845878982 730905758 /nfs/dbraw/zinc/90/57/58/730905758.db2.gz UMDCIIABYDICTO-ZANVPECISA-N 0 3 363.370 3.407 20 5 FGBDHN Cc1nc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)s1 ZINC000845884349 730906009 /nfs/dbraw/zinc/90/60/09/730906009.db2.gz XZABSOVISTWKPL-FVMDXXJSSA-N 0 3 352.387 3.391 20 5 FGBDHN CCOC(=O)C(C)(C)CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883542 730906077 /nfs/dbraw/zinc/90/60/77/730906077.db2.gz UOAWVYVKNMBYLR-IAQYHMDHSA-N 0 3 355.362 3.055 20 5 FGBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033275 732907124 /nfs/dbraw/zinc/90/71/24/732907124.db2.gz USZPVVBBDIQIEH-CYBMUJFWSA-N 0 3 351.834 3.303 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c(C(F)F)c1 ZINC000865435559 733200343 /nfs/dbraw/zinc/20/03/43/733200343.db2.gz KGBGAEKKHAZUMO-AWEZNQCLSA-N 0 3 355.385 3.224 20 5 FGBDHN C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872022565 735577347 /nfs/dbraw/zinc/57/73/47/735577347.db2.gz JVKFLZWQBDRSLZ-LBPRGKRZSA-N 0 3 351.422 3.422 20 5 FGBDHN COC1CCN(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872040598 735580764 /nfs/dbraw/zinc/58/07/64/735580764.db2.gz ASAPCYPTTJDYJG-CYBMUJFWSA-N 0 3 353.488 3.078 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCC[C@H]2CCC3(CCOCC3)CO2)c(F)c1 ZINC000886300461 739242259 /nfs/dbraw/zinc/24/22/59/739242259.db2.gz IPUDUQPMFGWBDH-MRXNPFEDSA-N 0 3 352.406 3.189 20 5 FGBDHN Cc1csc(C[C@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000886691837 739285454 /nfs/dbraw/zinc/28/54/54/739285454.db2.gz NRPWXPYWEVQAGW-PBHICJAKSA-N 0 3 361.467 3.348 20 5 FGBDHN O=[N+]([O-])c1c(NC[C@H]2CCN2C2CCOCC2)cccc1C(F)(F)F ZINC000896526098 742562178 /nfs/dbraw/zinc/56/21/78/742562178.db2.gz SMTITPRRDCAPQR-GFCCVEGCSA-N 0 3 359.348 3.279 20 5 FGBDHN O=[N+]([O-])c1sc(CNCC[C@H]2CCCC[C@H]2O)cc1Br ZINC000897536303 742687017 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FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000580124985 505681249 /nfs/dbraw/zinc/68/12/49/505681249.db2.gz MNKHVCBCFGWXLE-UHFFFAOYSA-N 0 3 363.458 3.332 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000048246324 493807178 /nfs/dbraw/zinc/80/71/78/493807178.db2.gz IXRLPQDASJGTIF-KRWDZBQOSA-N 0 3 374.416 3.129 20 5 FGBDHN CN(C)[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057987949 493819147 /nfs/dbraw/zinc/81/91/47/493819147.db2.gz WGRUWXYTGPTVBM-LJQANCHMSA-N 0 3 370.453 3.206 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000029166764 493822238 /nfs/dbraw/zinc/82/22/38/493822238.db2.gz NBGMYYOXOHOQBL-GOSISDBHSA-N 0 3 371.437 3.416 20 5 FGBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000049981794 493888814 /nfs/dbraw/zinc/88/88/14/493888814.db2.gz SUAMOXUDJVFBKU-INIZCTEOSA-N 0 3 374.485 3.120 20 5 FGBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCCCC2)CC1 ZINC000049981912 493889069 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FGBDHN CCN(CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000071798509 494101046 /nfs/dbraw/zinc/10/10/46/494101046.db2.gz YLGCCWZILBZFDH-IBGZPJMESA-N 0 3 371.437 3.173 20 5 FGBDHN CN1CCC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000568471692 505702596 /nfs/dbraw/zinc/70/25/96/505702596.db2.gz XDHHDAQSZDSFRO-SECBINFHSA-N 0 3 368.306 3.398 20 5 FGBDHN CNC(=O)c1ccc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000064915936 494158766 /nfs/dbraw/zinc/15/87/66/494158766.db2.gz JSEHYOYOEOFKHF-RHSMWYFYSA-N 0 3 368.437 3.202 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1sccc1C ZINC000041894081 494185817 /nfs/dbraw/zinc/18/58/17/494185817.db2.gz RGNDKFOTBWNWIP-UHFFFAOYSA-N 0 3 363.439 3.434 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000088230263 494217374 /nfs/dbraw/zinc/21/73/74/494217374.db2.gz HECUGWLCBVXMCV-UHFFFAOYSA-N 0 3 351.790 3.045 20 5 FGBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089305351 494286018 /nfs/dbraw/zinc/28/60/18/494286018.db2.gz FYHIWVXGVYSRJB-UHFFFAOYSA-N 0 3 367.405 3.375 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000089580608 494325299 /nfs/dbraw/zinc/32/52/99/494325299.db2.gz MQWYIUQNYSEKRD-AWEZNQCLSA-N 0 3 358.394 3.486 20 5 FGBDHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000015582517 494360846 /nfs/dbraw/zinc/36/08/46/494360846.db2.gz VIKDROHPTRXMCS-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000066726867 494396369 /nfs/dbraw/zinc/39/63/69/494396369.db2.gz NJTCFOJFZNMQBJ-UHFFFAOYSA-N 0 3 371.437 3.327 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000090082898 494438433 /nfs/dbraw/zinc/43/84/33/494438433.db2.gz AEGOXIZKQBMEAR-CQSZACIVSA-N 0 3 352.431 3.230 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCCCC2)C1=O ZINC000090463867 494470100 /nfs/dbraw/zinc/47/01/00/494470100.db2.gz LVSRCEZAOJMBOP-YJBOKZPZSA-N 0 3 359.470 3.439 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079535605 494474635 /nfs/dbraw/zinc/47/46/35/494474635.db2.gz ALHIOWHSFBELKQ-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000079553903 494479300 /nfs/dbraw/zinc/47/93/00/494479300.db2.gz WAIDJEUYXMYCOD-APWZRJJASA-N 0 3 367.449 3.307 20 5 FGBDHN CN1CCN(C)c2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C1 ZINC000091043454 494516919 /nfs/dbraw/zinc/51/69/19/494516919.db2.gz XBEDIZVUOYCWAH-UHFFFAOYSA-N 0 3 355.398 3.120 20 5 FGBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074447058 494537969 /nfs/dbraw/zinc/53/79/69/494537969.db2.gz PTSCLEJVOJKAFU-IBGZPJMESA-N 0 3 353.422 3.331 20 5 FGBDHN CCOc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000046723402 494557146 /nfs/dbraw/zinc/55/71/46/494557146.db2.gz USTLXBZRRXSSMH-UHFFFAOYSA-N 0 3 373.409 3.186 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000091631533 494633937 /nfs/dbraw/zinc/63/39/37/494633937.db2.gz AMPBUTGGVTVXCW-HNNXBMFYSA-N 0 3 371.441 3.170 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000047119594 494635978 /nfs/dbraw/zinc/63/59/78/494635978.db2.gz UPZSSWIZNSTDRX-KBPBESRZSA-N 0 3 360.458 3.019 20 5 FGBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000121194170 494640266 /nfs/dbraw/zinc/64/02/66/494640266.db2.gz PJJQSVVERSCTLU-UHFFFAOYSA-N 0 3 363.439 3.114 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H](N4CCCCC4)C3)n2)cc1 ZINC000108376982 494692199 /nfs/dbraw/zinc/69/21/99/494692199.db2.gz PVHMRPKAZQXHEG-KRWDZBQOSA-N 0 3 371.441 3.095 20 5 FGBDHN Cc1nc(N(C)CCC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000092696018 494713871 /nfs/dbraw/zinc/71/38/71/494713871.db2.gz JRWXGJNVUSISNG-UHFFFAOYSA-N 0 3 355.442 3.436 20 5 FGBDHN COc1ccc(-c2ccc(CN(C)C[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000091899411 494719821 /nfs/dbraw/zinc/71/98/21/494719821.db2.gz AWBXXASLYFUDBF-ACJLOTCBSA-N 0 3 360.410 3.456 20 5 FGBDHN CCOc1ccc(C(=O)N(C2CC2)C2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000057371159 494723686 /nfs/dbraw/zinc/72/36/86/494723686.db2.gz RYBCVNBSAMKUSQ-UHFFFAOYSA-N 0 3 361.442 3.082 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000126386800 494733194 /nfs/dbraw/zinc/73/31/94/494733194.db2.gz AGZCUNHLQWRXGX-PBHICJAKSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000116215975 494735374 /nfs/dbraw/zinc/73/53/74/494735374.db2.gz KNRXNIPRSFDYDZ-AWEZNQCLSA-N 0 3 368.437 3.132 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000025420826 494738122 /nfs/dbraw/zinc/73/81/22/494738122.db2.gz XKDWJUIXNLZPQM-KSSFIOAISA-N 0 3 373.478 3.495 20 5 FGBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132475 494772735 /nfs/dbraw/zinc/77/27/35/494772735.db2.gz DMHVMACBRYQARL-GOSISDBHSA-N 0 3 370.453 3.026 20 5 FGBDHN CN(CCN1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092974789 494799347 /nfs/dbraw/zinc/79/93/47/494799347.db2.gz ZGWHMUKPSOWVKY-UHFFFAOYSA-N 0 3 361.467 3.087 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(F)c1 ZINC000026223912 494811243 /nfs/dbraw/zinc/81/12/43/494811243.db2.gz CKBFWBXTEJMWOK-UHFFFAOYSA-N 0 3 361.373 3.203 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026221415 494811666 /nfs/dbraw/zinc/81/16/66/494811666.db2.gz DRYZSPMHWPUILZ-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN CN(CCOc1ccc(F)cc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026336791 494818410 /nfs/dbraw/zinc/81/84/10/494818410.db2.gz LBFNWYBBKTXFDG-UHFFFAOYSA-N 0 3 361.373 3.073 20 5 FGBDHN COc1cc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC ZINC000093324732 494870727 /nfs/dbraw/zinc/87/07/27/494870727.db2.gz XUJMSGMMQZVYED-ZDUSSCGKSA-N 0 3 360.410 3.381 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000132540393 494890054 /nfs/dbraw/zinc/89/00/54/494890054.db2.gz ILXFMHOHEGKBFN-MFKMUULPSA-N 0 3 359.348 3.168 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)nc1 ZINC000093534334 494898600 /nfs/dbraw/zinc/89/86/00/494898600.db2.gz AJPYOGZTMPSEAA-MRXNPFEDSA-N 0 3 364.409 3.066 20 5 FGBDHN C[C@@H](c1cccc(O)c1)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117340790 494912125 /nfs/dbraw/zinc/91/21/25/494912125.db2.gz WDFWTLNIIFYVHK-ZDUSSCGKSA-N 0 3 371.393 3.291 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000133709302 495050434 /nfs/dbraw/zinc/05/04/34/495050434.db2.gz VAHYBIGRVNBCPM-JSGCOSHPSA-N 0 3 366.364 3.272 20 5 FGBDHN Cc1nc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000134013533 495093851 /nfs/dbraw/zinc/09/38/51/495093851.db2.gz ZDGPXBFBQCVJEW-MRXNPFEDSA-N 0 3 354.410 3.149 20 5 FGBDHN COc1ccc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000123265333 495106326 /nfs/dbraw/zinc/10/63/26/495106326.db2.gz APRLKIBVAKWEMI-ZDUSSCGKSA-N 0 3 357.410 3.455 20 5 FGBDHN CC(C)CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C)CC1 ZINC000134634634 495179310 /nfs/dbraw/zinc/17/93/10/495179310.db2.gz KSDADNDMHDLIMV-UHFFFAOYSA-N 0 3 372.469 3.197 20 5 FGBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CN(C)CCO1 ZINC000129248323 495216951 /nfs/dbraw/zinc/21/69/51/495216951.db2.gz SIMJYHDMEUFPKG-GUYCJALGSA-N 0 3 361.467 3.132 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@H](CCCN4C4CC4)C3)nc2c1 ZINC000134927530 495224912 /nfs/dbraw/zinc/22/49/12/495224912.db2.gz JCFDHCUQUIFYDH-CXAGYDPISA-N 0 3 356.426 3.185 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c[nH+]ccc2-n2cc(C)cn2)c1 ZINC000124306402 495266480 /nfs/dbraw/zinc/26/64/80/495266480.db2.gz BYQVTLIKJLZBLL-UHFFFAOYSA-N 0 3 369.406 3.458 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000129700415 495282775 /nfs/dbraw/zinc/28/27/75/495282775.db2.gz LQVCAHGGMJTYSB-RHSMWYFYSA-N 0 3 359.451 3.469 20 5 FGBDHN CC(C)CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104663527 495295107 /nfs/dbraw/zinc/29/51/07/495295107.db2.gz CAMFEWWKPQBNON-UHFFFAOYSA-N 0 3 358.442 3.066 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN(CCO)Cc3ccccc3)o2)c1 ZINC000104673730 495295605 /nfs/dbraw/zinc/29/56/05/495295605.db2.gz UVOYRQAJPYWMSQ-UHFFFAOYSA-N 0 3 367.405 3.287 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000124589021 495312274 /nfs/dbraw/zinc/31/22/74/495312274.db2.gz APGVPDKBRKOYLA-LJQANCHMSA-N 0 3 373.428 3.258 20 5 FGBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000113989131 495342298 /nfs/dbraw/zinc/34/22/98/495342298.db2.gz XKKGRKGGTFRDLZ-UHFFFAOYSA-N 0 3 372.381 3.434 20 5 FGBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000106071647 495409420 /nfs/dbraw/zinc/40/94/20/495409420.db2.gz FVKSXRBSQMLXRU-UHFFFAOYSA-N 0 3 354.454 3.215 20 5 FGBDHN CC[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125794986 495500776 /nfs/dbraw/zinc/50/07/76/495500776.db2.gz LHYSUJZRVSZCMV-SFHVURJKSA-N 0 3 362.451 3.380 20 5 FGBDHN CCOCCCN1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521448 495513659 /nfs/dbraw/zinc/51/36/59/495513659.db2.gz NAQJQMKRUNRPSS-PBHICJAKSA-N 0 3 363.458 3.346 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000173500586 495561276 /nfs/dbraw/zinc/56/12/76/495561276.db2.gz AUMUKCYEEHJTOW-NEPJUHHUSA-N 0 3 373.375 3.464 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N2CCCC2)cc1 ZINC000176274072 495574381 /nfs/dbraw/zinc/57/43/81/495574381.db2.gz INTXVVIQJRJNOS-SFHVURJKSA-N 0 3 368.437 3.052 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000147292549 495574635 /nfs/dbraw/zinc/57/46/35/495574635.db2.gz LMAXHUPTPCBGCK-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)nc2c1 ZINC000179518727 495626817 /nfs/dbraw/zinc/62/68/17/495626817.db2.gz RPSKUGIEJWNZGG-LBPRGKRZSA-N 0 3 368.397 3.111 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)nc2c1 ZINC000179518727 495626825 /nfs/dbraw/zinc/62/68/25/495626825.db2.gz RPSKUGIEJWNZGG-LBPRGKRZSA-N 0 3 368.397 3.111 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N(C)C)cc1 ZINC000159237080 495689713 /nfs/dbraw/zinc/68/97/13/495689713.db2.gz RSZIUUDMPCUSSM-GOSISDBHSA-N 0 3 371.437 3.199 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CCCO)c1ccccc1 ZINC000179756963 495720486 /nfs/dbraw/zinc/72/04/86/495720486.db2.gz LWJULKOBJFRYCZ-IBGZPJMESA-N 0 3 371.437 3.335 20 5 FGBDHN Cc1cc(C)cc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000182887102 495742535 /nfs/dbraw/zinc/74/25/35/495742535.db2.gz INYRCDAWBASFIE-HNNXBMFYSA-N 0 3 353.422 3.452 20 5 FGBDHN NC(=O)c1ccc(CNC2(Cc3ccccc3)CCCC2)c([N+](=O)[O-])c1 ZINC000185835575 495743400 /nfs/dbraw/zinc/74/34/00/495743400.db2.gz SORVUUPQKJNTKS-UHFFFAOYSA-N 0 3 353.422 3.339 20 5 FGBDHN O=[N+]([O-])c1c(NCC2CCN(c3ccncc3)CC2)nc2sccn21 ZINC000180044170 495835104 /nfs/dbraw/zinc/83/51/04/495835104.db2.gz DRODKYFGIWTIPK-UHFFFAOYSA-N 0 3 358.427 3.028 20 5 FGBDHN CN1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC000180104145 495860330 /nfs/dbraw/zinc/86/03/30/495860330.db2.gz CEWHQPXPILOHJE-OALUTQOASA-N 0 3 364.405 3.251 20 5 FGBDHN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1Oc2ccccc2O[C@H]1C ZINC000171446525 495878266 /nfs/dbraw/zinc/87/82/66/495878266.db2.gz SPUSHQPBBFQKAQ-OAVHHTNSSA-N 0 3 354.362 3.101 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160143336 495895150 /nfs/dbraw/zinc/89/51/50/495895150.db2.gz RJEODXOXXWAWQH-JTQLQIEISA-N 0 3 360.336 3.077 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000183244586 495895745 /nfs/dbraw/zinc/89/57/45/495895745.db2.gz QSJOOTDGCVQDGU-MRXNPFEDSA-N 0 3 351.410 3.326 20 5 FGBDHN C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000151784813 495947210 /nfs/dbraw/zinc/94/72/10/495947210.db2.gz GPOWKZCIQZBHJU-SNVBAGLBSA-N 0 3 355.320 3.166 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183401053 495966319 /nfs/dbraw/zinc/96/63/19/495966319.db2.gz NFWRALXJIJSSHN-AWEZNQCLSA-N 0 3 359.401 3.432 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000183499055 496010519 /nfs/dbraw/zinc/01/05/19/496010519.db2.gz VOPLGXGOHSATHI-JQWIXIFHSA-N 0 3 369.874 3.082 20 5 FGBDHN CSc1cccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000186471881 496011219 /nfs/dbraw/zinc/01/12/19/496011219.db2.gz YULLGEJXTJYHKK-AWEZNQCLSA-N 0 3 363.483 3.407 20 5 FGBDHN COC(=O)[C@@H](C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000177413102 496053011 /nfs/dbraw/zinc/05/30/11/496053011.db2.gz LSLPVNUUAWSOJR-KSSFIOAISA-N 0 3 358.394 3.114 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177501369 496088189 /nfs/dbraw/zinc/08/81/89/496088189.db2.gz RCHMQACUGRANDK-CALCHBBNSA-N 0 3 361.486 3.306 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000174943339 496175472 /nfs/dbraw/zinc/17/54/72/496175472.db2.gz YDODALLGANMAGH-QGZVFWFLSA-N 0 3 353.422 3.189 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174949257 496178481 /nfs/dbraw/zinc/17/84/81/496178481.db2.gz QUESMKGRNXOEHF-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152696661 496229784 /nfs/dbraw/zinc/22/97/84/496229784.db2.gz ODMSQXMGYCWPFE-YJBOKZPZSA-N 0 3 365.474 3.001 20 5 FGBDHN CCNC(=O)C(C)(C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181137404 496283479 /nfs/dbraw/zinc/28/34/79/496283479.db2.gz FYIJQQKFDJRLCQ-GOSISDBHSA-N 0 3 355.438 3.436 20 5 FGBDHN CCOC(=O)CC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000162091365 496294660 /nfs/dbraw/zinc/29/46/60/496294660.db2.gz HVCMUMNGRCKYRZ-HNNXBMFYSA-N 0 3 350.415 3.029 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000181271603 496335941 /nfs/dbraw/zinc/33/59/41/496335941.db2.gz OQKMRJGDLFLMBU-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN Cc1c(CC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000187218974 496345477 /nfs/dbraw/zinc/34/54/77/496345477.db2.gz JBSAMBYHIPJSIH-FOIQADDNSA-N 0 3 355.438 3.253 20 5 FGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181307513 496347697 /nfs/dbraw/zinc/34/76/97/496347697.db2.gz YKLKOTBFRNTGDI-CQSZACIVSA-N 0 3 371.393 3.281 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCO[C@H]3CCOC3)cs2)c1 ZINC000153105252 496355315 /nfs/dbraw/zinc/35/53/15/496355315.db2.gz JIKYDNIDCLLTQQ-INIZCTEOSA-N 0 3 363.439 3.004 20 5 FGBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000153357922 496430211 /nfs/dbraw/zinc/43/02/11/496430211.db2.gz JDQWBWCLQWESFK-IAQYHMDHSA-N 0 3 352.822 3.196 20 5 FGBDHN COc1ccc([C@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000153699263 496550071 /nfs/dbraw/zinc/55/00/71/496550071.db2.gz DPEPJIDRRGJPCQ-MSOLQXFVSA-N 0 3 372.421 3.483 20 5 FGBDHN COc1cccc(COC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821825 496559310 /nfs/dbraw/zinc/55/93/10/496559310.db2.gz AQXBTHXMBIHGRZ-QAPCUYQASA-N 0 3 374.437 3.140 20 5 FGBDHN COC[C@@](C)(CCO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000175857596 496575968 /nfs/dbraw/zinc/57/59/68/496575968.db2.gz UNQQGVMWOBYOPZ-QGZVFWFLSA-N 0 3 350.440 3.200 20 5 FGBDHN C[C@H](SCCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000157891752 496578640 /nfs/dbraw/zinc/57/86/40/496578640.db2.gz AVOSQLIZOHEJII-VIFPVBQESA-N 0 3 365.377 3.235 20 5 FGBDHN CC[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956884 505854506 /nfs/dbraw/zinc/85/45/06/505854506.db2.gz NYNHDGQCSRTHIU-WMZOPIPTSA-N 0 3 374.437 3.426 20 5 FGBDHN CN(Cc1cc2ccccc2o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181939811 496605403 /nfs/dbraw/zinc/60/54/03/496605403.db2.gz FTHKHQIZLFGWNM-OAHLLOKOSA-N 0 3 356.378 3.213 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCOC3)o2)c(Br)c1 ZINC000178995955 496639006 /nfs/dbraw/zinc/63/90/06/496639006.db2.gz NCAKUEXHPWVPKU-SNVBAGLBSA-N 0 3 367.199 3.496 20 5 FGBDHN Cc1ccc(Sc2ccc(CNC[C@]3(O)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000179029267 496650716 /nfs/dbraw/zinc/65/07/16/496650716.db2.gz JZURHQKPHJTKDZ-LJQANCHMSA-N 0 3 374.462 3.295 20 5 FGBDHN CC(C)C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000173390462 496671555 /nfs/dbraw/zinc/67/15/55/496671555.db2.gz CVZHARHVRBQVSK-LBPRGKRZSA-N 0 3 361.364 3.320 20 5 FGBDHN C[C@@H](C(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185177809 496693116 /nfs/dbraw/zinc/69/31/16/496693116.db2.gz KMHHCLVGNXTDPP-GDBMZVCRSA-N 0 3 363.433 3.314 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000182280447 496725533 /nfs/dbraw/zinc/72/55/33/496725533.db2.gz IJSXEPCDCRCAEA-ZDUSSCGKSA-N 0 3 371.393 3.311 20 5 FGBDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268892718 496816562 /nfs/dbraw/zinc/81/65/62/496816562.db2.gz JQMADLRXKTVDFI-CABCVRRESA-N 0 3 374.510 3.220 20 5 FGBDHN Cc1ccc([C@@H](C)NCCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000191617258 496833809 /nfs/dbraw/zinc/83/38/09/496833809.db2.gz HSCKOBDJMOORLE-OAHLLOKOSA-N 0 3 353.422 3.252 20 5 FGBDHN CC(C)C[C@@]1(CO)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191656131 496847883 /nfs/dbraw/zinc/84/78/83/496847883.db2.gz XGBQGACJXJPQPL-GOSISDBHSA-N 0 3 360.414 3.018 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000269364814 496930117 /nfs/dbraw/zinc/93/01/17/496930117.db2.gz KHDSIKHERWEATD-OAHLLOKOSA-N 0 3 371.441 3.008 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269558979 496970177 /nfs/dbraw/zinc/97/01/77/496970177.db2.gz PTQNRLGSZKJYQC-NSHDSACASA-N 0 3 359.348 3.027 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCc3cn4c(n3)SCC4)o2)cc1 ZINC000274251839 497052614 /nfs/dbraw/zinc/05/26/14/497052614.db2.gz KJQIXMOLWLTNEK-UHFFFAOYSA-N 0 3 370.434 3.489 20 5 FGBDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000278287277 497063153 /nfs/dbraw/zinc/06/31/53/497063153.db2.gz QOSCZVRKKKAEAR-LJQANCHMSA-N 0 3 374.462 3.307 20 5 FGBDHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265602595 497146420 /nfs/dbraw/zinc/14/64/20/497146420.db2.gz IMISQYNGVLVOIX-UHFFFAOYSA-N 0 3 365.433 3.396 20 5 FGBDHN Cc1ccc(C(=O)NCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192714991 497193429 /nfs/dbraw/zinc/19/34/29/497193429.db2.gz ZJODZOZETUUHSB-LJQANCHMSA-N 0 3 353.422 3.300 20 5 FGBDHN CCC[C@@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810851 497220381 /nfs/dbraw/zinc/22/03/81/497220381.db2.gz YWRINFWTIFRXAC-SJLPKXTDSA-N 0 3 355.442 3.485 20 5 FGBDHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266072768 497248183 /nfs/dbraw/zinc/24/81/83/497248183.db2.gz DFDXFIFRKGFVFL-YOEHRIQHSA-N 0 3 361.467 3.380 20 5 FGBDHN CN(C)CCOc1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193059102 497290434 /nfs/dbraw/zinc/29/04/34/497290434.db2.gz VVAKQVZAPQGIHV-IBGZPJMESA-N 0 3 370.453 3.097 20 5 FGBDHN COc1ccc(CNC(=O)Nc2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000275604359 497378722 /nfs/dbraw/zinc/37/87/22/497378722.db2.gz HIKPRYYCAXCWOZ-UHFFFAOYSA-N 0 3 372.425 3.029 20 5 FGBDHN COC(=O)c1cnc(NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000190164498 497382708 /nfs/dbraw/zinc/38/27/08/497382708.db2.gz XJFDPZOUFAIQJA-QGZVFWFLSA-N 0 3 370.409 3.025 20 5 FGBDHN CN(CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccccc1 ZINC000193522235 497402803 /nfs/dbraw/zinc/40/28/03/497402803.db2.gz UUMGHMYYSLUJSV-UHFFFAOYSA-N 0 3 354.410 3.023 20 5 FGBDHN COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000190333905 497440679 /nfs/dbraw/zinc/44/06/79/497440679.db2.gz GBCXSLJAQUMJHR-AUUYWEPGSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1c(NC(=O)CCN[C@H](C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000271758711 497440918 /nfs/dbraw/zinc/44/09/18/497440918.db2.gz OMBIOAUXXQUVCZ-CYBMUJFWSA-N 0 3 372.381 3.491 20 5 FGBDHN Cc1c([C@H](C)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000245573965 497462883 /nfs/dbraw/zinc/46/28/83/497462883.db2.gz DBWHFGDYYZTQMG-QXAKKESOSA-N 0 3 369.465 3.189 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000272160681 497551479 /nfs/dbraw/zinc/55/14/79/497551479.db2.gz NPSCSNUQNRQHLQ-NSHDSACASA-N 0 3 354.838 3.442 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262483063 497563787 /nfs/dbraw/zinc/56/37/87/497563787.db2.gz ZRDVBTCUYFLEDS-FZKQIMNGSA-N 0 3 371.462 3.079 20 5 FGBDHN CCOc1cc(CN[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000276836866 497667052 /nfs/dbraw/zinc/66/70/52/497667052.db2.gz BWDGFTLLRKVKQB-CQSZACIVSA-N 0 3 367.409 3.425 20 5 FGBDHN CC(C)(NCCC(=O)Nc1cc(N)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000292075308 497867214 /nfs/dbraw/zinc/86/72/14/497867214.db2.gz DZOKQTFJKRTPPY-UHFFFAOYSA-N 0 3 360.389 3.170 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000364341507 497909665 /nfs/dbraw/zinc/90/96/65/497909665.db2.gz JVSHSSQWVKYPAE-UXHICEINSA-N 0 3 354.406 3.150 20 5 FGBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000364376484 497927879 /nfs/dbraw/zinc/92/78/79/497927879.db2.gz JMXRAATXZKQDMO-UHFFFAOYSA-N 0 3 368.437 3.050 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CN1C1CC1 ZINC000281302177 498096993 /nfs/dbraw/zinc/09/69/93/498096993.db2.gz RMDPGISZGVEGMY-HIFRSBDPSA-N 0 3 366.421 3.012 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364704171 498101934 /nfs/dbraw/zinc/10/19/34/498101934.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 0 3 370.453 3.123 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000301448911 498113978 /nfs/dbraw/zinc/11/39/78/498113978.db2.gz FBFJEABIZRIYCS-UHFFFAOYSA-N 0 3 359.401 3.303 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)CN2CCCCC2)cc1Cl ZINC000301646370 498205008 /nfs/dbraw/zinc/20/50/08/498205008.db2.gz DDFYJDDOYMOTEU-NSHDSACASA-N 0 3 355.822 3.321 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301722342 498239057 /nfs/dbraw/zinc/23/90/57/498239057.db2.gz NOQKMVSJYCAUNM-CYBMUJFWSA-N 0 3 370.247 3.023 20 5 FGBDHN Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835551 498286911 /nfs/dbraw/zinc/28/69/11/498286911.db2.gz ULBFCYQPSKETHD-ZFWWWQNUSA-N 0 3 353.426 3.397 20 5 FGBDHN COc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000569770245 506011702 /nfs/dbraw/zinc/01/17/02/506011702.db2.gz JPYDRRCCEMMCNM-SFHVURJKSA-N 0 3 372.421 3.273 20 5 FGBDHN CCc1nn(C)c(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000301919981 498327752 /nfs/dbraw/zinc/32/77/52/498327752.db2.gz CLCFYTQYTOELPS-RHSMWYFYSA-N 0 3 357.458 3.213 20 5 FGBDHN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CCC2)C1 ZINC000293628590 498433742 /nfs/dbraw/zinc/43/37/42/498433742.db2.gz GHEDSCQBWGEEDG-ZDUSSCGKSA-N 0 3 356.426 3.023 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000302200661 498440520 /nfs/dbraw/zinc/44/05/20/498440520.db2.gz ZCKDEFZTUJQRFU-UHFFFAOYSA-N 0 3 356.426 3.171 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000302795373 498578769 /nfs/dbraw/zinc/57/87/69/498578769.db2.gz OPIYJPVQCATVSH-GOSISDBHSA-N 0 3 356.426 3.001 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000294087737 498585146 /nfs/dbraw/zinc/58/51/46/498585146.db2.gz KAEKRWJSXAUXHW-GOSISDBHSA-N 0 3 359.451 3.367 20 5 FGBDHN CC(C)(NC(=O)C1C[C@@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000294202703 498619609 /nfs/dbraw/zinc/61/96/09/498619609.db2.gz TUWLKTNYWBDKLE-PBHICJAKSA-N 0 3 368.389 3.251 20 5 FGBDHN Cc1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000282960666 498726538 /nfs/dbraw/zinc/72/65/38/498726538.db2.gz KJFBATZRDHNGDQ-KRWDZBQOSA-N 0 3 354.410 3.299 20 5 FGBDHN CSc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000572915399 506082288 /nfs/dbraw/zinc/08/22/88/506082288.db2.gz SNKLPFKIKMGTIP-AWEZNQCLSA-N 0 3 365.480 3.411 20 5 FGBDHN CC(C)(CN1CCCC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000308628134 498744767 /nfs/dbraw/zinc/74/47/67/498744767.db2.gz NWUMDJOYMJTDAP-UHFFFAOYSA-N 0 3 356.264 3.321 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000366142753 498795564 /nfs/dbraw/zinc/79/55/64/498795564.db2.gz HEJXOPDFMSQFLH-MAUKXSAKSA-N 0 3 368.437 3.287 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000283193244 498812319 /nfs/dbraw/zinc/81/23/19/498812319.db2.gz QXVJGHKPMSMBKC-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN C[C@@H](NCCc1nc2cc(F)ccc2n1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814074 498813194 /nfs/dbraw/zinc/81/31/94/498813194.db2.gz PXQPPLVDONGBRX-LLVKDONJSA-N 0 3 357.389 3.096 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000324570239 498828586 /nfs/dbraw/zinc/82/85/86/498828586.db2.gz WHCHXKNSFUHFGG-ZDUSSCGKSA-N 0 3 371.220 3.431 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291510594 498970523 /nfs/dbraw/zinc/97/05/23/498970523.db2.gz XEDLORMDXYKBTF-WMLDXEAASA-N 0 3 354.362 3.455 20 5 FGBDHN COCCn1ncc2c1[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])CCC2 ZINC000363962153 499069095 /nfs/dbraw/zinc/06/90/95/499069095.db2.gz CELDQAHBBLBRCS-ZGRWHYIRSA-N 0 3 356.426 3.118 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000370101233 499180612 /nfs/dbraw/zinc/18/06/12/499180612.db2.gz JWTKDESLKWYZHO-GOEBONIOSA-N 0 3 373.457 3.047 20 5 FGBDHN C[C@H](N[C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370162089 499190589 /nfs/dbraw/zinc/19/05/89/499190589.db2.gz NIITWMBVCOHKMD-GOEBONIOSA-N 0 3 368.437 3.013 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCO[C@]4(CCOC4)C3)o2)cc1 ZINC000367422831 499197267 /nfs/dbraw/zinc/19/72/67/499197267.db2.gz NORREVLVYWJCKI-DNVCBOLYSA-N 0 3 358.394 3.283 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1 ZINC000370375672 499214640 /nfs/dbraw/zinc/21/46/40/499214640.db2.gz WTBOEZPVQJMUGK-QAPCUYQASA-N 0 3 359.451 3.416 20 5 FGBDHN Cc1sc(C(=O)NC2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000368803948 499334531 /nfs/dbraw/zinc/33/45/31/499334531.db2.gz FINOOZBEWRKXRS-UHFFFAOYSA-N 0 3 365.480 3.421 20 5 FGBDHN Cc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000369571406 499420646 /nfs/dbraw/zinc/42/06/46/499420646.db2.gz WUKCJPDPRZTBQA-DYVFJYSZSA-N 0 3 359.451 3.388 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccn1)C1CCCC1 ZINC000373281305 499461311 /nfs/dbraw/zinc/46/13/11/499461311.db2.gz QIRXEBLIPWHSFX-UZLBHIALSA-N 0 3 371.437 3.251 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373487669 499472914 /nfs/dbraw/zinc/47/29/14/499472914.db2.gz XDBCZUYCUCSHNH-UHFFFAOYSA-N 0 3 357.376 3.490 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4nc[nH]n4)C3)cs2)c1 ZINC000378348123 499504502 /nfs/dbraw/zinc/50/45/02/499504502.db2.gz XDOSAJKTWUPLTB-CYBMUJFWSA-N 0 3 370.438 3.216 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000388431445 499550705 /nfs/dbraw/zinc/55/07/05/499550705.db2.gz UOGGUFHSLWDGKD-MSOLQXFVSA-N 0 3 352.438 3.257 20 5 FGBDHN C[C@@H](NCCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000390909742 499556243 /nfs/dbraw/zinc/55/62/43/499556243.db2.gz NRDVZYAZFKPTLO-GOSISDBHSA-N 0 3 368.481 3.063 20 5 FGBDHN CC(=O)c1cc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376174788 499588805 /nfs/dbraw/zinc/58/88/05/499588805.db2.gz UMGACAINKMDBMC-FDQGKXFDSA-N 0 3 361.442 3.099 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCN(c3ccncn3)C1)CCC2 ZINC000376464427 499610418 /nfs/dbraw/zinc/61/04/18/499610418.db2.gz QWDRREOJUPMOIQ-CRAIPNDOSA-N 0 3 353.426 3.021 20 5 FGBDHN Cc1cc(NCc2ccc(-n3ccnc3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000376540243 499616611 /nfs/dbraw/zinc/61/66/11/499616611.db2.gz OTLKGYHWKYNDLC-UHFFFAOYSA-N 0 3 360.377 3.066 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000411415886 499737219 /nfs/dbraw/zinc/73/72/19/499737219.db2.gz KLAZLXCTGLCBKW-QGZVFWFLSA-N 0 3 370.409 3.164 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000411416917 499737671 /nfs/dbraw/zinc/73/76/71/499737671.db2.gz LUFHHZCFCJEJSM-KRWDZBQOSA-N 0 3 370.409 3.164 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411918867 499803373 /nfs/dbraw/zinc/80/33/73/499803373.db2.gz ALXXUKQLVYOCEZ-IEBWSBKVSA-N 0 3 369.421 3.040 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411979708 499809284 /nfs/dbraw/zinc/80/92/84/499809284.db2.gz ILTQJHVBAYTGTB-GOSISDBHSA-N 0 3 353.422 3.026 20 5 FGBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000411988072 499810446 /nfs/dbraw/zinc/81/04/46/499810446.db2.gz VZDUDXJQVKTESJ-GBESFXJTSA-N 0 3 357.454 3.175 20 5 FGBDHN COc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000416334692 500019348 /nfs/dbraw/zinc/01/93/48/500019348.db2.gz RFQNWBYGGCBYSV-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN COc1cc(CNC[C@H]2CC23CCSCC3)c([N+](=O)[O-])cc1OC ZINC000421349773 500023216 /nfs/dbraw/zinc/02/32/16/500023216.db2.gz JYDXJMWPEBLVHK-CYBMUJFWSA-N 0 3 352.456 3.235 20 5 FGBDHN CCCN1C[C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000421357127 500025295 /nfs/dbraw/zinc/02/52/95/500025295.db2.gz ZIMHWDGNCRAEGS-CQSZACIVSA-N 0 3 357.410 3.203 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COCc2ccccc21 ZINC000417413984 500066802 /nfs/dbraw/zinc/06/68/02/500066802.db2.gz XZSZXPCQHKUWFV-FZKQIMNGSA-N 0 3 355.394 3.173 20 5 FGBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429805450 500148169 /nfs/dbraw/zinc/14/81/69/500148169.db2.gz INTFLVRTNAWKSX-OAHLLOKOSA-N 0 3 361.486 3.499 20 5 FGBDHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552185 506184345 /nfs/dbraw/zinc/18/43/45/506184345.db2.gz FAAIOANQIQJOCM-JXFKEZNVSA-N 0 3 356.422 3.137 20 5 FGBDHN CC(C)(NC(=O)NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000418645030 500300127 /nfs/dbraw/zinc/30/01/27/500300127.db2.gz VSUXUUNHXMQKGU-GOSISDBHSA-N 0 3 368.437 3.016 20 5 FGBDHN CC(C)(C)c1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424071170 500447237 /nfs/dbraw/zinc/44/72/37/500447237.db2.gz DUAVKHWZPYDWJT-HNNXBMFYSA-N 0 3 353.422 3.423 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420992666 500549308 /nfs/dbraw/zinc/54/93/08/500549308.db2.gz LAVGLTODLKAMKY-LSDHHAIUSA-N 0 3 366.364 3.321 20 5 FGBDHN CC1(C)C[C@H](N[C@@H]2CCCN(c3ncccn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433134126 500633005 /nfs/dbraw/zinc/63/30/05/500633005.db2.gz JUFHLNUZBRCHLK-KDOFPFPSSA-N 0 3 367.453 3.366 20 5 FGBDHN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCN1CCCC1 ZINC000447668618 500642347 /nfs/dbraw/zinc/64/23/47/500642347.db2.gz HFBMRVOYGOCNIR-UHFFFAOYSA-N 0 3 354.279 3.152 20 5 FGBDHN Cc1ccccc1CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447678806 500644478 /nfs/dbraw/zinc/64/44/78/500644478.db2.gz LXIGQVFJOJSJQY-UHFFFAOYSA-N 0 3 351.410 3.102 20 5 FGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000576674942 506208557 /nfs/dbraw/zinc/20/85/57/506208557.db2.gz ZPSBSYMIQYSSPW-UHFFFAOYSA-N 0 3 371.441 3.148 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963232 500697507 /nfs/dbraw/zinc/69/75/07/500697507.db2.gz MUXJROBDEFCOSV-YOEHRIQHSA-N 0 3 362.474 3.384 20 5 FGBDHN Cc1c(CC(=O)N(CCN(C)C)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000439114092 500858137 /nfs/dbraw/zinc/85/81/37/500858137.db2.gz GHOUXMQIGDRBIH-UHFFFAOYSA-N 0 3 361.486 3.416 20 5 FGBDHN C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315406 500883884 /nfs/dbraw/zinc/88/38/84/500883884.db2.gz BIRXCLZPZOXAIN-GDBMZVCRSA-N 0 3 353.422 3.462 20 5 FGBDHN COc1cc(CN(C[C@H](O)COc2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000444816835 500906792 /nfs/dbraw/zinc/90/67/92/500906792.db2.gz ZDIVHOMHCMDSJA-KRWDZBQOSA-N 0 3 374.437 3.254 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000439641553 500922239 /nfs/dbraw/zinc/92/22/39/500922239.db2.gz OQXPKQHXCLCSKH-WRFANHODSA-N 0 3 361.442 3.023 20 5 FGBDHN CCc1cccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440498475 501016294 /nfs/dbraw/zinc/01/62/94/501016294.db2.gz YGSMRNOXNCAHNX-MRXNPFEDSA-N 0 3 356.426 3.117 20 5 FGBDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000445887558 501047063 /nfs/dbraw/zinc/04/70/63/501047063.db2.gz SZOWALZVLUKLJT-ZDUSSCGKSA-N 0 3 359.348 3.051 20 5 FGBDHN COC[C@@]1(CO)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449699196 501064930 /nfs/dbraw/zinc/06/49/30/501064930.db2.gz PHOUHVQPWDMXJP-SFHVURJKSA-N 0 3 362.451 3.154 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000446045090 501066115 /nfs/dbraw/zinc/06/61/15/501066115.db2.gz PVIOKGJUFHLXHR-ZDUSSCGKSA-N 0 3 351.834 3.303 20 5 FGBDHN COc1cc(CNCC(C)(C)C2(O)CCCC2)c([N+](=O)[O-])cc1OC ZINC000449738196 501072101 /nfs/dbraw/zinc/07/21/01/501072101.db2.gz ZVSMSULPQOZOCM-UHFFFAOYSA-N 0 3 352.431 3.033 20 5 FGBDHN NC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000449744210 501072813 /nfs/dbraw/zinc/07/28/13/501072813.db2.gz FPJNVBGHYPTSPP-MNOVXSKESA-N 0 3 363.801 3.252 20 5 FGBDHN CCC[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1CCOC ZINC000450416345 501116798 /nfs/dbraw/zinc/11/67/98/501116798.db2.gz FVETUMQCZWOJNH-KRWDZBQOSA-N 0 3 358.442 3.080 20 5 FGBDHN CCC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1CCOC ZINC000450418057 501116931 /nfs/dbraw/zinc/11/69/31/501116931.db2.gz KQGLVUWTJBRLHH-OAHLLOKOSA-N 0 3 358.442 3.080 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000436399837 501120768 /nfs/dbraw/zinc/12/07/68/501120768.db2.gz GQCMCDYOPCQEQR-SMDDNHRTSA-N 0 3 350.312 3.307 20 5 FGBDHN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)C1CC1 ZINC000436419461 501124464 /nfs/dbraw/zinc/12/44/64/501124464.db2.gz XUNZPUFJIPGBPL-LBPRGKRZSA-N 0 3 367.424 3.033 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccc4c(n3)CCCC4)CC2)cn1 ZINC000602634636 506238770 /nfs/dbraw/zinc/23/87/70/506238770.db2.gz UBULRURKDWILHZ-UHFFFAOYSA-N 0 3 367.453 3.022 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000447077615 501202080 /nfs/dbraw/zinc/20/20/80/501202080.db2.gz OAVCYYPFRSCQBN-ZWKOTPCHSA-N 0 3 355.438 3.198 20 5 FGBDHN CCOCCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1CC ZINC000450311983 501231082 /nfs/dbraw/zinc/23/10/82/501231082.db2.gz KALTYRBEPJDKIU-MRXNPFEDSA-N 0 3 358.442 3.080 20 5 FGBDHN COc1ncc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1Cl ZINC000453302850 501311551 /nfs/dbraw/zinc/31/15/51/501311551.db2.gz ZJMMGGFEHFYDBJ-KBPBESRZSA-N 0 3 365.821 3.122 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@H]([C@@H](CO)C3CC3)C3CC3)co2)cc1 ZINC000451592214 501332177 /nfs/dbraw/zinc/33/21/77/501332177.db2.gz BOYJHMXSFDIIBG-ROUUACIJSA-N 0 3 357.410 3.137 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C(C)C)[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451601701 501334711 /nfs/dbraw/zinc/33/47/11/501334711.db2.gz UXAYEHLYMLHBRH-MPGHIAIKSA-N 0 3 365.474 3.109 20 5 FGBDHN C[C@@]1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453585059 501354808 /nfs/dbraw/zinc/35/48/08/501354808.db2.gz FYFBNEXIEJFOFK-IBGZPJMESA-N 0 3 373.384 3.285 20 5 FGBDHN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000458236918 501400471 /nfs/dbraw/zinc/40/04/71/501400471.db2.gz WGIFHDIAAMLOTR-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3cc(F)cc(F)c3)CC2)c1 ZINC000451923935 501401734 /nfs/dbraw/zinc/40/17/34/501401734.db2.gz NPAWKFCCPSLBDA-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)c1 ZINC000458299752 501415694 /nfs/dbraw/zinc/41/56/94/501415694.db2.gz UMXVPWHGYNBEAV-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[C@@H](C)C1 ZINC000452073137 501429521 /nfs/dbraw/zinc/42/95/21/501429521.db2.gz UUSXMYRDPOEPIW-AGIUHOORSA-N 0 3 363.414 3.066 20 5 FGBDHN O=C(NC1CCN(C2CC2)CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454203239 501481481 /nfs/dbraw/zinc/48/14/81/501481481.db2.gz CUFMOQHPJWWVAR-INIZCTEOSA-N 0 3 372.469 3.111 20 5 FGBDHN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000456318012 501496584 /nfs/dbraw/zinc/49/65/84/501496584.db2.gz ZRCVAZGVSRAYMG-INIZCTEOSA-N 0 3 367.449 3.497 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706771 506266313 /nfs/dbraw/zinc/26/63/13/506266313.db2.gz JNZPHMNAMXVNCV-KRWDZBQOSA-N 0 3 363.421 3.249 20 5 FGBDHN COc1ccc([C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000459726962 501704760 /nfs/dbraw/zinc/70/47/60/501704760.db2.gz DVJQPDZMGPEKMA-CQSZACIVSA-N 0 3 350.802 3.123 20 5 FGBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000467220885 501742712 /nfs/dbraw/zinc/74/27/12/501742712.db2.gz XPAVQGNKDUGLKZ-ZDUSSCGKSA-N 0 3 368.865 3.168 20 5 FGBDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843360 501805300 /nfs/dbraw/zinc/80/53/00/501805300.db2.gz CATXSTAHEPTOMR-MSOLQXFVSA-N 0 3 364.442 3.262 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)N(C)C)cc1 ZINC000474389970 501818879 /nfs/dbraw/zinc/81/88/79/501818879.db2.gz GKIWSMLDFUREOR-GOSISDBHSA-N 0 3 371.437 3.199 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NCCCCN2CCN(c3ccccc3)CC2)n1 ZINC000481702007 501855060 /nfs/dbraw/zinc/85/50/60/501855060.db2.gz FMZWNHGAOVJFBL-UHFFFAOYSA-N 0 3 369.469 3.313 20 5 FGBDHN Cc1cc(C)c2c(c1)CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000485885051 501976536 /nfs/dbraw/zinc/97/65/36/501976536.db2.gz UGRRZXGEOFBGBI-SFHVURJKSA-N 0 3 356.422 3.010 20 5 FGBDHN Cc1c(CN[C@H](C)CC(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000478505587 502003945 /nfs/dbraw/zinc/00/39/45/502003945.db2.gz YIIGYKLXWQIQIY-OAHLLOKOSA-N 0 3 355.438 3.130 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468458290 502063051 /nfs/dbraw/zinc/06/30/51/502063051.db2.gz IEFNXCWRACVKCR-CJNGLKHVSA-N 0 3 365.499 3.312 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccc(C(F)F)cc2[N+](=O)[O-])ccn1 ZINC000596178503 506294536 /nfs/dbraw/zinc/29/45/36/506294536.db2.gz JROGGXSSNPLYFB-UHFFFAOYSA-N 0 3 366.368 3.480 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccccc1F ZINC000468653105 502137319 /nfs/dbraw/zinc/13/73/19/502137319.db2.gz LZQNAVFLOJBOJJ-SDNWHVSQSA-N 0 3 357.385 3.157 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC(=O)NCc1ccccc1 ZINC000468652032 502137454 /nfs/dbraw/zinc/13/74/54/502137454.db2.gz OMYIIXIOTWDYQE-FOWTUZBSSA-N 0 3 353.422 3.294 20 5 FGBDHN COc1ccc(CN2C[C@@H](O)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813031 502143616 /nfs/dbraw/zinc/14/36/16/502143616.db2.gz XPFKSBAKPJXZDO-KDOFPFPSSA-N 0 3 372.421 3.138 20 5 FGBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000599057914 506297786 /nfs/dbraw/zinc/29/77/86/506297786.db2.gz CQHZYZCAAMJFSC-KRWDZBQOSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cc(NCCCN2CCC(O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461787453 502201998 /nfs/dbraw/zinc/20/19/98/502201998.db2.gz PNNIBCMLNBNNFU-UHFFFAOYSA-N 0 3 361.364 3.181 20 5 FGBDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948209 502248665 /nfs/dbraw/zinc/24/86/65/502248665.db2.gz MDYYMEGHPCDMQW-SJLPKXTDSA-N 0 3 373.428 3.337 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])ccn1 ZINC000599063576 506304950 /nfs/dbraw/zinc/30/49/50/506304950.db2.gz DAYDPXDLFUBSDU-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CSc1ccc(C(=O)N[C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000479806176 502383433 /nfs/dbraw/zinc/38/34/33/502383433.db2.gz RSBCGWWVMFTQHI-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN COCc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1F ZINC000472596184 502397170 /nfs/dbraw/zinc/39/71/70/502397170.db2.gz HQGAWEPTYZUAEA-IRXDYDNUSA-N 0 3 362.405 3.350 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466215807 502506146 /nfs/dbraw/zinc/50/61/46/502506146.db2.gz HHSVGVFCCOGFPL-BETUJISGSA-N 0 3 368.865 3.310 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3ccsc3)o2)c1 ZINC000473173431 502536130 /nfs/dbraw/zinc/53/61/30/502536130.db2.gz ZAQBDIOMJRNLGW-HNNXBMFYSA-N 0 3 359.407 3.177 20 5 FGBDHN CCS(=O)(=O)c1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000466402753 502560079 /nfs/dbraw/zinc/56/00/79/502560079.db2.gz ANFFMPFXMHCJQB-RMKNXTFCSA-N 0 3 360.435 3.191 20 5 FGBDHN C[C@H](CCc1ccsc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000462846625 502598676 /nfs/dbraw/zinc/59/86/76/502598676.db2.gz BNZWQUPYAAOHSG-CYBMUJFWSA-N 0 3 368.480 3.041 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@H]1C ZINC000488009571 502599170 /nfs/dbraw/zinc/59/91/70/502599170.db2.gz NRKGJOOGDDUFBU-DYVFJYSZSA-N 0 3 350.415 3.098 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473527134 502623263 /nfs/dbraw/zinc/62/32/63/502623263.db2.gz ZMARPWHVRMHOAS-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN O=c1cc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc[nH]1 ZINC000602855042 506327446 /nfs/dbraw/zinc/32/74/46/506327446.db2.gz OUSMQJJDGOYVSP-QAQDUYKDSA-N 0 3 357.410 3.001 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000463068799 502682226 /nfs/dbraw/zinc/68/22/26/502682226.db2.gz MMOZYQZNXYIIJA-OAHLLOKOSA-N 0 3 371.466 3.262 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000470170774 502692226 /nfs/dbraw/zinc/69/22/26/502692226.db2.gz AFJVQUACAJTAMJ-QIPRVMPFSA-N 0 3 357.454 3.333 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCCCC2=O)CC1 ZINC000470176592 502695968 /nfs/dbraw/zinc/69/59/68/502695968.db2.gz MAGYANNVSJSOCH-DTQAZKPQSA-N 0 3 357.454 3.475 20 5 FGBDHN CCO[C@@H]1C[C@H](O)C12CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470180584 502698600 /nfs/dbraw/zinc/69/86/00/502698600.db2.gz PHSWLKMUWYTIKS-YOYDVCCWSA-N 0 3 360.454 3.250 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488484643 502728833 /nfs/dbraw/zinc/72/88/33/502728833.db2.gz VEPNPXQGDJYMRI-LIRRHRJNSA-N 0 3 371.412 3.374 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488518004 502738689 /nfs/dbraw/zinc/73/86/89/502738689.db2.gz PIOBNLUKPDSCOV-CZUORRHYSA-N 0 3 359.451 3.297 20 5 FGBDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047571 502770997 /nfs/dbraw/zinc/77/09/97/502770997.db2.gz RTWHHNKFJKNVBP-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000513216856 502880289 /nfs/dbraw/zinc/88/02/89/502880289.db2.gz HPYKQKWWARHENQ-KRWDZBQOSA-N 0 3 357.385 3.128 20 5 FGBDHN O=C(C(C[C@H]1CCCO1)C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593018362 506339642 /nfs/dbraw/zinc/33/96/42/506339642.db2.gz LFLKHFKBQRGYAQ-OLZOCXBDSA-N 0 3 358.316 3.232 20 5 FGBDHN CC(C)N(CCN(C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501093122 502935507 /nfs/dbraw/zinc/93/55/07/502935507.db2.gz IZUIOSQNTAGJEH-UHFFFAOYSA-N 0 3 373.251 3.161 20 5 FGBDHN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000505614272 502950868 /nfs/dbraw/zinc/95/08/68/502950868.db2.gz VIWYPBAGXUWUTG-DJJJIMSYSA-N 0 3 366.421 3.497 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489446614 502960796 /nfs/dbraw/zinc/96/07/96/502960796.db2.gz ISIOOCQJEDPGCR-HOCLYGCPSA-N 0 3 374.485 3.480 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCC(CCCN3CCOCC3)CC2)c(F)c1 ZINC000506013469 503028399 /nfs/dbraw/zinc/02/83/99/503028399.db2.gz TYJMKZHINJKBRX-UHFFFAOYSA-N 0 3 365.449 3.058 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN(C3CCCC3)CC2)c1 ZINC000506384855 503106526 /nfs/dbraw/zinc/10/65/26/503106526.db2.gz KBSOGSCPPMPNCI-UHFFFAOYSA-N 0 3 355.385 3.256 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000510533994 503135979 /nfs/dbraw/zinc/13/59/79/503135979.db2.gz BCGYOWDIEHZYEK-LIRRHRJNSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1ccccc1[C@@H]1CNCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000514603715 503146832 /nfs/dbraw/zinc/14/68/32/503146832.db2.gz PIANFYBPYSTCJN-QJSCKGPTSA-N 0 3 353.422 3.263 20 5 FGBDHN COc1ccc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000593042344 506354996 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507183973 /nfs/dbraw/zinc/18/39/73/507183973.db2.gz WDRPSIACQNBOGU-KRWDZBQOSA-N 0 3 353.422 3.250 20 5 FGBDHN C[C@H](N[C@]1(CO)CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420579 507233301 /nfs/dbraw/zinc/23/33/01/507233301.db2.gz ZLDFJSQSPRFGQV-LAUBAEHRSA-N 0 3 369.465 3.273 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000610433008 507237291 /nfs/dbraw/zinc/23/72/91/507237291.db2.gz NLZHSKDRJVJCSM-KRWDZBQOSA-N 0 3 352.394 3.201 20 5 FGBDHN O=[N+]([O-])c1ccc2nccc(NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000601106212 507263647 /nfs/dbraw/zinc/26/36/47/507263647.db2.gz WCBSCIMBUHXQLC-UHFFFAOYSA-N 0 3 363.421 3.036 20 5 FGBDHN Cc1c(Br)cncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000594922426 507315575 /nfs/dbraw/zinc/31/55/75/507315575.db2.gz TWJWLAWCSZMCTK-UHFFFAOYSA-N 0 3 350.216 3.393 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000598218032 507321554 /nfs/dbraw/zinc/32/15/54/507321554.db2.gz CRPGWRZABRZHIC-CQSZACIVSA-N 0 3 361.442 3.130 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598259683 507346632 /nfs/dbraw/zinc/34/66/32/507346632.db2.gz FAKSPXYKSCGJHF-GFCCVEGCSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598259684 507346636 /nfs/dbraw/zinc/34/66/36/507346636.db2.gz FAKSPXYKSCGJHF-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(c2ccccn2)CC1 ZINC000595005635 507350464 /nfs/dbraw/zinc/35/04/64/507350464.db2.gz BVBYOPBQBNNUJV-CQSZACIVSA-N 0 3 356.426 3.318 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(C(=O)CC(C)C)CC1 ZINC000595012970 507353298 /nfs/dbraw/zinc/35/32/98/507353298.db2.gz HCQQJKXNSAWRQX-AWEZNQCLSA-N 0 3 363.458 3.291 20 5 FGBDHN COCCC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000614110423 507371329 /nfs/dbraw/zinc/37/13/29/507371329.db2.gz MVQZNDOJRPXEDR-UHFFFAOYSA-N 0 3 364.442 3.443 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595074553 507379469 /nfs/dbraw/zinc/37/94/69/507379469.db2.gz WZIRBZCGZLCZNV-BNRCMCLCSA-N 0 3 354.472 3.334 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000595074558 507380106 /nfs/dbraw/zinc/38/01/06/507380106.db2.gz WZIRBZCGZLCZNV-UMJSBCRBSA-N 0 3 354.472 3.334 20 5 FGBDHN O=[N+]([O-])c1ncccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000610770258 507384499 /nfs/dbraw/zinc/38/44/99/507384499.db2.gz MDBGEQVBBXVATO-UHFFFAOYSA-N 0 3 360.389 3.084 20 5 FGBDHN CCOc1ccc([C@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595104378 507392761 /nfs/dbraw/zinc/39/27/61/507392761.db2.gz PQQRRPGHBUEWNR-IFXJQAMLSA-N 0 3 366.458 3.212 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)[C@H](C)O ZINC000595101978 507393681 /nfs/dbraw/zinc/39/36/81/507393681.db2.gz GVJUHKUCGXMKKJ-BIENJYKASA-N 0 3 357.410 3.024 20 5 FGBDHN CSC[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000584558658 507408047 /nfs/dbraw/zinc/40/80/47/507408047.db2.gz BTYMBORKUIIDAF-QMMMGPOBSA-N 0 3 366.224 3.041 20 5 FGBDHN C[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595234548 507434860 /nfs/dbraw/zinc/43/48/60/507434860.db2.gz LESSSJPBBBJQFG-FZKQIMNGSA-N 0 3 370.409 3.138 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCNCc2ccnn2CCc2ccccc2)cc1 ZINC000598635839 507526394 /nfs/dbraw/zinc/52/63/94/507526394.db2.gz ZBAHOVUSOYNBQP-UHFFFAOYSA-N 0 3 366.421 3.203 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cn2c(cccc2C)n1 ZINC000592378663 507627417 /nfs/dbraw/zinc/62/74/17/507627417.db2.gz FBADCCFCJPYNBU-UHFFFAOYSA-N 0 3 354.410 3.282 20 5 FGBDHN C[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595703855 507637715 /nfs/dbraw/zinc/63/77/15/507637715.db2.gz ANUBZSWXGWZXOZ-MJXNMMHHSA-N 0 3 351.406 3.018 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404309 507664519 /nfs/dbraw/zinc/66/45/19/507664519.db2.gz GJTXKVPSVVEKBJ-APWZRJJASA-N 0 3 357.454 3.047 20 5 FGBDHN COc1cc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000611408158 507667791 /nfs/dbraw/zinc/66/77/91/507667791.db2.gz GYHGNIVMGAJRQF-ZDUSSCGKSA-N 0 3 353.382 3.035 20 5 FGBDHN CC[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000595765751 507675043 /nfs/dbraw/zinc/67/50/43/507675043.db2.gz NNBBBMQPGZLOTI-CQSZACIVSA-N 0 3 360.439 3.435 20 5 FGBDHN COc1cc(CN[C@@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000592534103 507699125 /nfs/dbraw/zinc/69/91/25/507699125.db2.gz XKSCGPWNTHVLFS-GXSJLCMTSA-N 0 3 362.398 3.231 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000611516475 507715668 /nfs/dbraw/zinc/71/56/68/507715668.db2.gz RSJNEIYYGWCAIL-INIZCTEOSA-N 0 3 367.449 3.483 20 5 FGBDHN O=C(Nc1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCO1 ZINC000602521548 507736776 /nfs/dbraw/zinc/73/67/76/507736776.db2.gz PGUDHKOVRSZSGC-LJQANCHMSA-N 0 3 369.421 3.045 20 5 FGBDHN COCC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000595910060 507737540 /nfs/dbraw/zinc/73/75/40/507737540.db2.gz PUKZDWPLMLMTKQ-UHFFFAOYSA-N 0 3 355.822 3.126 20 5 FGBDHN C[C@H](O)CC(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602550143 507746505 /nfs/dbraw/zinc/74/65/05/507746505.db2.gz HLJSGSFAURHQJU-QMMMGPOBSA-N 0 3 351.266 3.306 20 5 FGBDHN CCC[C@@H](CCO)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602559055 507749362 /nfs/dbraw/zinc/74/93/62/507749362.db2.gz SODIPFQGZWLOHV-VIFPVBQESA-N 0 3 351.266 3.307 20 5 FGBDHN CC[C@@H](C)N[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000588067098 507750661 /nfs/dbraw/zinc/75/06/61/507750661.db2.gz RPCKGQWCCMJHKB-MLGOLLRUSA-N 0 3 355.398 3.094 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000154658338 705044101 /nfs/dbraw/zinc/04/41/01/705044101.db2.gz SXZSDUDLAMSYGA-SFHVURJKSA-N 0 3 364.829 3.166 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000804812749 724553023 /nfs/dbraw/zinc/55/30/23/724553023.db2.gz SJVGCMLAFQGWKS-WCQYABFASA-N 0 3 367.833 3.098 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CCN2CCOCC2)CC1 ZINC000746662474 722612930 /nfs/dbraw/zinc/61/29/30/722612930.db2.gz AJQCLRUXYISYOK-UHFFFAOYSA-N 0 3 367.877 3.183 20 5 FGBDHN COc1cc(COC(=O)C(C)(C)N(C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000754878128 722947429 /nfs/dbraw/zinc/94/74/29/722947429.db2.gz HTTZVQFIHNUYHF-UHFFFAOYSA-N 0 3 350.415 3.300 20 5 FGBDHN CC(C)(C)CCN1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774845021 723935353 /nfs/dbraw/zinc/93/53/53/723935353.db2.gz CLOPTLLFLJYHQW-UHFFFAOYSA-N 0 3 350.419 3.057 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778262283 724316301 /nfs/dbraw/zinc/31/63/01/724316301.db2.gz SFBKIRBXARFTPJ-BETUJISGSA-N 0 3 355.385 3.066 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(OC(F)F)c(F)c2)c1 ZINC000819334461 727368413 /nfs/dbraw/zinc/36/84/13/727368413.db2.gz XCPKJBBXPJHBKV-CQSZACIVSA-N 0 3 356.300 3.159 20 5 FGBDHN CC(COC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000842364215 730490181 /nfs/dbraw/zinc/49/01/81/730490181.db2.gz UHRAOWINPUATTH-VXGBXAGGSA-N 0 3 352.387 3.094 20 5 FGBDHN Cc1cnc(CCCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845883475 730906094 /nfs/dbraw/zinc/90/60/94/730906094.db2.gz TUGQBFQDEJAFBT-YVEFUNNKSA-N 0 3 350.346 3.395 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000855899814 731966150 /nfs/dbraw/zinc/96/61/50/731966150.db2.gz VAISDCWAWKSHMG-CYBMUJFWSA-N 0 3 353.850 3.407 20 5 FGBDHN CN(C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1cccc(F)c1 ZINC000865407837 733193612 /nfs/dbraw/zinc/19/36/12/733193612.db2.gz NUFJWNLDMLKNBF-KRWDZBQOSA-N 0 3 351.353 3.080 20 5 FGBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827078 735935928 /nfs/dbraw/zinc/93/59/28/735935928.db2.gz BPCKWHJIXZBXCZ-STQMWFEESA-N 0 3 358.225 3.210 20 5 FGBDHN C[C@]1(C(F)(F)F)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000880002254 737096146 /nfs/dbraw/zinc/09/61/46/737096146.db2.gz IMNHTGZQQQZWMH-AWEZNQCLSA-N 0 3 363.311 3.337 20 5 FGBDHN O=C(CCN1CC[C@H](c2nccs2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880319525 737154552 /nfs/dbraw/zinc/15/45/52/737154552.db2.gz HXCHROPOSSBQIM-NSHDSACASA-N 0 3 364.402 3.009 20 5 FGBDHN COc1cc([C@H](C)NCCOCC(F)(F)C(F)F)cc([N+](=O)[O-])c1 ZINC000903159299 743814564 /nfs/dbraw/zinc/81/45/64/743814564.db2.gz FPHVHXIIVQZLLJ-VIFPVBQESA-N 0 3 354.300 3.171 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)CS(C)(=O)=O ZINC000926950343 759855259 /nfs/dbraw/zinc/85/52/59/759855259.db2.gz ODDGMZDWFFCVKV-LLVKDONJSA-N 0 3 360.501 3.038 20 5 FGBDHN C[C@H](N[C@H]1CCOC12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934389379 761619967 /nfs/dbraw/zinc/61/99/67/761619967.db2.gz DBRSDBVKNGIGJP-NHYWBVRUSA-N 0 3 367.833 3.267 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CN(C)Cc2ccccc21 ZINC000536848835 503740383 /nfs/dbraw/zinc/74/03/83/503740383.db2.gz ZWWUXQITGYREBU-KUHUBIRLSA-N 0 3 368.437 3.088 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000579869298 505635219 /nfs/dbraw/zinc/63/52/19/505635219.db2.gz PBGWXDWKGQTAPB-CJNGLKHVSA-N 0 3 360.414 3.116 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000573934588 505655547 /nfs/dbraw/zinc/65/55/47/505655547.db2.gz ZRFVJAKQPUEAJE-KUHUBIRLSA-N 0 3 351.406 3.257 20 5 FGBDHN CN(C)CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000058297757 493843462 /nfs/dbraw/zinc/84/34/62/493843462.db2.gz YBUHADAFPAAMKD-UHFFFAOYSA-N 0 3 352.394 3.285 20 5 FGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000081293583 493861783 /nfs/dbraw/zinc/86/17/83/493861783.db2.gz GRINBVFOWYRTGP-CQSZACIVSA-N 0 3 351.834 3.243 20 5 FGBDHN CSc1ccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000030534603 493896481 /nfs/dbraw/zinc/89/64/81/493896481.db2.gz XZOQARBODXXKFJ-BBRMVZONSA-N 0 3 362.451 3.407 20 5 FGBDHN CCCNC(=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000077590050 494123238 /nfs/dbraw/zinc/12/32/38/494123238.db2.gz MVGSIYYYXXSEQF-UHFFFAOYSA-N 0 3 370.453 3.369 20 5 FGBDHN NC(=O)c1ccc(NC[C@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550909 494133460 /nfs/dbraw/zinc/13/34/60/494133460.db2.gz YUQHGWGMNBAFEC-CYBMUJFWSA-N 0 3 374.466 3.079 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1cccs1 ZINC000065512356 494206499 /nfs/dbraw/zinc/20/64/99/494206499.db2.gz HJYCISUKGZCABO-KRWDZBQOSA-N 0 3 364.467 3.444 20 5 FGBDHN CN(CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281622 494215631 /nfs/dbraw/zinc/21/56/31/494215631.db2.gz OQKNKMFJVIWROU-UHFFFAOYSA-N 0 3 368.437 3.031 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000088250413 494220883 /nfs/dbraw/zinc/22/08/83/494220883.db2.gz HODZBRSJKBRBNW-UHFFFAOYSA-N 0 3 351.790 3.045 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C(C)C)C1 ZINC000072836712 494261860 /nfs/dbraw/zinc/26/18/60/494261860.db2.gz KFBWTYHWWWHJHO-MRXNPFEDSA-N 0 3 367.471 3.005 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000078441339 494297700 /nfs/dbraw/zinc/29/77/00/494297700.db2.gz AVGSORDKIVMIER-UHFFFAOYSA-N 0 3 370.453 3.165 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 ZINC000089580614 494325964 /nfs/dbraw/zinc/32/59/64/494325964.db2.gz MQWYIUQNYSEKRD-CQSZACIVSA-N 0 3 358.394 3.486 20 5 FGBDHN COc1ccc(CN2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055504532 494353740 /nfs/dbraw/zinc/35/37/40/494353740.db2.gz RYUXEBYTHVDFDQ-UHFFFAOYSA-N 0 3 355.438 3.311 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000045843267 494468525 /nfs/dbraw/zinc/46/85/25/494468525.db2.gz WCOJZLCVIPVZKR-SFHVURJKSA-N 0 3 371.437 3.173 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000079553902 494479661 /nfs/dbraw/zinc/47/96/61/494479661.db2.gz WAIDJEUYXMYCOD-QFBILLFUSA-N 0 3 367.449 3.307 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079670118 494505153 /nfs/dbraw/zinc/50/51/53/494505153.db2.gz CPSCHFHGYJUPGN-SFHVURJKSA-N 0 3 368.437 3.059 20 5 FGBDHN CNC(=O)CCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000074371746 494526303 /nfs/dbraw/zinc/52/63/03/494526303.db2.gz KTGDIZKXIAEQTK-UHFFFAOYSA-N 0 3 363.801 3.266 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000046721994 494556636 /nfs/dbraw/zinc/55/66/36/494556636.db2.gz IZKYKMDQWVMZDQ-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067536395 494560253 /nfs/dbraw/zinc/56/02/53/494560253.db2.gz PNMQVOPNZXNPCX-SFHVURJKSA-N 0 3 368.437 3.059 20 5 FGBDHN CNc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000023737931 494578542 /nfs/dbraw/zinc/57/85/42/494578542.db2.gz LFOGFKFYSKSTOR-LJQANCHMSA-N 0 3 368.437 3.203 20 5 FGBDHN Cc1ccc(CN2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587173 494677797 /nfs/dbraw/zinc/67/77/97/494677797.db2.gz RKNQFMIMNIIWAM-IRXDYDNUSA-N 0 3 361.486 3.224 20 5 FGBDHN O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000131652453 494686621 /nfs/dbraw/zinc/68/66/21/494686621.db2.gz FFHDKLNDLQIGNN-SFHVURJKSA-N 0 3 365.433 3.396 20 5 FGBDHN CC[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000131689699 494700987 /nfs/dbraw/zinc/70/09/87/494700987.db2.gz LTRYIAFJGQJQHP-GOSISDBHSA-N 0 3 362.451 3.380 20 5 FGBDHN COc1ccc(CNC(C)(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000116341121 494764151 /nfs/dbraw/zinc/76/41/51/494764151.db2.gz AJDBWYWEGHLTKD-UHFFFAOYSA-N 0 3 360.410 3.043 20 5 FGBDHN COc1cc(CN(CCN(C)C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000580363490 505741213 /nfs/dbraw/zinc/74/12/13/505741213.db2.gz AWYOEKCWYPNDRU-UHFFFAOYSA-N 0 3 373.453 3.176 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000121682142 494837641 /nfs/dbraw/zinc/83/76/41/494837641.db2.gz DFSXZYXLWUGFDP-UHFFFAOYSA-N 0 3 364.405 3.135 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1cccnc1 ZINC000093235310 494848422 /nfs/dbraw/zinc/84/84/22/494848422.db2.gz AAUZAOLDPMPKNQ-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN CC(C)[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000027369311 494865320 /nfs/dbraw/zinc/86/53/20/494865320.db2.gz UZHNIFHRYRVKGZ-FQEVSTJZSA-N 0 3 353.422 3.471 20 5 FGBDHN CC(C)CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCc2cccnc21 ZINC000126947380 494867105 /nfs/dbraw/zinc/86/71/05/494867105.db2.gz UTVFEPMNYHRVCO-SFHVURJKSA-N 0 3 370.453 3.187 20 5 FGBDHN Cc1c(CC(=O)NC[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000122219558 494942135 /nfs/dbraw/zinc/94/21/35/494942135.db2.gz VRGAYKBUADWMSN-HNNXBMFYSA-N 0 3 355.438 3.082 20 5 FGBDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 ZINC000122336288 494959873 /nfs/dbraw/zinc/95/98/73/494959873.db2.gz SIVNGJMWEOHLIV-UHFFFAOYSA-N 0 3 374.466 3.439 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102638408 495148257 /nfs/dbraw/zinc/14/82/57/495148257.db2.gz KKKKJQBMWUGTLR-UHFFFAOYSA-N 0 3 366.421 3.280 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 ZINC000134704965 495188833 /nfs/dbraw/zinc/18/88/33/495188833.db2.gz NGYIYMAEMHAQDF-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000129087828 495194185 /nfs/dbraw/zinc/19/41/85/495194185.db2.gz DUGFQPFYKUAMGF-UHFFFAOYSA-N 0 3 366.805 3.437 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000134897342 495218351 /nfs/dbraw/zinc/21/83/51/495218351.db2.gz WQGZTCJJCBCRHB-RHSMWYFYSA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000124046708 495225940 /nfs/dbraw/zinc/22/59/40/495225940.db2.gz KLQPAGFRUHAODS-JSGCOSHPSA-N 0 3 374.466 3.273 20 5 FGBDHN O=C(CCN1CCC[C@@H]1c1ccncc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129502845 495254456 /nfs/dbraw/zinc/25/44/56/495254456.db2.gz DFIXOXIJFZVMKD-QGZVFWFLSA-N 0 3 358.373 3.295 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000129750799 495290461 /nfs/dbraw/zinc/29/04/61/495290461.db2.gz MBDRFMGYEJVJKI-KDOFPFPSSA-N 0 3 353.422 3.319 20 5 FGBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000129965313 495320839 /nfs/dbraw/zinc/32/08/39/495320839.db2.gz YAWFHAZGAVGLLR-UHFFFAOYSA-N 0 3 369.421 3.051 20 5 FGBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136608778 495390246 /nfs/dbraw/zinc/39/02/46/495390246.db2.gz PLEDTXSZSRPFKS-GFCCVEGCSA-N 0 3 353.850 3.489 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121033347 495508637 /nfs/dbraw/zinc/50/86/37/495508637.db2.gz QKTFNACYGSFYCM-HZPDHXFCSA-N 0 3 374.485 3.389 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125868957 495511410 /nfs/dbraw/zinc/51/14/10/495511410.db2.gz HXRWUNHBPQSGBT-UHFFFAOYSA-N 0 3 361.364 3.273 20 5 FGBDHN COc1ccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000115515542 495513007 /nfs/dbraw/zinc/51/30/07/495513007.db2.gz FSXMBMLITRYVBZ-CQSZACIVSA-N 0 3 360.414 3.030 20 5 FGBDHN CC1CCN(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000173501050 495560977 /nfs/dbraw/zinc/56/09/77/495560977.db2.gz IDIWTKYRHZNFOR-UHFFFAOYSA-N 0 3 359.348 3.075 20 5 FGBDHN COC(=O)c1ccccc1OCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182444265 495565797 /nfs/dbraw/zinc/56/57/97/495565797.db2.gz BCTGQMOHOMJLOY-CQSZACIVSA-N 0 3 358.394 3.419 20 5 FGBDHN CCN(CCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158679140 495566099 /nfs/dbraw/zinc/56/60/99/495566099.db2.gz HEGPBQYGCDXYNL-UHFFFAOYSA-N 0 3 366.421 3.262 20 5 FGBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000179405110 495578937 /nfs/dbraw/zinc/57/89/37/495578937.db2.gz XJLHUQZSNZJKLV-HNNXBMFYSA-N 0 3 371.437 3.383 20 5 FGBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574532182 505795055 /nfs/dbraw/zinc/79/50/55/505795055.db2.gz VLYSHWMEXRGMLR-OAHLLOKOSA-N 0 3 354.410 3.097 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000176539899 495689648 /nfs/dbraw/zinc/68/96/48/495689648.db2.gz JPWDAWZNMUQSHK-MJGOQNOKSA-N 0 3 374.485 3.186 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000182843368 495724377 /nfs/dbraw/zinc/72/43/77/495724377.db2.gz BUYNFCVLBOWCGA-AAEUAGOBSA-N 0 3 371.890 3.281 20 5 FGBDHN Cc1c(NC(=O)CCN(C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000159820959 495816726 /nfs/dbraw/zinc/81/67/26/495816726.db2.gz UBKLSQQUUACUFV-UHFFFAOYSA-N 0 3 370.453 3.430 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C[C@H]4CCOC4)CC3)o2)cc1 ZINC000180094180 495856056 /nfs/dbraw/zinc/85/60/56/495856056.db2.gz HSWJMJDBSUFDQV-MRXNPFEDSA-N 0 3 371.437 3.009 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000183348779 495941999 /nfs/dbraw/zinc/94/19/99/495941999.db2.gz MUEUDSPPHIVPCR-UONOGXRCSA-N 0 3 357.410 3.324 20 5 FGBDHN C[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180443826 495998612 /nfs/dbraw/zinc/99/86/12/495998612.db2.gz VRQHAWSDYOAKKN-SUMWQHHRSA-N 0 3 364.829 3.477 20 5 FGBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183575967 496036268 /nfs/dbraw/zinc/03/62/68/496036268.db2.gz GRRFYOPLLIRLDC-AWEZNQCLSA-N 0 3 361.427 3.010 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000177482584 496079884 /nfs/dbraw/zinc/07/98/84/496079884.db2.gz JYHVONDWYXSJHV-IAGOWNOFSA-N 0 3 361.486 3.306 20 5 FGBDHN CC[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180639485 496081492 /nfs/dbraw/zinc/08/14/92/496081492.db2.gz MHQPNVDCPKTHRE-HNNXBMFYSA-N 0 3 358.394 3.486 20 5 FGBDHN O=C(CN[C@H](CCO)C1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183702143 496087140 /nfs/dbraw/zinc/08/71/40/496087140.db2.gz OVKVWBZTOLMEFH-CQSZACIVSA-N 0 3 369.849 3.108 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000183778641 496113802 /nfs/dbraw/zinc/11/38/02/496113802.db2.gz CTPKHURDCPASHY-CQSZACIVSA-N 0 3 359.813 3.423 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](Cn4ccnn4)C3)o2)cc1 ZINC000180799362 496151439 /nfs/dbraw/zinc/15/14/39/496151439.db2.gz DYZBTJAOFITNHQ-OAHLLOKOSA-N 0 3 367.409 3.359 20 5 FGBDHN CCOC(=O)CC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000162216836 496316287 /nfs/dbraw/zinc/31/62/87/496316287.db2.gz RLYZDMZNNCELBU-HNNXBMFYSA-N 0 3 350.415 3.029 20 5 FGBDHN Cc1c(CN(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000580813674 505844163 /nfs/dbraw/zinc/84/41/63/505844163.db2.gz KEXQOCMJNXOPPI-UWJYYQICSA-N 0 3 370.449 3.445 20 5 FGBDHN Cn1cc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000184598018 496458694 /nfs/dbraw/zinc/45/86/94/496458694.db2.gz AWXBCAZJFFOECT-IBGZPJMESA-N 0 3 354.385 3.389 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3nccn3CC(F)(F)F)c2c1 ZINC000571919068 505845871 /nfs/dbraw/zinc/84/58/71/505845871.db2.gz ZLLJBZYILLUPFG-UHFFFAOYSA-N 0 3 367.331 3.167 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1 ZINC000173028500 496524972 /nfs/dbraw/zinc/52/49/72/496524972.db2.gz SXWULKCSVWIEII-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CCOc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181825907 496561291 /nfs/dbraw/zinc/56/12/91/496561291.db2.gz WVWJCYSRPKNIDG-NVXWUHKLSA-N 0 3 374.437 3.392 20 5 FGBDHN COC[C@](C)(CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000175851799 496573669 /nfs/dbraw/zinc/57/36/69/496573669.db2.gz PRCMSTFPPJLXQM-KRWDZBQOSA-N 0 3 350.440 3.200 20 5 FGBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000181957968 496613260 /nfs/dbraw/zinc/61/32/60/496613260.db2.gz OMSHEUYYPYQNSC-WMLDXEAASA-N 0 3 360.410 3.123 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000182295856 496727300 /nfs/dbraw/zinc/72/73/00/496727300.db2.gz WSHLKTVXUJCFSG-ZDUSSCGKSA-N 0 3 371.393 3.311 20 5 FGBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000191363909 496738717 /nfs/dbraw/zinc/73/87/17/496738717.db2.gz BZIFRUAPYNQMBP-YJBOKZPZSA-N 0 3 353.422 3.195 20 5 FGBDHN COCC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000273321405 496774067 /nfs/dbraw/zinc/77/40/67/496774067.db2.gz WYTMKWJVCXCXSQ-OAHLLOKOSA-N 0 3 361.398 3.192 20 5 FGBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCCCC3)c2)n1 ZINC000191529099 496799243 /nfs/dbraw/zinc/79/92/43/496799243.db2.gz HDOOJCHNMDHLME-UHFFFAOYSA-N 0 3 357.414 3.049 20 5 FGBDHN CC[C@H](NCCN1CCc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000191624707 496837260 /nfs/dbraw/zinc/83/72/60/496837260.db2.gz OJSJHFOEKKVROV-IBGZPJMESA-N 0 3 353.422 3.334 20 5 FGBDHN CSc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195625260 496955595 /nfs/dbraw/zinc/95/55/95/496955595.db2.gz UQGMZFAASXJUOV-MGPQQGTHSA-N 0 3 365.499 3.413 20 5 FGBDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373139 496986300 /nfs/dbraw/zinc/98/63/00/496986300.db2.gz GQPKTKAEBVUXQP-GXTWGEPZSA-N 0 3 366.364 3.306 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000269924426 497026340 /nfs/dbraw/zinc/02/63/40/497026340.db2.gz BLCCOENYJSXEHD-LBTBCDHLSA-N 0 3 373.453 3.168 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000578205254 505886052 /nfs/dbraw/zinc/88/60/52/505886052.db2.gz KRXNBJSECLIOSZ-MLGOLLRUSA-N 0 3 358.829 3.499 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000249121167 497171166 /nfs/dbraw/zinc/17/11/66/497171166.db2.gz HCTBZGSMDHHKGK-QWHCGFSZSA-N 0 3 351.472 3.167 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(Cn3cncn3)cc1)CCC2 ZINC000192639569 497172311 /nfs/dbraw/zinc/17/23/11/497172311.db2.gz JLJACYBSBVWMQN-FQEVSTJZSA-N 0 3 363.421 3.402 20 5 FGBDHN CN(CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000189637582 497190901 /nfs/dbraw/zinc/19/09/01/497190901.db2.gz ZPWXZPOSSOETQG-UHFFFAOYSA-N 0 3 369.487 3.065 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccc(F)cc1)CCC2 ZINC000192728763 497198531 /nfs/dbraw/zinc/19/85/31/497198531.db2.gz GEFIWGGMQJHNRE-VQIMIIECSA-N 0 3 360.385 3.141 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278749462 497208077 /nfs/dbraw/zinc/20/80/77/497208077.db2.gz ATKUETZIOVYYQM-LJQANCHMSA-N 0 3 370.453 3.041 20 5 FGBDHN C[C@H]1CCCCN1CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189681306 497209456 /nfs/dbraw/zinc/20/94/56/497209456.db2.gz OVMIAROXMIQEQW-AWEZNQCLSA-N 0 3 369.487 3.065 20 5 FGBDHN COCc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237256158 497210803 /nfs/dbraw/zinc/21/08/03/497210803.db2.gz MYUJSHHCVSRKDL-UHFFFAOYSA-N 0 3 366.421 3.432 20 5 FGBDHN COc1cc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000237262310 497212631 /nfs/dbraw/zinc/21/26/31/497212631.db2.gz FERPLKVOGXJSLZ-INIZCTEOSA-N 0 3 357.410 3.157 20 5 FGBDHN COc1ccc(-c2ccc(CNCCCc3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000237426559 497235677 /nfs/dbraw/zinc/23/56/77/497235677.db2.gz RXINKWHQRRDNFB-UHFFFAOYSA-N 0 3 370.409 3.319 20 5 FGBDHN Cn1cc(CN2CCC(c3ncc[nH]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271134449 497270651 /nfs/dbraw/zinc/27/06/51/497270651.db2.gz BOVNVSDARPTLDQ-UHFFFAOYSA-N 0 3 366.425 3.098 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190024910 497328902 /nfs/dbraw/zinc/32/89/02/497328902.db2.gz DLEQQBCOYVFKDT-GDBMZVCRSA-N 0 3 351.472 3.496 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000190032615 497332010 /nfs/dbraw/zinc/33/20/10/497332010.db2.gz GMTBYCFJYQPHTG-GDBMZVCRSA-N 0 3 367.471 3.196 20 5 FGBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000190053518 497339902 /nfs/dbraw/zinc/33/99/02/497339902.db2.gz YWXOEMSSTLYZHZ-WBVHZDCISA-N 0 3 363.483 3.138 20 5 FGBDHN O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275687582 497403602 /nfs/dbraw/zinc/40/36/02/497403602.db2.gz PFZYNWJTPBYWLP-WOJBJXKFSA-N 0 3 361.445 3.450 20 5 FGBDHN COc1cccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000271704218 497423588 /nfs/dbraw/zinc/42/35/88/497423588.db2.gz TYLITHBLGIGUBL-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN COc1cc(CNCCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000190294052 497426919 /nfs/dbraw/zinc/42/69/19/497426919.db2.gz LVWCJPLVMMSSNA-UHFFFAOYSA-N 0 3 352.337 3.223 20 5 FGBDHN COc1ccc(CN2CCNC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261695856 497434577 /nfs/dbraw/zinc/43/45/77/497434577.db2.gz LBNVXYYODJZEHW-QGZVFWFLSA-N 0 3 361.829 3.403 20 5 FGBDHN COc1cc(CN[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000271980269 497502820 /nfs/dbraw/zinc/50/28/20/497502820.db2.gz YXIREIYOPGNUHI-SNVBAGLBSA-N 0 3 366.361 3.140 20 5 FGBDHN CC[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000267285811 497517145 /nfs/dbraw/zinc/51/71/45/497517145.db2.gz PYRDQNRBVAENDL-QGZVFWFLSA-N 0 3 363.439 3.207 20 5 FGBDHN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245753912 497529557 /nfs/dbraw/zinc/52/95/57/497529557.db2.gz CSMGHHCTTXDHOJ-JPYFCXBMSA-N 0 3 367.833 3.122 20 5 FGBDHN COCCCCCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272425829 497625870 /nfs/dbraw/zinc/62/58/70/497625870.db2.gz MQQGVZWRNGXHJX-UHFFFAOYSA-N 0 3 362.373 3.154 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N(CCN1CCCCCC1)C1CCC1 ZINC000578355173 505921639 /nfs/dbraw/zinc/92/16/39/505921639.db2.gz ANZGEGKNXAAONW-UHFFFAOYSA-N 0 3 359.470 3.394 20 5 FGBDHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000288742106 497886001 /nfs/dbraw/zinc/88/60/01/497886001.db2.gz HLXHSRQSIPEEKE-UHFFFAOYSA-N 0 3 354.410 3.252 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000581329706 505962369 /nfs/dbraw/zinc/96/23/69/505962369.db2.gz BSUOQEMMOFFIFY-IUODEOHRSA-N 0 3 361.398 3.056 20 5 FGBDHN C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301267573 498030103 /nfs/dbraw/zinc/03/01/03/498030103.db2.gz PXWDJDYPISFZML-CYBMUJFWSA-N 0 3 367.409 3.176 20 5 FGBDHN COc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301386514 498086456 /nfs/dbraw/zinc/08/64/56/498086456.db2.gz CRYBMVXYWGTIJY-RHSMWYFYSA-N 0 3 356.426 3.321 20 5 FGBDHN COc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301386515 498087377 /nfs/dbraw/zinc/08/73/77/498087377.db2.gz CRYBMVXYWGTIJY-WMLDXEAASA-N 0 3 356.426 3.321 20 5 FGBDHN O=C1CC[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CCC2)N1 ZINC000289399415 498132225 /nfs/dbraw/zinc/13/22/25/498132225.db2.gz NRXILCJYELUEJF-LBPRGKRZSA-N 0 3 358.225 3.193 20 5 FGBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000301542628 498155482 /nfs/dbraw/zinc/15/54/82/498155482.db2.gz OLPSEHONOXJDEP-CQSZACIVSA-N 0 3 365.231 3.467 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)cc1C(F)(F)F ZINC000301548216 498158039 /nfs/dbraw/zinc/15/80/39/498158039.db2.gz UOFVGMYQVRSHAN-UHFFFAOYSA-N 0 3 373.375 3.162 20 5 FGBDHN C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000289488362 498165592 /nfs/dbraw/zinc/16/55/92/498165592.db2.gz RHHOSSGDXDSJSF-MJEQTWJJSA-N 0 3 354.362 3.076 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289521925 498177783 /nfs/dbraw/zinc/17/77/83/498177783.db2.gz CHVKCOYTZJFOAC-RYUDHWBXSA-N 0 3 352.822 3.339 20 5 FGBDHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000301620227 498191749 /nfs/dbraw/zinc/19/17/49/498191749.db2.gz DUWHSDLALSNGBW-UHFFFAOYSA-N 0 3 356.426 3.019 20 5 FGBDHN COc1ccc(CNCCc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000292916377 498195455 /nfs/dbraw/zinc/19/54/55/498195455.db2.gz HVBIPJJPGSMMNQ-UHFFFAOYSA-N 0 3 355.316 3.350 20 5 FGBDHN Cc1nc(NCCCN2CCN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630555 498197023 /nfs/dbraw/zinc/19/70/23/498197023.db2.gz IVDIFMRNXQHQSS-IBGZPJMESA-N 0 3 369.469 3.089 20 5 FGBDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285791312 498201186 /nfs/dbraw/zinc/20/11/86/498201186.db2.gz URUCUWSSIXMCMZ-UHFFFAOYSA-N 0 3 360.414 3.362 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848136 498292341 /nfs/dbraw/zinc/29/23/41/498292341.db2.gz VGYDDJFJNSSDLE-JKSUJKDBSA-N 0 3 370.409 3.024 20 5 FGBDHN O=C(CN[C@H]1CCCC12CCOCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281954666 498331818 /nfs/dbraw/zinc/33/18/18/498331818.db2.gz FSOGWGLLZRHGOL-HNNXBMFYSA-N 0 3 367.833 3.126 20 5 FGBDHN C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293563366 498412471 /nfs/dbraw/zinc/41/24/71/498412471.db2.gz CYLBHQQCKMSPGL-AWEZNQCLSA-N 0 3 368.437 3.150 20 5 FGBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302177880 498430533 /nfs/dbraw/zinc/43/05/33/498430533.db2.gz XVFISSPQGQCDJP-KRWDZBQOSA-N 0 3 355.442 3.270 20 5 FGBDHN Cc1nc(Nc2cccc3c2CCN(CC(C)(C)O)C3)ccc1[N+](=O)[O-] ZINC000302190033 498435166 /nfs/dbraw/zinc/43/51/66/498435166.db2.gz VHNHJXIIXVQTKC-UHFFFAOYSA-N 0 3 356.426 3.171 20 5 FGBDHN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)CN(C)C ZINC000293646289 498440829 /nfs/dbraw/zinc/44/08/29/498440829.db2.gz DTMJKEGBNVMYMT-NSHDSACASA-N 0 3 373.403 3.299 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000365495802 498496733 /nfs/dbraw/zinc/49/67/33/498496733.db2.gz SWBUMZVSBZVTRT-HNNXBMFYSA-N 0 3 361.785 3.307 20 5 FGBDHN CC(C)c1nccn1[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781607 498552286 /nfs/dbraw/zinc/55/22/86/498552286.db2.gz OEUIBQYGZXYKLJ-MSOLQXFVSA-N 0 3 358.442 3.285 20 5 FGBDHN CC(C)[C@@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000293987561 498554841 /nfs/dbraw/zinc/55/48/41/498554841.db2.gz LKBURDAXFLYRCY-FQEVSTJZSA-N 0 3 372.469 3.226 20 5 FGBDHN Cc1ccnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302794212 498576774 /nfs/dbraw/zinc/57/67/74/498576774.db2.gz NTDBJTNAALPSFH-KRWDZBQOSA-N 0 3 356.426 3.001 20 5 FGBDHN COc1ccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000287064722 498613330 /nfs/dbraw/zinc/61/33/30/498613330.db2.gz VFIQGQDPVJAPEW-GUYCJALGSA-N 0 3 360.410 3.305 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000287325271 498717082 /nfs/dbraw/zinc/71/70/82/498717082.db2.gz WQRNJDNTTULLKF-HIFRSBDPSA-N 0 3 362.430 3.084 20 5 FGBDHN O=C(NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCC1 ZINC000290979012 498744074 /nfs/dbraw/zinc/74/40/74/498744074.db2.gz YHUGEINRJQXWEX-UHFFFAOYSA-N 0 3 360.241 3.298 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000366142755 498794708 /nfs/dbraw/zinc/79/47/08/498794708.db2.gz HEJXOPDFMSQFLH-YJBOKZPZSA-N 0 3 368.437 3.287 20 5 FGBDHN CC(C)CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291375775 498916365 /nfs/dbraw/zinc/91/63/65/498916365.db2.gz BXOMUXGDFJBBFD-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291510589 498970895 /nfs/dbraw/zinc/97/08/95/498970895.db2.gz XEDLORMDXYKBTF-PBHICJAKSA-N 0 3 354.362 3.455 20 5 FGBDHN COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070239 499042872 /nfs/dbraw/zinc/04/28/72/499042872.db2.gz NBDXWGOXTLDQBX-ACJLOTCBSA-N 0 3 358.442 3.139 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(Cc2ccncc2)CC1 ZINC000370287563 499205949 /nfs/dbraw/zinc/20/59/49/499205949.db2.gz HRBAOTKINJVSHA-UHFFFAOYSA-N 0 3 358.417 3.225 20 5 FGBDHN CN1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370327963 499209992 /nfs/dbraw/zinc/20/99/92/499209992.db2.gz XPPVSQIWYFSSSB-HNAYVOBHSA-N 0 3 373.478 3.398 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCc4nc[nH]c4C3)cs2)c1 ZINC000368087662 499262837 /nfs/dbraw/zinc/26/28/37/499262837.db2.gz BVPIRFWPOPEVFL-LBPRGKRZSA-N 0 3 355.423 3.089 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCc4[nH]cnc4C3)cs2)c1 ZINC000368087662 499262839 /nfs/dbraw/zinc/26/28/39/499262839.db2.gz BVPIRFWPOPEVFL-LBPRGKRZSA-N 0 3 355.423 3.089 20 5 FGBDHN CN1CCC2(CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368579117 499309767 /nfs/dbraw/zinc/30/97/67/499309767.db2.gz ATDFNMURHRIZEW-UHFFFAOYSA-N 0 3 374.485 3.187 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000369659037 499432830 /nfs/dbraw/zinc/43/28/30/499432830.db2.gz ZAXIZFUDXIRABR-GUYCJALGSA-N 0 3 374.828 3.066 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000372451723 499436685 /nfs/dbraw/zinc/43/66/85/499436685.db2.gz PQLDISOCWJLJDB-UHFFFAOYSA-N 0 3 360.439 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JDNKXGCMZDAZFR-BBRMVZONSA-N 0 3 362.451 3.407 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(CC2CCC2)CC1 ZINC000576446232 506160356 /nfs/dbraw/zinc/16/03/56/506160356.db2.gz WEHHOKUDMCHUHJ-UHFFFAOYSA-N 0 3 363.483 3.021 20 5 FGBDHN CNC(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414548735 499806882 /nfs/dbraw/zinc/80/68/82/499806882.db2.gz YOFCPWRGEOITSQ-UHFFFAOYSA-N 0 3 374.466 3.217 20 5 FGBDHN COc1cc(CNC2(CO)C3CC4CC(C3)CC2C4)c([N+](=O)[O-])cc1F ZINC000412003549 499811953 /nfs/dbraw/zinc/81/19/53/499811953.db2.gz QCMKATLOCJLASN-UHFFFAOYSA-N 0 3 364.417 3.019 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000412005366 499812129 /nfs/dbraw/zinc/81/21/29/499812129.db2.gz GBSALCSTOUYLLZ-SFHVURJKSA-N 0 3 358.442 3.065 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412307834 499843475 /nfs/dbraw/zinc/84/34/75/499843475.db2.gz IFYKJKYCDNVWTN-LJQANCHMSA-N 0 3 373.497 3.498 20 5 FGBDHN 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368.437 3.029 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000439876493 500949118 /nfs/dbraw/zinc/94/91/18/500949118.db2.gz GFOHJGWKBSPIFT-CQSZACIVSA-N 0 3 364.446 3.235 20 5 FGBDHN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000449294635 500969216 /nfs/dbraw/zinc/96/92/16/500969216.db2.gz ZZJVVIMQWGLJML-KGLIPLIRSA-N 0 3 366.425 3.365 20 5 FGBDHN COc1cc(OC)c(C[C@H](C)NCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000449470374 501010626 /nfs/dbraw/zinc/01/06/26/501010626.db2.gz XGKUUKNFOVPPGL-ZDUSSCGKSA-N 0 3 360.410 3.341 20 5 FGBDHN COc1cc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000435744589 501021541 /nfs/dbraw/zinc/02/15/41/501021541.db2.gz XSHFXIPJOBMICX-MRXNPFEDSA-N 0 3 363.458 3.196 20 5 FGBDHN COc1cc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000435744589 501021544 /nfs/dbraw/zinc/02/15/44/501021544.db2.gz XSHFXIPJOBMICX-MRXNPFEDSA-N 0 3 363.458 3.196 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000449775353 501083729 /nfs/dbraw/zinc/08/37/29/501083729.db2.gz MHCZTDBWCVHADN-CQSZACIVSA-N 0 3 358.394 3.306 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@@H](CCCO)C3)o2)c([N+](=O)[O-])c1 ZINC000449793226 501088676 /nfs/dbraw/zinc/08/86/76/501088676.db2.gz VWPRHSZASNHRJZ-CQSZACIVSA-N 0 3 360.410 3.458 20 5 FGBDHN C[C@@H]1CN(CCCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450378200 501105442 /nfs/dbraw/zinc/10/54/42/501105442.db2.gz MQQIOJALDLZXJH-GASCZTMLSA-N 0 3 358.442 3.444 20 5 FGBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H](OCCN2CCCCC2)C1 ZINC000450388593 501108705 /nfs/dbraw/zinc/10/87/05/501108705.db2.gz ISLAURRVPWUSQR-INIZCTEOSA-N 0 3 370.453 3.224 20 5 FGBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450024721 501157636 /nfs/dbraw/zinc/15/76/36/501157636.db2.gz QOUCXQSPFIUOKB-LBPRGKRZSA-N 0 3 359.348 3.170 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849079 501173071 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ZINC000594511090 507163574 /nfs/dbraw/zinc/16/35/74/507163574.db2.gz QXGVMYZWWOOVSV-WCVJEAGWSA-N 0 3 365.474 3.142 20 5 FGBDHN CN1CCN(c2cccc(Cl)c2CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610272744 507169785 /nfs/dbraw/zinc/16/97/85/507169785.db2.gz IXDOQXQOESPJHZ-UHFFFAOYSA-N 0 3 374.872 3.290 20 5 FGBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610446053 507243181 /nfs/dbraw/zinc/24/31/81/507243181.db2.gz ONHZATFJMWMQTL-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN COc1ccc(CNCC2(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610468055 507251143 /nfs/dbraw/zinc/25/11/43/507251143.db2.gz TZPSSZIXCJPZMN-UHFFFAOYSA-N 0 3 372.421 3.045 20 5 FGBDHN Cc1sc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598195453 507307158 /nfs/dbraw/zinc/30/71/58/507307158.db2.gz NUARQGVHWZBQCM-INIZCTEOSA-N 0 3 373.478 3.354 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CCCCC2)C1 ZINC000598221460 507324555 /nfs/dbraw/zinc/32/45/55/507324555.db2.gz VPGJYHXCMKLHSP-AWEZNQCLSA-N 0 3 363.483 3.210 20 5 FGBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598221905 507324810 /nfs/dbraw/zinc/32/48/10/507324810.db2.gz YHUDSGINSZYFNZ-ZDUSSCGKSA-N 0 3 351.834 3.385 20 5 FGBDHN CCC(O)(CC)C(C)(C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594964712 507335376 /nfs/dbraw/zinc/33/53/76/507335376.db2.gz MMHCFLRHLDNFDZ-UHFFFAOYSA-N 0 3 354.447 3.279 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(S(C)(=O)=O)CCCCC1 ZINC000594975157 507338207 /nfs/dbraw/zinc/33/82/07/507338207.db2.gz ROQWVPPGQJMZKP-PTNGSMBKSA-N 0 3 366.483 3.335 20 5 FGBDHN COc1cc(CNCCc2cn(C)c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000594986044 507343452 /nfs/dbraw/zinc/34/34/52/507343452.db2.gz RWLMTCUGNBHLGN-UHFFFAOYSA-N 0 3 369.421 3.436 20 5 FGBDHN COc1cc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000594996571 507347014 /nfs/dbraw/zinc/34/70/14/507347014.db2.gz RXFANOKCPIGOGD-MDASCCDHSA-N 0 3 358.369 3.179 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000595052225 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MVRUXJKCNGLBOJ-KBVBSXBZSA-N 0 3 361.261 3.466 20 5 FGBDHN COc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])N(C)C)cc1OC ZINC000615487964 714531166 /nfs/dbraw/zinc/53/11/66/714531166.db2.gz PNZFUQCPBYUNBX-CYBMUJFWSA-N 0 3 351.428 3.388 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(F)c1 ZINC001164623693 719071903 /nfs/dbraw/zinc/07/19/03/719071903.db2.gz KONKKXIRIZYBTG-MAUKXSAKSA-N 0 3 356.401 3.230 20 5 FGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809215836 725234721 /nfs/dbraw/zinc/23/47/21/725234721.db2.gz XCDLHPZSEDIXHG-CQSZACIVSA-N 0 3 350.802 3.120 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000809333888 725238792 /nfs/dbraw/zinc/23/87/92/725238792.db2.gz MVLDGGQCXHFNEM-UHFFFAOYSA-N 0 3 351.422 3.462 20 5 FGBDHN CC(COC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[N+](=O)[O-] ZINC000813101543 726839046 /nfs/dbraw/zinc/83/90/46/726839046.db2.gz DAEZCEATEVLRTD-SFYZADRCSA-N 0 3 366.595 3.078 20 5 FGBDHN COc1ccc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c2)c(F)c1 ZINC000813103298 726839420 /nfs/dbraw/zinc/83/94/20/726839420.db2.gz ZUTHTEQYBWJFAD-SNVBAGLBSA-N 0 3 351.305 3.462 20 5 FGBDHN CC(COC(=O)c1coc(-c2ccc(Br)cc2F)n1)[N+](=O)[O-] ZINC000813108193 726839976 /nfs/dbraw/zinc/83/99/76/726839976.db2.gz CGLNUANEOOHDCQ-SSDOTTSWSA-N 0 3 373.134 3.065 20 5 FGBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000845731066 730888873 /nfs/dbraw/zinc/88/88/73/730888873.db2.gz LRWUOSKLWJJYFK-NSHDSACASA-N 0 3 358.341 3.226 20 5 FGBDHN CC([C@@H](OC(=O)CSCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845873981 730904938 /nfs/dbraw/zinc/90/49/38/730904938.db2.gz FSFJMMULRIOPRQ-QPUJVOFHSA-N 0 3 355.309 3.371 20 5 FGBDHN CC([C@@H](OC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875880 730905206 /nfs/dbraw/zinc/90/52/06/730905206.db2.gz DVKQCQHZAGAEBO-UHIISALHSA-N 0 3 355.362 3.053 20 5 FGBDHN CN(CCN1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000846613555 730968144 /nfs/dbraw/zinc/96/81/44/730968144.db2.gz HQGICQFURYMOMT-UHFFFAOYSA-N 0 3 360.241 3.460 20 5 FGBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000872249234 735608799 /nfs/dbraw/zinc/60/87/99/735608799.db2.gz GDAPCXCEHUBXAR-IINYFYTJSA-N 0 3 355.316 3.393 20 5 FGBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000886916551 739315312 /nfs/dbraw/zinc/31/53/12/739315312.db2.gz WSRPGXUIDYNGGG-NHYWBVRUSA-N 0 3 362.348 3.145 20 5 FGBDHN CN(CCC(F)(F)F)[C@@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905252455 744007150 /nfs/dbraw/zinc/00/71/50/744007150.db2.gz CHJILRXYRZFQGP-ZDUSSCGKSA-N 0 3 353.772 3.132 20 5 FGBDHN C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000908358052 744281835 /nfs/dbraw/zinc/28/18/35/744281835.db2.gz KLNXAGVKWXYSKV-LLVKDONJSA-N 0 3 369.824 3.334 20 5 FGBDHN CCOC(=O)C1([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000933879714 761488417 /nfs/dbraw/zinc/48/84/17/761488417.db2.gz QFJHZWQFMRJOBT-GFCCVEGCSA-N 0 3 370.833 3.086 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H](N2CCCCC2)C1 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/nfs/dbraw/zinc/27/15/83/494271583.db2.gz PEQZRMIMTIHVEJ-INIZCTEOSA-N 0 3 354.410 3.299 20 5 FGBDHN Cc1c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000043347968 494289934 /nfs/dbraw/zinc/28/99/34/494289934.db2.gz AAJNSQYDTMBYDB-MRXNPFEDSA-N 0 3 354.410 3.299 20 5 FGBDHN COCCc1nc(C)c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000089581067 494325989 /nfs/dbraw/zinc/32/59/89/494325989.db2.gz OZDJXBMRQNCFDB-GFCCVEGCSA-N 0 3 365.455 3.278 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2=O)c1 ZINC000089580824 494326066 /nfs/dbraw/zinc/32/60/66/494326066.db2.gz QAHKKWAHELOOMQ-OAHLLOKOSA-N 0 3 369.421 3.451 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000089580918 494326098 /nfs/dbraw/zinc/32/60/98/494326098.db2.gz HOFATKXASGRNJI-CYBMUJFWSA-N 0 3 355.394 3.209 20 5 FGBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000073889903 494443219 /nfs/dbraw/zinc/44/32/19/494443219.db2.gz XOOLOELHMDDTJK-UHFFFAOYSA-N 0 3 354.410 3.165 20 5 FGBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090939006 494505610 /nfs/dbraw/zinc/50/56/10/494505610.db2.gz XRBJNGSKVIMPGT-ZIAGYGMSSA-N 0 3 352.394 3.044 20 5 FGBDHN CCN1CCC(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000024030433 494597550 /nfs/dbraw/zinc/59/75/50/494597550.db2.gz GBHUKERUPKUZFK-OAHLLOKOSA-N 0 3 374.485 3.045 20 5 FGBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3)C2)cc1Cl ZINC000091453403 494600822 /nfs/dbraw/zinc/60/08/22/494600822.db2.gz IWEBBPQVKQBFBR-LBPRGKRZSA-N 0 3 367.833 3.099 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000067705109 494617702 /nfs/dbraw/zinc/61/77/02/494617702.db2.gz XKIILGVRBQFLSM-GOSISDBHSA-N 0 3 356.426 3.005 20 5 FGBDHN C[C@@H]1CN(C[C@@H]2CCCN2C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000092506522 494649824 /nfs/dbraw/zinc/64/98/24/494649824.db2.gz PQBHJADKORTCQH-RXGJYJJYSA-N 0 3 359.470 3.182 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116067489 494692493 /nfs/dbraw/zinc/69/24/93/494692493.db2.gz MZDBFTCCZNMIMY-MRXNPFEDSA-N 0 3 367.449 3.479 20 5 FGBDHN COc1cc(CNC(C)(C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000116341068 494764015 /nfs/dbraw/zinc/76/40/15/494764015.db2.gz QLWMDLAWVDBLCQ-UHFFFAOYSA-N 0 3 360.410 3.043 20 5 FGBDHN CN1CCN(CCCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121456981 494764828 /nfs/dbraw/zinc/76/48/28/494764828.db2.gz MGJZHHLQFZMYBV-UHFFFAOYSA-N 0 3 361.273 3.341 20 5 FGBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068132687 494771930 /nfs/dbraw/zinc/77/19/30/494771930.db2.gz XJMJUIZVVMVDIO-OAHLLOKOSA-N 0 3 356.426 3.167 20 5 FGBDHN CN1CCN(CCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000075669929 494812298 /nfs/dbraw/zinc/81/22/98/494812298.db2.gz WSAORSJJPJNMIN-UHFFFAOYSA-N 0 3 360.380 3.053 20 5 FGBDHN CCc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000093064843 494820911 /nfs/dbraw/zinc/82/09/11/494820911.db2.gz KMXJXLONJSHRJX-UHFFFAOYSA-N 0 3 368.437 3.199 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000026712994 494834394 /nfs/dbraw/zinc/83/43/94/494834394.db2.gz PXVCSVPMXZEDPV-MLGOLLRUSA-N 0 3 350.802 3.339 20 5 FGBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000127050470 494886249 /nfs/dbraw/zinc/88/62/49/494886249.db2.gz IWMWNJSGJWRXNY-UHFFFAOYSA-N 0 3 369.421 3.051 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)nc1 ZINC000093534333 494898530 /nfs/dbraw/zinc/89/85/30/494898530.db2.gz AJPYOGZTMPSEAA-INIZCTEOSA-N 0 3 364.409 3.066 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000127323481 494928228 /nfs/dbraw/zinc/92/82/28/494928228.db2.gz FZWATVZIXJDFGY-YJBOKZPZSA-N 0 3 368.437 3.057 20 5 FGBDHN CCc1nn(C)c(NC2CCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000094138287 494953781 /nfs/dbraw/zinc/95/37/81/494953781.db2.gz MHXDCNDLWSSSCY-UHFFFAOYSA-N 0 3 357.458 3.276 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000122836233 495038515 /nfs/dbraw/zinc/03/85/15/495038515.db2.gz ISCUVVIPXUHSIJ-GZBFAFLISA-N 0 3 351.472 3.017 20 5 FGBDHN Cc1ccc([C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)o1 ZINC000118983148 495064001 /nfs/dbraw/zinc/06/40/01/495064001.db2.gz QWJFWKIQCQDBRK-QAPCUYQASA-N 0 3 359.426 3.220 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000128937502 495172020 /nfs/dbraw/zinc/17/20/20/495172020.db2.gz LSAKRYZPNMOEGF-HZPDHXFCSA-N 0 3 362.474 3.014 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134880565 495214436 /nfs/dbraw/zinc/21/44/36/495214436.db2.gz PWFYVVNXCWTZJI-WBVHZDCISA-N 0 3 353.422 3.296 20 5 FGBDHN CC(=O)N(C)C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000119887868 495262765 /nfs/dbraw/zinc/26/27/65/495262765.db2.gz RVBATFJEOXSSBJ-UHFFFAOYSA-N 0 3 364.445 3.389 20 5 FGBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104314799 495277415 /nfs/dbraw/zinc/27/74/15/495277415.db2.gz BFDYAGNCDZYILK-UHFFFAOYSA-N 0 3 373.457 3.055 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000136030603 495351547 /nfs/dbraw/zinc/35/15/47/495351547.db2.gz XUDFXPIRGJHIST-CYBMUJFWSA-N 0 3 351.472 3.169 20 5 FGBDHN C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136631288 495390922 /nfs/dbraw/zinc/39/09/22/495390922.db2.gz DAIVTKUZLAYOMA-RWMBFGLXSA-N 0 3 353.850 3.344 20 5 FGBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000141778351 495510816 /nfs/dbraw/zinc/51/08/16/495510816.db2.gz GDHVJWGNFZYUJN-MRXNPFEDSA-N 0 3 374.485 3.181 20 5 FGBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115565961 495518636 /nfs/dbraw/zinc/51/86/36/495518636.db2.gz WBIWJMHOTYTVOR-PQUAAJSLSA-N 0 3 374.485 3.118 20 5 FGBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000182382968 495541642 /nfs/dbraw/zinc/54/16/42/495541642.db2.gz GPHAIMCNIVXTFQ-VZJVUDMVSA-N 0 3 355.822 3.122 20 5 FGBDHN CCOc1cccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182405546 495551298 /nfs/dbraw/zinc/55/12/98/495551298.db2.gz XTASRUWPOHRTKS-HOCLYGCPSA-N 0 3 360.410 3.084 20 5 FGBDHN CN(CCCc1cc(-c2ccccc2)no1)CCn1ccc([N+](=O)[O-])n1 ZINC000176224784 495552981 /nfs/dbraw/zinc/55/29/81/495552981.db2.gz WTQUJUJLPIEUQP-UHFFFAOYSA-N 0 3 355.398 3.011 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000179422487 495585859 /nfs/dbraw/zinc/58/58/59/495585859.db2.gz RBPPRRFIYYGYAI-FZKQIMNGSA-N 0 3 360.410 3.386 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000185524128 495609610 /nfs/dbraw/zinc/60/96/10/495609610.db2.gz MDQNYVYDVRPTOR-AOIWGVFYSA-N 0 3 359.470 3.106 20 5 FGBDHN Cc1cc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000182766114 495695612 /nfs/dbraw/zinc/69/56/12/495695612.db2.gz UKHXXTDQGGGYLB-OCCSQVGLSA-N 0 3 350.440 3.364 20 5 FGBDHN Cc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1[N+](=O)[O-] ZINC000154923474 495773363 /nfs/dbraw/zinc/77/33/63/495773363.db2.gz IQFDONFKUHPDRJ-UHFFFAOYSA-N 0 3 370.409 3.024 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000159651999 495778824 /nfs/dbraw/zinc/77/88/24/495778824.db2.gz CECXKHJXKAYUKV-ZDUSSCGKSA-N 0 3 351.472 3.121 20 5 FGBDHN COc1cc(NCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000180043632 495835649 /nfs/dbraw/zinc/83/56/49/495835649.db2.gz HGKVKMWQZFLYAY-UHFFFAOYSA-N 0 3 360.389 3.466 20 5 FGBDHN CC(C)N(CCN(C)C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183181771 495869777 /nfs/dbraw/zinc/86/97/77/495869777.db2.gz XWFKZGHUTTVBKV-UHFFFAOYSA-N 0 3 359.879 3.139 20 5 FGBDHN COc1cc(CN2CC[C@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180199186 495902376 /nfs/dbraw/zinc/90/23/76/495902376.db2.gz DIPBXUVIORXBBL-FQEVSTJZSA-N 0 3 372.421 3.139 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177144738 495947462 /nfs/dbraw/zinc/94/74/62/495947462.db2.gz APCVTFPXYGKMOF-DGCLKSJQSA-N 0 3 372.450 3.073 20 5 FGBDHN COc1cc(F)c([C@H](C)NCCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000183460407 495994738 /nfs/dbraw/zinc/99/47/38/495994738.db2.gz IJENLTABGQYOAH-LBPRGKRZSA-N 0 3 364.373 3.481 20 5 FGBDHN CSc1cccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000186471898 496010686 /nfs/dbraw/zinc/01/06/86/496010686.db2.gz YULLGEJXTJYHKK-CQSZACIVSA-N 0 3 363.483 3.407 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000183647332 496061984 /nfs/dbraw/zinc/06/19/84/496061984.db2.gz LOZICFHWNFPNKG-GDBMZVCRSA-N 0 3 369.425 3.164 20 5 FGBDHN Cc1nccn1-c1ccc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183676145 496073921 /nfs/dbraw/zinc/07/39/21/496073921.db2.gz QAMMMBBRPWXAHO-VBKZILBWSA-N 0 3 366.421 3.473 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000174802393 496113123 /nfs/dbraw/zinc/11/31/23/496113123.db2.gz HHCRMFQOACGLQD-GOSISDBHSA-N 0 3 356.422 3.042 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000180723615 496119049 /nfs/dbraw/zinc/11/90/49/496119049.db2.gz LLLARSPTZMQVFK-GOSISDBHSA-N 0 3 368.437 3.052 20 5 FGBDHN COCC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000172069812 496150812 /nfs/dbraw/zinc/15/08/12/496150812.db2.gz HXSGJCGLSBAVOZ-KRWDZBQOSA-N 0 3 368.817 3.385 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](C(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152696551 496230038 /nfs/dbraw/zinc/23/00/38/496230038.db2.gz ODMSQXMGYCWPFE-QAPCUYQASA-N 0 3 365.474 3.001 20 5 FGBDHN CSc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172422342 496292110 /nfs/dbraw/zinc/29/21/10/496292110.db2.gz FKLIUWZGSXCHAJ-UHFFFAOYSA-N 0 3 363.483 3.407 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(OC)c1)N(C)C ZINC000156709188 496316242 /nfs/dbraw/zinc/31/62/42/496316242.db2.gz TWIBQZNPXFMCMW-LJQANCHMSA-N 0 3 359.426 3.465 20 5 FGBDHN Cc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000172501347 496318971 /nfs/dbraw/zinc/31/89/71/496318971.db2.gz AGEXQERUNMVBKL-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000162424633 496350901 /nfs/dbraw/zinc/35/09/01/496350901.db2.gz QKFVNWDSZZQALD-FQEVSTJZSA-N 0 3 368.437 3.083 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000153112210 496358084 /nfs/dbraw/zinc/35/80/84/496358084.db2.gz GWSSTALZUPQAIL-SUMWQHHRSA-N 0 3 360.410 3.386 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000157162334 496419199 /nfs/dbraw/zinc/41/91/99/496419199.db2.gz AFJVKPOGWDGVNL-ZQIUZPCESA-N 0 3 363.483 3.018 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000181545717 496439333 /nfs/dbraw/zinc/43/93/33/496439333.db2.gz PFDGWNLFJOJIFI-CHWSQXEVSA-N 0 3 363.483 3.450 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000163377022 496505979 /nfs/dbraw/zinc/50/59/79/496505979.db2.gz WFDXVANVMMLSQS-IBGZPJMESA-N 0 3 355.438 3.173 20 5 FGBDHN COc1ccccc1[C@@H](CC(C)C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000181699026 496507833 /nfs/dbraw/zinc/50/78/33/496507833.db2.gz JOIOQGPJZBXLRI-QGZVFWFLSA-N 0 3 359.426 3.142 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000181831137 496563692 /nfs/dbraw/zinc/56/36/92/496563692.db2.gz VLCFWOMFNFCLDC-ZFWWWQNUSA-N 0 3 350.440 3.193 20 5 FGBDHN CN(Cc1cc2ccccc2o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181939788 496606163 /nfs/dbraw/zinc/60/61/63/496606163.db2.gz FTHKHQIZLFGWNM-HNNXBMFYSA-N 0 3 356.378 3.213 20 5 FGBDHN CCc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000173320902 496642565 /nfs/dbraw/zinc/64/25/65/496642565.db2.gz XRUDFFAWTTYLOT-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN CCc1cc(N2CCC[C@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000246990341 496743931 /nfs/dbraw/zinc/74/39/31/496743931.db2.gz KDGGQVRMTSIMBX-PBHICJAKSA-N 0 3 355.442 3.267 20 5 FGBDHN CC[C@@H](NCc1ccccc1Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000268760892 496777474 /nfs/dbraw/zinc/77/74/74/496777474.db2.gz LOEUWPNKROLIJN-LJQANCHMSA-N 0 3 351.410 3.476 20 5 FGBDHN COc1ccc(CN[C@@H](C)c2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000268788709 496786354 /nfs/dbraw/zinc/78/63/54/496786354.db2.gz BBGOHXHJUFFTED-HNNXBMFYSA-N 0 3 373.453 3.395 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247300626 496829494 /nfs/dbraw/zinc/82/94/94/496829494.db2.gz GXDNFYAWJWHZII-KXBFYZLASA-N 0 3 373.478 3.398 20 5 FGBDHN CN1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247318346 496832863 /nfs/dbraw/zinc/83/28/63/496832863.db2.gz HWWXVSIMPCNHKK-BEFAXECRSA-N 0 3 373.478 3.398 20 5 FGBDHN Cc1ccc([C@H](C)NCCN2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000191617274 496834131 /nfs/dbraw/zinc/83/41/31/496834131.db2.gz HSCKOBDJMOORLE-HNNXBMFYSA-N 0 3 353.422 3.252 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000247341809 496840322 /nfs/dbraw/zinc/84/03/22/496840322.db2.gz SKEAIBULBUQXFB-HKUYNNGSSA-N 0 3 360.385 3.311 20 5 FGBDHN COc1ccc(CNC[C@](C)(Cc2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000191722041 496867348 /nfs/dbraw/zinc/86/73/48/496867348.db2.gz UGTQNWFSUXXFBW-QRWLVFNGSA-N 0 3 358.438 3.323 20 5 FGBDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373140 496985557 /nfs/dbraw/zinc/98/55/57/496985557.db2.gz GQPKTKAEBVUXQP-TZMCWYRMSA-N 0 3 366.364 3.306 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248563476 497040794 /nfs/dbraw/zinc/04/07/94/497040794.db2.gz KARWMLRYWOMBQD-KGLIPLIRSA-N 0 3 351.422 3.218 20 5 FGBDHN O=C(CCN[C@H]1CCCc2c(O)cccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000192354399 497084480 /nfs/dbraw/zinc/08/44/80/497084480.db2.gz KBHWJSCSKZITLY-KRWDZBQOSA-N 0 3 355.394 3.296 20 5 FGBDHN COc1cc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000192375478 497094443 /nfs/dbraw/zinc/09/44/43/497094443.db2.gz MWJSZUGSNPQCCD-YWZLYKJASA-N 0 3 372.421 3.479 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000578205255 505886197 /nfs/dbraw/zinc/88/61/97/505886197.db2.gz KRXNBJSECLIOSZ-WBMJQRKESA-N 0 3 358.829 3.499 20 5 FGBDHN COc1ccc(CNC[C@H](O)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237243447 497208726 /nfs/dbraw/zinc/20/87/26/497208726.db2.gz SCKLELYZZXSELW-SFHVURJKSA-N 0 3 374.437 3.289 20 5 FGBDHN Cc1c(CN2CCC(c3nnc4n3CCCC4)CC2)cccc1[N+](=O)[O-] ZINC000275014631 497218625 /nfs/dbraw/zinc/21/86/25/497218625.db2.gz RYDUCHYYCVFDOC-UHFFFAOYSA-N 0 3 355.442 3.211 20 5 FGBDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192848753 497229336 /nfs/dbraw/zinc/22/93/36/497229336.db2.gz NZNLARUGFDESCG-UXHICEINSA-N 0 3 367.449 3.261 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000192914147 497245183 /nfs/dbraw/zinc/24/51/83/497245183.db2.gz JOLXLJWOGUWRFN-SFHVURJKSA-N 0 3 353.422 3.470 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000237848335 497301529 /nfs/dbraw/zinc/30/15/29/497301529.db2.gz IAJYARZQPMXGQO-JTQLQIEISA-N 0 3 351.756 3.222 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000190017662 497326612 /nfs/dbraw/zinc/32/66/12/497326612.db2.gz UOQURCZFYCXCAI-NVXWUHKLSA-N 0 3 363.483 3.138 20 5 FGBDHN CN(C)CC(C)(C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275572839 497368210 /nfs/dbraw/zinc/36/82/10/497368210.db2.gz XRRTXXSKAOALPJ-UHFFFAOYSA-N 0 3 351.450 3.411 20 5 FGBDHN CN(C)C(=O)[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000578279511 505903606 /nfs/dbraw/zinc/90/36/06/505903606.db2.gz UYZGLGSKSXNMCG-LJQANCHMSA-N 0 3 366.421 3.038 20 5 FGBDHN Cc1cc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000271608382 497397367 /nfs/dbraw/zinc/39/73/67/497397367.db2.gz JRZJLLNSXOPUFK-UHFFFAOYSA-N 0 3 371.441 3.143 20 5 FGBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193880323 497509744 /nfs/dbraw/zinc/50/97/44/497509744.db2.gz JIRMNIDNALENKO-MRXNPFEDSA-N 0 3 354.410 3.238 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245904565 497565152 /nfs/dbraw/zinc/56/51/52/497565152.db2.gz SUIDXSJOLMITRE-HIFRSBDPSA-N 0 3 363.483 3.404 20 5 FGBDHN COc1cc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc([N+](=O)[O-])c1C ZINC000191143164 497722511 /nfs/dbraw/zinc/72/25/11/497722511.db2.gz JBNHPIFVZYTFOZ-INIZCTEOSA-N 0 3 361.442 3.002 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1cccs1 ZINC000246464750 497743811 /nfs/dbraw/zinc/74/38/11/497743811.db2.gz NMODPNHMKVWRST-PXAZEXFGSA-N 0 3 374.466 3.051 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000194834369 497785929 /nfs/dbraw/zinc/78/59/29/497785929.db2.gz QUAFFKJIOPDAOR-WBVHZDCISA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246675339 497798131 /nfs/dbraw/zinc/79/81/31/497798131.db2.gz ILXXQJXNPFMNRI-OLZOCXBDSA-N 0 3 353.850 3.027 20 5 FGBDHN C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301267574 498029846 /nfs/dbraw/zinc/02/98/46/498029846.db2.gz PXWDJDYPISFZML-ZDUSSCGKSA-N 0 3 367.409 3.176 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000364633157 498059917 /nfs/dbraw/zinc/05/99/17/498059917.db2.gz JQMDVEWUDOHFFT-IINYFYTJSA-N 0 3 351.453 3.141 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000364693808 498092719 /nfs/dbraw/zinc/09/27/19/498092719.db2.gz FBMNPRFMAWLLDT-LJQANCHMSA-N 0 3 367.449 3.166 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301497322 498136460 /nfs/dbraw/zinc/13/64/60/498136460.db2.gz BRRNGIHTBWBYDN-UHFFFAOYSA-N 0 3 372.444 3.484 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000296649777 498138415 /nfs/dbraw/zinc/13/84/15/498138415.db2.gz FFJFTTITRAZSBM-CYBMUJFWSA-N 0 3 350.394 3.134 20 5 FGBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301524419 498148486 /nfs/dbraw/zinc/14/84/86/498148486.db2.gz MNQNXLAMHIRKHL-LBPRGKRZSA-N 0 3 360.380 3.052 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(N2CCN(CC)CC2)c1 ZINC000572516757 505987886 /nfs/dbraw/zinc/98/78/86/505987886.db2.gz KKLZMXSFYJYYNQ-UHFFFAOYSA-N 0 3 358.446 3.005 20 5 FGBDHN COc1cccc(OC)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572520050 505988883 /nfs/dbraw/zinc/98/88/83/505988883.db2.gz ULOHTUKYFWSDPM-UHFFFAOYSA-N 0 3 355.394 3.426 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CC2)C[C@H](C)C1 ZINC000296743573 498178231 /nfs/dbraw/zinc/17/82/31/498178231.db2.gz PAKMVTIXKSBCSX-ZIAGYGMSSA-N 0 3 371.441 3.122 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848134 498292095 /nfs/dbraw/zinc/29/20/95/498292095.db2.gz VGYDDJFJNSSDLE-HOTGVXAUSA-N 0 3 370.409 3.024 20 5 FGBDHN CCc1nn(C)c(NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000301932848 498333583 /nfs/dbraw/zinc/33/35/83/498333583.db2.gz NBDBKSJWGTZJMV-QGZVFWFLSA-N 0 3 357.458 3.448 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286271510 498346366 /nfs/dbraw/zinc/34/63/66/498346366.db2.gz OKPWXTIDUDDKJB-LJQANCHMSA-N 0 3 371.462 3.395 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000361418824 498389300 /nfs/dbraw/zinc/38/93/00/498389300.db2.gz UOGMIAAWFPERJH-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672858 498417120 /nfs/dbraw/zinc/41/71/20/498417120.db2.gz YRNSUJDIXKOVQD-HKUYNNGSSA-N 0 3 366.421 3.055 20 5 FGBDHN Cc1ccc(NC(=O)N(C)C2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000365375758 498432610 /nfs/dbraw/zinc/43/26/10/498432610.db2.gz HCWRPRLPOGOLJR-UHFFFAOYSA-N 0 3 369.425 3.431 20 5 FGBDHN CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(C)CC1 ZINC000569859684 506033425 /nfs/dbraw/zinc/03/34/25/506033425.db2.gz HZANGTXTNQJURK-UHFFFAOYSA-N 0 3 372.878 3.197 20 5 FGBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293841310 498506807 /nfs/dbraw/zinc/50/68/07/498506807.db2.gz IZQWXVHLSSVXKY-OAHLLOKOSA-N 0 3 358.225 3.069 20 5 FGBDHN CC(C)(C)n1ncnc1CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282465758 498523215 /nfs/dbraw/zinc/52/32/15/498523215.db2.gz GDTJQIGDKWWWLG-GOEBONIOSA-N 0 3 357.458 3.442 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@@H]2c2nnc(C)o2)CC1 ZINC000362861938 498568204 /nfs/dbraw/zinc/56/82/04/498568204.db2.gz PTKALWDWNUCNAG-MRXNPFEDSA-N 0 3 372.425 3.455 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000365676437 498593765 /nfs/dbraw/zinc/59/37/65/498593765.db2.gz MWNJQOPFODPFRW-SUMWQHHRSA-N 0 3 359.451 3.388 20 5 FGBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365746983 498623183 /nfs/dbraw/zinc/62/31/83/498623183.db2.gz OVDLNLXAOKMIKJ-MOPGFXCFSA-N 0 3 365.433 3.189 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1NCC1CCN(c3ccncc3)CC1)CCN2 ZINC000302906197 498623844 /nfs/dbraw/zinc/62/38/44/498623844.db2.gz WOKHIIJHOAVIKT-UHFFFAOYSA-N 0 3 353.426 3.286 20 5 FGBDHN CC(=O)c1cc(NCc2ccccc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000290679604 498643551 /nfs/dbraw/zinc/64/35/51/498643551.db2.gz SEDCNDMXNQQEQV-UHFFFAOYSA-N 0 3 357.410 3.350 20 5 FGBDHN Cc1ccc([C@H](C)NCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000314073372 498773447 /nfs/dbraw/zinc/77/34/47/498773447.db2.gz VAMJYGMOQYKWPB-NSHDSACASA-N 0 3 353.220 3.213 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165254 506092000 /nfs/dbraw/zinc/09/20/00/506092000.db2.gz GPCDWHJOMGSZMA-GDIGMMSISA-N 0 3 353.422 3.260 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1CN1CCCC1 ZINC000299407289 499049737 /nfs/dbraw/zinc/04/97/37/499049737.db2.gz OLSQGUXLGLORIM-ZDUSSCGKSA-N 0 3 352.822 3.340 20 5 FGBDHN C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269719 506129526 /nfs/dbraw/zinc/12/95/26/506129526.db2.gz FAMADWPCFMVTET-JXFKEZNVSA-N 0 3 367.449 3.479 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295658048 499073740 /nfs/dbraw/zinc/07/37/40/499073740.db2.gz AEAAPXIPBIEUAO-UHFFFAOYSA-N 0 3 374.416 3.156 20 5 FGBDHN CC(=O)NCc1ccc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000364059674 499103267 /nfs/dbraw/zinc/10/32/67/499103267.db2.gz YITKXOLMMIPDOG-GOSISDBHSA-N 0 3 357.410 3.204 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000367471270 499203198 /nfs/dbraw/zinc/20/31/98/499203198.db2.gz OHJOCQLBAQRFGG-GGPKGHCWSA-N 0 3 362.470 3.470 20 5 FGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CNCC2 ZINC000367506968 499207280 /nfs/dbraw/zinc/20/72/80/499207280.db2.gz ICQDRJBQFNVAFR-UHFFFAOYSA-N 0 3 354.410 3.071 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000367767306 499231987 /nfs/dbraw/zinc/23/19/87/499231987.db2.gz KPVMNPIOWPIGFW-GDBMZVCRSA-N 0 3 371.441 3.103 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@]3(CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000373183692 499455963 /nfs/dbraw/zinc/45/59/63/499455963.db2.gz SKJKKQZEEIBIOC-LJQANCHMSA-N 0 3 361.442 3.267 20 5 FGBDHN C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1Cc1ccccc1 ZINC000379678045 499542508 /nfs/dbraw/zinc/54/25/08/499542508.db2.gz DYDWPIBCDNHOJM-GOEBONIOSA-N 0 3 365.437 3.358 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCCN(Cc3cccnc3)C1)CCN2 ZINC000376429901 499608109 /nfs/dbraw/zinc/60/81/09/499608109.db2.gz VWIMFTWMRUGSLU-MRXNPFEDSA-N 0 3 367.453 3.282 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCOC3(CCOCC3)C2)c1 ZINC000582198498 506156470 /nfs/dbraw/zinc/15/64/70/506156470.db2.gz CWAVAVGBGAJUNX-ZDUSSCGKSA-N 0 3 372.368 3.014 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411313460 499725095 /nfs/dbraw/zinc/72/50/95/499725095.db2.gz QBMYGIQTSHTCSE-RBUKOAKNSA-N 0 3 353.422 3.076 20 5 FGBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000414533832 499804177 /nfs/dbraw/zinc/80/41/77/499804177.db2.gz IVRRPRDVMDSXAZ-UHFFFAOYSA-N 0 3 350.415 3.157 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411953505 499806110 /nfs/dbraw/zinc/80/61/10/499806110.db2.gz UIGDBBUDOMJZQP-MJGOQNOKSA-N 0 3 369.421 3.040 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560108 499808924 /nfs/dbraw/zinc/80/89/24/499808924.db2.gz AGDPAWMNOWFUBL-ZIAGYGMSSA-N 0 3 360.410 3.456 20 5 FGBDHN CC[C@](CNCc1ccc(OC)c([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414595030 499812541 /nfs/dbraw/zinc/81/25/41/499812541.db2.gz YOVAWDHRCQBSLW-HXUWFJFHSA-N 0 3 372.421 3.214 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000412017447 499813257 /nfs/dbraw/zinc/81/32/57/499813257.db2.gz ZHJAPWIENPUDFU-SFHVURJKSA-N 0 3 358.442 3.065 20 5 FGBDHN Cc1cc(OCC(=O)Nc2ccc(CN(C)C)cc2F)ccc1[N+](=O)[O-] ZINC000412562013 499863552 /nfs/dbraw/zinc/86/35/52/499863552.db2.gz VPPCMPAWTQUYCK-UHFFFAOYSA-N 0 3 361.373 3.121 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)o1 ZINC000573297589 506164230 /nfs/dbraw/zinc/16/42/30/506164230.db2.gz ANDDZZXKJSVQAT-ZDUSSCGKSA-N 0 3 355.354 3.012 20 5 FGBDHN CCOCCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1CC ZINC000413136062 499918147 /nfs/dbraw/zinc/91/81/47/499918147.db2.gz SHFYRTXQXDUGOY-HNNXBMFYSA-N 0 3 358.442 3.080 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1[N+](=O)[O-] ZINC000415904850 499926575 /nfs/dbraw/zinc/92/65/75/499926575.db2.gz YOQTWIBVFSVLMH-UHFFFAOYSA-N 0 3 354.410 3.297 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415956431 499933296 /nfs/dbraw/zinc/93/32/96/499933296.db2.gz OBPZDOGNEFBANI-UHFFFAOYSA-N 0 3 372.400 3.086 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)[C@@H]1OC ZINC000429295963 500045797 /nfs/dbraw/zinc/04/57/97/500045797.db2.gz BWFXGBBWTLEVJG-VHSSKADRSA-N 0 3 363.458 3.271 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCCN1C(=O)c2ccccc2C1=O ZINC000425372978 500088304 /nfs/dbraw/zinc/08/83/04/500088304.db2.gz ORWNCVWIWLKZNI-UHFFFAOYSA-N 0 3 367.405 3.021 20 5 FGBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000425422012 500101688 /nfs/dbraw/zinc/10/16/88/500101688.db2.gz OJZQEXIWGKPUEF-UHFFFAOYSA-N 0 3 357.248 3.340 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000413955240 500107338 /nfs/dbraw/zinc/10/73/38/500107338.db2.gz LOYKVGCXOAKJDT-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN C[C@H](C(=O)N1CCN(CC2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576518564 506176890 /nfs/dbraw/zinc/17/68/90/506176890.db2.gz JZNGNMUMOWWWNR-INIZCTEOSA-N 0 3 359.470 3.423 20 5 FGBDHN COc1cc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000425618384 500161178 /nfs/dbraw/zinc/16/11/78/500161178.db2.gz FSPJKFAZUZQQQZ-MRXNPFEDSA-N 0 3 369.421 3.127 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000417855281 500184898 /nfs/dbraw/zinc/18/48/98/500184898.db2.gz QWBRWZSZDADUFF-CYBMUJFWSA-N 0 3 354.410 3.067 20 5 FGBDHN Cn1cc(CN2CCOC[C@@H](C3CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430142688 500198993 /nfs/dbraw/zinc/19/89/93/500198993.db2.gz CNFKVFQTKTYUHQ-SFHVURJKSA-N 0 3 370.453 3.244 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417989015 500210582 /nfs/dbraw/zinc/21/05/82/500210582.db2.gz SKXQVFIFXVLADR-DYVFJYSZSA-N 0 3 356.426 3.217 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)N(C)C)cc1 ZINC000426887990 500333576 /nfs/dbraw/zinc/33/35/76/500333576.db2.gz BTNVCKWXZVVJHI-SFHVURJKSA-N 0 3 371.437 3.199 20 5 FGBDHN Cc1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000447311519 500590023 /nfs/dbraw/zinc/59/00/23/500590023.db2.gz BUSIXLISPCDCGI-UHFFFAOYSA-N 0 3 354.410 3.291 20 5 FGBDHN Cc1ccn2cc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000447527140 500617245 /nfs/dbraw/zinc/61/72/45/500617245.db2.gz FFZXBGSINCJMBJ-CVEARBPZSA-N 0 3 354.414 3.021 20 5 FGBDHN CC1(C)C[C@H](N[C@H]2CCCN(c3ncccn3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433134127 500632782 /nfs/dbraw/zinc/63/27/82/500632782.db2.gz JUFHLNUZBRCHLK-KSSFIOAISA-N 0 3 367.453 3.366 20 5 FGBDHN COc1ccc(OCCN2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000437545516 500658810 /nfs/dbraw/zinc/65/88/10/500658810.db2.gz ZNBLAHZHVJRCOQ-WMLDXEAASA-N 0 3 352.456 3.342 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000447809848 500667353 /nfs/dbraw/zinc/66/73/53/500667353.db2.gz DFAKFFJAAOWTPW-KRWDZBQOSA-N 0 3 360.458 3.019 20 5 FGBDHN CCN1CCC[C@@H](CN(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000433763321 500740385 /nfs/dbraw/zinc/74/03/85/500740385.db2.gz BANVDOCZYRJKRP-HNAYVOBHSA-N 0 3 357.458 3.238 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 ZINC000433775735 500742434 /nfs/dbraw/zinc/74/24/34/500742434.db2.gz SYUABYPOUCXXPP-WMZOPIPTSA-N 0 3 355.442 3.131 20 5 FGBDHN C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1CC(C)(C)O ZINC000438349578 500775217 /nfs/dbraw/zinc/77/52/17/500775217.db2.gz YWHURGNJMATYRJ-HNNXBMFYSA-N 0 3 373.453 3.132 20 5 FGBDHN CCCCN(C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444012318 500791973 /nfs/dbraw/zinc/79/19/73/500791973.db2.gz LDYPBZIJCZLFND-UHFFFAOYSA-N 0 3 351.450 3.143 20 5 FGBDHN C[C@H](CCN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444029560 500794528 /nfs/dbraw/zinc/79/45/28/500794528.db2.gz IVVJQMUZSWUVGO-LLVKDONJSA-N 0 3 373.403 3.030 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Br ZINC000602569030 506220355 /nfs/dbraw/zinc/22/03/55/506220355.db2.gz PBZKHQAJXXRYFB-JLLWLGSASA-N 0 3 361.261 3.466 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@H]2CCCc3cn[nH]c32)cc1Br ZINC000602571369 506220862 /nfs/dbraw/zinc/22/08/62/506220862.db2.gz LAZYVZWXUXJNGC-JTQLQIEISA-N 0 3 357.233 3.309 20 5 FGBDHN C[C@H]1NCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000434709599 500882362 /nfs/dbraw/zinc/88/23/62/500882362.db2.gz HAAOQNPMDDJSIR-CABCVRRESA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1ccc([C@]2(C)CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000434743823 500887313 /nfs/dbraw/zinc/88/73/13/500887313.db2.gz BYXUXQLNGIQNPS-PZJWPPBQSA-N 0 3 370.449 3.307 20 5 FGBDHN O=[N+]([O-])c1sc(CNCCc2ccc(CO)cc2)cc1Br ZINC000602582017 506222997 /nfs/dbraw/zinc/22/29/97/506222997.db2.gz MFYUBOXDWQLQSY-UHFFFAOYSA-N 0 3 371.256 3.243 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCCCN2C2CC2)c1 ZINC000434794550 500896730 /nfs/dbraw/zinc/89/67/30/500896730.db2.gz OFBKAPQJNUFBAD-OAHLLOKOSA-N 0 3 355.385 3.303 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434946767 500914586 /nfs/dbraw/zinc/91/45/86/500914586.db2.gz KJIPUVDJYAMAOQ-UHFFFAOYSA-N 0 3 352.797 3.351 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000449104049 500925935 /nfs/dbraw/zinc/92/59/35/500925935.db2.gz SVKTVINZFSDDMR-MAUKXSAKSA-N 0 3 355.438 3.335 20 5 FGBDHN CCCCN(C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005248 500931606 /nfs/dbraw/zinc/93/16/06/500931606.db2.gz RGFJWQILFHOYFI-UHFFFAOYSA-N 0 3 351.450 3.143 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000439884065 500950130 /nfs/dbraw/zinc/95/01/30/500950130.db2.gz VUGNOFASLWGOIP-KBPBESRZSA-N 0 3 364.446 3.235 20 5 FGBDHN CCN(CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(C)C ZINC000445195567 500953702 /nfs/dbraw/zinc/95/37/02/500953702.db2.gz WFQDYATZCLAMJB-UHFFFAOYSA-N 0 3 351.450 3.141 20 5 FGBDHN COc1cc(CNC[C@](C)(OC)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000449487033 501014984 /nfs/dbraw/zinc/01/49/84/501014984.db2.gz WIWAVGVCSDLQFW-IBGZPJMESA-N 0 3 360.410 3.263 20 5 FGBDHN CN1CCC(n2ncc3cc(-c4ccc(F)cc4[N+](=O)[O-])cnc32)CC1 ZINC000598929393 506230826 /nfs/dbraw/zinc/23/08/26/506230826.db2.gz FJIQIGHITDUQCK-UHFFFAOYSA-N 0 3 355.373 3.412 20 5 FGBDHN COc1cc(C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449623748 501045435 /nfs/dbraw/zinc/04/54/35/501045435.db2.gz LYSKENVZTPNQRQ-WBMJQRKESA-N 0 3 364.423 3.380 20 5 FGBDHN CCCCNC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000440912957 501062597 /nfs/dbraw/zinc/06/25/97/501062597.db2.gz WUSMLBAGVFIGLT-UHFFFAOYSA-N 0 3 363.458 3.182 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000446102873 501075169 /nfs/dbraw/zinc/07/51/69/501075169.db2.gz KULJLLSKLNUDLR-WBVHZDCISA-N 0 3 353.422 3.469 20 5 FGBDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000436266968 501098951 /nfs/dbraw/zinc/09/89/51/501098951.db2.gz ZXFWNRDDLGOVHT-SJLPKXTDSA-N 0 3 363.458 3.157 20 5 FGBDHN Cc1nc(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000450365835 501101753 /nfs/dbraw/zinc/10/17/53/501101753.db2.gz QJLABERSQRYHNS-HXUWFJFHSA-N 0 3 367.453 3.186 20 5 FGBDHN COc1ccc(OCCN(C)CCOc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441246319 501108273 /nfs/dbraw/zinc/10/82/73/501108273.db2.gz HLQMJQZDIVWHAC-UHFFFAOYSA-N 0 3 360.410 3.301 20 5 FGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN(C2CCCCC2)CC1 ZINC000436384153 501118007 /nfs/dbraw/zinc/11/80/07/501118007.db2.gz FXYGNEYSRKNZEY-UHFFFAOYSA-N 0 3 358.364 3.463 20 5 FGBDHN COc1ccc(OCCN(C)CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441493050 501148227 /nfs/dbraw/zinc/14/82/27/501148227.db2.gz SOAJXIIZIYPFBB-UHFFFAOYSA-N 0 3 360.410 3.165 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840275 501171372 /nfs/dbraw/zinc/17/13/72/501171372.db2.gz YDFWCRSVKRQOBU-LIRRHRJNSA-N 0 3 365.437 3.081 20 5 FGBDHN COCC[C@@H](Cc1cccc(F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446841913 501172675 /nfs/dbraw/zinc/17/26/75/501172675.db2.gz BWQGROZKZMSCRR-HNNXBMFYSA-N 0 3 372.400 3.348 20 5 FGBDHN COc1ccc([C@H](CCn2cncn2)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000446939640 501183558 /nfs/dbraw/zinc/18/35/58/501183558.db2.gz PEJYPWOWJLQUPV-IBGZPJMESA-N 0 3 367.409 3.116 20 5 FGBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000450784056 501208084 /nfs/dbraw/zinc/20/80/84/501208084.db2.gz GTVSXWPRVPHTSG-UHFFFAOYSA-N 0 3 369.425 3.025 20 5 FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451204436 501251863 /nfs/dbraw/zinc/25/18/63/501251863.db2.gz UHIIDUFFTARCEJ-CYBMUJFWSA-N 0 3 371.359 3.360 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CS(=O)(=O)c3ccccc31)CCC2 ZINC000453240519 501297294 /nfs/dbraw/zinc/29/72/94/501297294.db2.gz WNARIPCZBLAJMS-KDOFPFPSSA-N 0 3 372.446 3.133 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000453245661 501297961 /nfs/dbraw/zinc/29/79/61/501297961.db2.gz LOCFSKPHUQPBQB-SUMWQHHRSA-N 0 3 362.401 3.387 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000453455972 501337186 /nfs/dbraw/zinc/33/71/86/501337186.db2.gz UULNSEVYTNRXFH-ILXRZTDVSA-N 0 3 363.483 3.209 20 5 FGBDHN CC(C)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)C(C)C ZINC000451619574 501338448 /nfs/dbraw/zinc/33/84/48/501338448.db2.gz XVHSSNPEKMORNZ-DOTOQJQBSA-N 0 3 362.430 3.024 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458224555 501398072 /nfs/dbraw/zinc/39/80/72/501398072.db2.gz XEWMDHZKUBTHOU-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1CN(C)C ZINC000458264523 501406548 /nfs/dbraw/zinc/40/65/48/501406548.db2.gz MLMBEFDTOGILQG-UHFFFAOYSA-N 0 3 357.410 3.291 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1C1CC1 ZINC000454651931 501601852 /nfs/dbraw/zinc/60/18/52/501601852.db2.gz HBMQJJYAEXHTRN-OIISXLGYSA-N 0 3 372.469 3.109 20 5 FGBDHN CN(C)CCNC(=O)c1ccc(NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000598991297 506265658 /nfs/dbraw/zinc/26/56/58/506265658.db2.gz JYMMOQCQPMMFJV-FNORWQNLSA-N 0 3 368.437 3.012 20 5 FGBDHN CN(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000611709039 506266017 /nfs/dbraw/zinc/26/60/17/506266017.db2.gz UKGWPFMDBOJBGM-QGZVFWFLSA-N 0 3 371.828 3.328 20 5 FGBDHN C[C@H]([NH2+]C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000596126317 506270186 /nfs/dbraw/zinc/27/01/86/506270186.db2.gz JZXAJDMJQPJDEK-AWEZNQCLSA-N 0 3 372.425 3.007 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCCCC2)C1 ZINC000467227727 501744983 /nfs/dbraw/zinc/74/49/83/501744983.db2.gz WKPFGPKIBCSSDX-OAHLLOKOSA-N 0 3 366.849 3.018 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485604509 501875225 /nfs/dbraw/zinc/87/52/25/501875225.db2.gz XMAPXULFNPWREF-VXGBXAGGSA-N 0 3 371.384 3.189 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000474611009 501892226 /nfs/dbraw/zinc/89/22/26/501892226.db2.gz GHGRJXPFFZAGNN-UHFFFAOYSA-N 0 3 352.394 3.433 20 5 FGBDHN C[C@H](NC(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000599021115 506281828 /nfs/dbraw/zinc/28/18/28/506281828.db2.gz DQGCUNOIYPMUHW-HOCLYGCPSA-N 0 3 360.458 3.362 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471142106 501933578 /nfs/dbraw/zinc/93/35/78/501933578.db2.gz JROGKFFRQMLYBE-LIRRHRJNSA-N 0 3 371.437 3.415 20 5 FGBDHN CC(C)[C@@H]1CN(C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209717 501956597 /nfs/dbraw/zinc/95/65/97/501956597.db2.gz DVLTYZDZECWWPX-KRWDZBQOSA-N 0 3 358.442 3.064 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468485069 502075633 /nfs/dbraw/zinc/07/56/33/502075633.db2.gz XCYMILWVJJCRKP-AEFFLSMTSA-N 0 3 361.486 3.400 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475157337 502085560 /nfs/dbraw/zinc/08/55/60/502085560.db2.gz PKNRBSNPRFFURM-RDBSUJKOSA-N 0 3 350.415 3.013 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](CCO)C3CCOCC3)o2)c1 ZINC000461413486 502103652 /nfs/dbraw/zinc/10/36/52/502103652.db2.gz NRVMQDFTGFVDDR-GOSISDBHSA-N 0 3 360.410 3.122 20 5 FGBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000478896569 502115160 /nfs/dbraw/zinc/11/51/60/502115160.db2.gz ZJTMAESRLRSQBV-HNNXBMFYSA-N 0 3 372.400 3.378 20 5 FGBDHN COc1ccc(C(=O)NCCNC/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468642793 502135119 /nfs/dbraw/zinc/13/51/19/502135119.db2.gz MHALSAPMRSFMTF-NTCAYCPXSA-N 0 3 369.421 3.026 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)N(C)Cc1ccccc1 ZINC000468656076 502137327 /nfs/dbraw/zinc/13/73/27/502137327.db2.gz RDCNPKJSMBZJKA-WJDWOHSUSA-N 0 3 353.422 3.246 20 5 FGBDHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475424025 502167647 /nfs/dbraw/zinc/16/76/47/502167647.db2.gz RYWXSRDSTXQZHM-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000475698937 502257020 /nfs/dbraw/zinc/25/70/20/502257020.db2.gz GNEWASPTELUPPW-UHFFFAOYSA-N 0 3 362.426 3.303 20 5 FGBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1N(C)C ZINC000461968782 502257135 /nfs/dbraw/zinc/25/71/35/502257135.db2.gz SSNXWZMFVGJHPO-KGLIPLIRSA-N 0 3 363.405 3.404 20 5 FGBDHN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000479441519 502260978 /nfs/dbraw/zinc/26/09/78/502260978.db2.gz OHNMHKFUKJIGFF-CYBMUJFWSA-N 0 3 353.850 3.171 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1c(C(F)(F)F)cnn1C ZINC000599061248 506302965 /nfs/dbraw/zinc/30/29/65/506302965.db2.gz PEXQBMXTWUVHCX-NSHDSACASA-N 0 3 356.348 3.458 20 5 FGBDHN CN(C)C[C@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000465595925 502320107 /nfs/dbraw/zinc/32/01/07/502320107.db2.gz IAJAQRJQZHYSBU-QGZVFWFLSA-N 0 3 353.422 3.356 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462170602 502333410 /nfs/dbraw/zinc/33/34/10/502333410.db2.gz PKJKJJZULRUMJU-QAPCUYQASA-N 0 3 353.422 3.154 20 5 FGBDHN CCOc1ccc(NC(=O)CN(CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000483276441 502336534 /nfs/dbraw/zinc/33/65/34/502336534.db2.gz FVPBOOAFCGXBPG-UHFFFAOYSA-N 0 3 361.442 3.444 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccnc(N3CCCC3)c2)n1 ZINC000472607095 502398979 /nfs/dbraw/zinc/39/89/79/502398979.db2.gz FYAZVADDACCJLQ-DLBZAZTESA-N 0 3 370.457 3.060 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000602817721 506312914 /nfs/dbraw/zinc/31/29/14/506312914.db2.gz YVIHTCLTUZPPCD-UHFFFAOYSA-N 0 3 369.425 3.429 20 5 FGBDHN Cc1c(CNC(=O)N(CCN(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480075816 502465689 /nfs/dbraw/zinc/46/56/89/502465689.db2.gz UARZCGMJYUTVFM-UHFFFAOYSA-N 0 3 370.453 3.177 20 5 FGBDHN C[C@@H](NCCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480246269 502511322 /nfs/dbraw/zinc/51/13/22/502511322.db2.gz YERHNBPIWCYVQV-GOSISDBHSA-N 0 3 368.481 3.458 20 5 FGBDHN C[C@@H](NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480340934 502542647 /nfs/dbraw/zinc/54/26/47/502542647.db2.gz YXCZMXBEVPYJFZ-MRXNPFEDSA-N 0 3 372.444 3.207 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000466476248 502580756 /nfs/dbraw/zinc/58/07/56/502580756.db2.gz YBRVMNTZCUVJMD-BEFAXECRSA-N 0 3 353.422 3.182 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000466476451 502580935 /nfs/dbraw/zinc/58/09/35/502580935.db2.gz YBRVMNTZCUVJMD-KXBFYZLASA-N 0 3 353.422 3.182 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466538468 502600944 /nfs/dbraw/zinc/60/09/44/502600944.db2.gz HGWIRKSFIBMIDV-RHSMWYFYSA-N 0 3 354.410 3.379 20 5 FGBDHN COc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000480591204 502613797 /nfs/dbraw/zinc/61/37/97/502613797.db2.gz IINLASAOIMQHAG-CQSZACIVSA-N 0 3 371.437 3.162 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488484635 502728134 /nfs/dbraw/zinc/72/81/34/502728134.db2.gz VEPNPXQGDJYMRI-AUUYWEPGSA-N 0 3 371.412 3.374 20 5 FGBDHN O=c1[nH]cnc2cc(NC[C@H]3CCN3C3CCCCC3)c([N+](=O)[O-])cc21 ZINC000599127954 506334553 /nfs/dbraw/zinc/33/45/53/506334553.db2.gz RVDORDOKSMRFLU-CYBMUJFWSA-N 0 3 357.414 3.063 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000463433104 502800409 /nfs/dbraw/zinc/80/04/09/502800409.db2.gz ACEQUMPRFYENSV-NRFANRHFSA-N 0 3 370.449 3.291 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000504895568 502819772 /nfs/dbraw/zinc/81/97/72/502819772.db2.gz USWGGRKAPYWVCF-DYVFJYSZSA-N 0 3 353.488 3.081 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000504896029 502820047 /nfs/dbraw/zinc/82/00/47/502820047.db2.gz WXGXRASYXPNHOL-UKRRQHHQSA-N 0 3 358.394 3.484 20 5 FGBDHN COCCN(C)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000505053318 502845955 /nfs/dbraw/zinc/84/59/55/502845955.db2.gz DQSWZSDQTAAMEZ-IBGZPJMESA-N 0 3 371.437 3.034 20 5 FGBDHN COC(=O)CCC[C@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000513273653 502893762 /nfs/dbraw/zinc/89/37/62/502893762.db2.gz YYOJGSDSMFPUPQ-ZIAGYGMSSA-N 0 3 374.441 3.463 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509574446 502939015 /nfs/dbraw/zinc/93/90/15/502939015.db2.gz RVXMHHNYTTUVNK-GDBMZVCRSA-N 0 3 374.441 3.459 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(Cc2ccccc2C)CC1 ZINC000588811055 506343065 /nfs/dbraw/zinc/34/30/65/506343065.db2.gz VWSGRSLZQLXLPZ-UHFFFAOYSA-N 0 3 357.458 3.140 20 5 FGBDHN C[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000505614182 502951140 /nfs/dbraw/zinc/95/11/40/502951140.db2.gz TUSWXZHXKHFKFD-IFXJQAMLSA-N 0 3 373.478 3.495 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000506206168 503069121 /nfs/dbraw/zinc/06/91/21/503069121.db2.gz LPIAGLUUFFEDHC-AWEZNQCLSA-N 0 3 351.472 3.263 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCN(C)CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000514090279 503084784 /nfs/dbraw/zinc/08/47/84/503084784.db2.gz UQWWKSLMELJEPV-CQSZACIVSA-N 0 3 359.426 3.389 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC000510508670 503128598 /nfs/dbraw/zinc/12/85/98/503128598.db2.gz BWYGGJARWLRMRJ-QRWLVFNGSA-N 0 3 371.437 3.090 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593039341 506354046 /nfs/dbraw/zinc/35/40/46/506354046.db2.gz NZBSLSNWGIYYAJ-VHSXEESVSA-N 0 3 350.268 3.420 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])N(C)C ZINC000510546663 503140753 /nfs/dbraw/zinc/14/07/53/503140753.db2.gz JDSIRVDDFGXMLV-GUYCJALGSA-N 0 3 373.457 3.171 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])N(C)C ZINC000510546661 503140910 /nfs/dbraw/zinc/14/09/10/503140910.db2.gz JDSIRVDDFGXMLV-CXAGYDPISA-N 0 3 373.457 3.171 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164100 506354215 /nfs/dbraw/zinc/35/42/15/506354215.db2.gz JPQXUIQGEPDRHL-MRXNPFEDSA-N 0 3 360.458 3.162 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000506635721 503147216 /nfs/dbraw/zinc/14/72/16/503147216.db2.gz MCQZVTRMDRZFHE-OLZOCXBDSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@H](CC(N)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498370874 503171495 /nfs/dbraw/zinc/17/14/95/503171495.db2.gz AHYOPSKLPJVUIQ-LLVKDONJSA-N 0 3 363.801 3.394 20 5 FGBDHN C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1=CCN(C)CC1 ZINC000510795798 503194923 /nfs/dbraw/zinc/19/49/23/503194923.db2.gz SEAAXTGLNOAIML-GFCCVEGCSA-N 0 3 372.450 3.099 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC000511095908 503252744 /nfs/dbraw/zinc/25/27/44/503252744.db2.gz YMUJJAPJDRJBNL-KRWDZBQOSA-N 0 3 350.369 3.353 20 5 FGBDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502867920 503293450 /nfs/dbraw/zinc/29/34/50/503293450.db2.gz PLNGXMWMQAFPFX-MFKMUULPSA-N 0 3 370.247 3.464 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511363783 503307093 /nfs/dbraw/zinc/30/70/93/503307093.db2.gz VNCNNOJRTPRVIW-ZDUSSCGKSA-N 0 3 363.483 3.476 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCCN2CCSCC2)c2ccccc2)c1 ZINC000492195079 503357528 /nfs/dbraw/zinc/35/75/28/503357528.db2.gz IMCAGNYIBSQDOW-IBGZPJMESA-N 0 3 357.479 3.323 20 5 FGBDHN CCOc1cc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582553 503375526 /nfs/dbraw/zinc/37/55/26/503375526.db2.gz LUVLQAWDUKHVPX-HOTGVXAUSA-N 0 3 366.483 3.480 20 5 FGBDHN COc1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000492662846 503379933 /nfs/dbraw/zinc/37/99/33/503379933.db2.gz YQBBPSSAKCUKJD-LJQANCHMSA-N 0 3 356.422 3.377 20 5 FGBDHN COc1cc(CN[C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493735650 503443640 /nfs/dbraw/zinc/44/36/40/503443640.db2.gz LDHATRZVZFBQFJ-HUUCEWRRSA-N 0 3 374.384 3.150 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000508312028 503472251 /nfs/dbraw/zinc/47/22/51/503472251.db2.gz AORJSBZNUGCLEA-KFWWJZLASA-N 0 3 365.499 3.312 20 5 FGBDHN CCC[C@@]1(NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000512237274 503494865 /nfs/dbraw/zinc/49/48/65/503494865.db2.gz OQRWBKQQQWXVLC-MRXNPFEDSA-N 0 3 360.357 3.254 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccccc1Cn1cncn1 ZINC000508746157 503556186 /nfs/dbraw/zinc/55/61/86/503556186.db2.gz JWLLPXWSRDVKBB-SXGWCWSVSA-N 0 3 363.421 3.428 20 5 FGBDHN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000516828210 503594641 /nfs/dbraw/zinc/59/46/41/503594641.db2.gz IJBHWTWAXOGGOP-CVEARBPZSA-N 0 3 355.438 3.335 20 5 FGBDHN COCC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000508994438 503615310 /nfs/dbraw/zinc/61/53/10/503615310.db2.gz HJWRLMJKYCMXHA-XJKSGUPXSA-N 0 3 351.447 3.271 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc2c(c1)CCS2(=O)=O ZINC000527045077 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ZINC000539426541 504568200 /nfs/dbraw/zinc/56/82/00/504568200.db2.gz GYGIQTQIICMJSJ-CYBMUJFWSA-N 0 3 352.774 3.013 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1Cn1cncn1 ZINC000548856006 504593951 /nfs/dbraw/zinc/59/39/51/504593951.db2.gz NXJVRQYQCLESRW-HNNXBMFYSA-N 0 3 351.410 3.394 20 5 FGBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545857492 504617353 /nfs/dbraw/zinc/61/73/53/504617353.db2.gz WLYWNXCYWRHNDO-ZIAGYGMSSA-N 0 3 365.449 3.391 20 5 FGBDHN COc1ccc(CN(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000521115058 504652766 /nfs/dbraw/zinc/65/27/66/504652766.db2.gz SUJNWSUQFBXDIW-UHFFFAOYSA-N 0 3 361.417 3.306 20 5 FGBDHN CC1(C)Cc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000539834807 504710416 /nfs/dbraw/zinc/71/04/16/504710416.db2.gz MQUCRXNHCAWQGW-INIZCTEOSA-N 0 3 368.437 3.390 20 5 FGBDHN CC(C)[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC1 ZINC000562343018 504789714 /nfs/dbraw/zinc/78/97/14/504789714.db2.gz OTLNEUBGHQKLBA-LJQANCHMSA-N 0 3 372.469 3.245 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000549698408 504876165 /nfs/dbraw/zinc/87/61/65/504876165.db2.gz CXYIMDWXIAIKED-OAHLLOKOSA-N 0 3 370.327 3.143 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000556860229 504998214 /nfs/dbraw/zinc/99/82/14/504998214.db2.gz YHKCDFFOPLNUMS-ACJLOTCBSA-N 0 3 362.813 3.265 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000554126475 505097567 /nfs/dbraw/zinc/09/75/67/505097567.db2.gz CBRCOPFJLKGJEG-HDMKZQKVSA-N 0 3 359.470 3.061 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000557599767 505178980 /nfs/dbraw/zinc/17/89/80/505178980.db2.gz KGGUPQUQGZTMNY-RYUDHWBXSA-N 0 3 371.359 3.312 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000566502114 505190479 /nfs/dbraw/zinc/19/04/79/505190479.db2.gz XSPDNGASCFPUQX-JKSUJKDBSA-N 0 3 361.442 3.017 20 5 FGBDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000563690471 505212246 /nfs/dbraw/zinc/21/22/46/505212246.db2.gz ALRXUFNDIMHEQX-UHFFFAOYSA-N 0 3 360.414 3.362 20 5 FGBDHN CCC1(CC)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)[C@@H]1OC ZINC000566694399 505246355 /nfs/dbraw/zinc/24/63/55/505246355.db2.gz AIMIINNVDWAYFA-PJSAGSTRSA-N 0 3 364.442 3.391 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2ccc(F)cc2C1 ZINC000563834020 505252400 /nfs/dbraw/zinc/25/24/00/505252400.db2.gz IXIDSHYSUYKYHC-BLLLJJGKSA-N 0 3 373.384 3.044 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)c1ccco1 ZINC000557909808 505260372 /nfs/dbraw/zinc/26/03/72/505260372.db2.gz OJXXPMPXOFOSAC-GXTWGEPZSA-N 0 3 361.398 3.056 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000561329432 505316234 /nfs/dbraw/zinc/31/62/34/505316234.db2.gz XCNVDAGDFVFKJY-SUMWQHHRSA-N 0 3 362.401 3.387 20 5 FGBDHN CSCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558484432 505404896 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O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)s1 ZINC000596526058 506446422 /nfs/dbraw/zinc/44/64/22/506446422.db2.gz PTPIFLOHNFOEDM-OAHLLOKOSA-N 0 3 358.467 3.187 20 5 FGBDHN COc1ccc2c(c1)CC[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000612193997 506477111 /nfs/dbraw/zinc/47/71/11/506477111.db2.gz ARKUWAAKIGDBBV-INIZCTEOSA-N 0 3 372.421 3.268 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000599514531 506481601 /nfs/dbraw/zinc/48/16/01/506481601.db2.gz XRDYQVBEFSPXFJ-TXEJJXNPSA-N 0 3 355.385 3.455 20 5 FGBDHN Cc1cccc(N2CCN(CCCCNc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000603851727 506634148 /nfs/dbraw/zinc/63/41/48/506634148.db2.gz XZJBPBXIVFRUCT-UHFFFAOYSA-N 0 3 369.469 3.313 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000603854112 506635465 /nfs/dbraw/zinc/63/54/65/506635465.db2.gz WIFCKMHDOBAGDH-UHFFFAOYSA-N 0 3 372.444 3.484 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599792197 506639172 /nfs/dbraw/zinc/63/91/72/506639172.db2.gz YYZBWTJNXILMFA-HNNXBMFYSA-N 0 3 362.430 3.132 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593495802 506653142 /nfs/dbraw/zinc/65/31/42/506653142.db2.gz JGNXVSHILOTLDR-VQTJNVASSA-N 0 3 371.412 3.214 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000603920575 506658827 /nfs/dbraw/zinc/65/88/27/506658827.db2.gz YFQYPCGYKUACRN-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950164 506685760 /nfs/dbraw/zinc/68/57/60/506685760.db2.gz WBQDECYNRSWHMY-NVBFEUDRSA-N 0 3 362.348 3.490 20 5 FGBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)c2ccccc2)CC1 ZINC000604200304 506749075 /nfs/dbraw/zinc/74/90/75/506749075.db2.gz HFHNHFAXFSMHJL-SFHVURJKSA-N 0 3 370.453 3.136 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccccc2F)CC2CC2)c1 ZINC000604291631 506774416 /nfs/dbraw/zinc/77/44/16/506774416.db2.gz FCBMXBRROYEUDJ-GOSISDBHSA-N 0 3 374.412 3.386 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000590264717 506776575 /nfs/dbraw/zinc/77/65/75/506776575.db2.gz CSZQMSXNUQOOAF-LZBRWLDZSA-N 0 3 374.441 3.259 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000593897489 506826356 /nfs/dbraw/zinc/82/63/56/506826356.db2.gz MDBMAIWPDBMGAM-DOMZBBRYSA-N 0 3 363.389 3.115 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000600227710 506860034 /nfs/dbraw/zinc/86/00/34/506860034.db2.gz FCKBUHKDPBIATQ-CQSZACIVSA-N 0 3 363.483 3.454 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600230299 506862092 /nfs/dbraw/zinc/86/20/92/506862092.db2.gz QODHENFFLLICGJ-OAHLLOKOSA-N 0 3 361.442 3.130 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](c1ccncc1)C1(CO)CCC1 ZINC000597255192 506863201 /nfs/dbraw/zinc/86/32/01/506863201.db2.gz SRGRTMUDKWYHHS-MTGFJVSHSA-N 0 3 353.422 3.497 20 5 FGBDHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604535245 506865280 /nfs/dbraw/zinc/86/52/80/506865280.db2.gz OTCWTGWCCFWKOK-CRAIPNDOSA-N 0 3 368.437 3.079 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594056474 506910685 /nfs/dbraw/zinc/91/06/85/506910685.db2.gz DEDRUWKNRAWMAY-HUUCEWRRSA-N 0 3 352.822 3.387 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594108902 506944694 /nfs/dbraw/zinc/94/46/94/506944694.db2.gz ZOEPERYOVKKFQK-GOEBONIOSA-N 0 3 362.430 3.132 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600471795 506963193 /nfs/dbraw/zinc/96/31/93/506963193.db2.gz UZPPGUDCPXUZNV-AWEZNQCLSA-N 0 3 351.834 3.303 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594198086 507001194 /nfs/dbraw/zinc/00/11/94/507001194.db2.gz ROOVERPHZSQYIH-KBPBESRZSA-N 0 3 371.359 3.360 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198703 507003268 /nfs/dbraw/zinc/00/32/68/507003268.db2.gz VDMUJRFDEPEFPT-DZGCQCFKSA-N 0 3 371.359 3.360 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OCCN(C)C ZINC000583894844 507034943 /nfs/dbraw/zinc/03/49/43/507034943.db2.gz KYPXWXSCLSRNBI-LFIBNONCSA-N 0 3 370.453 3.123 20 5 FGBDHN CC(C)(NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594283370 507061177 /nfs/dbraw/zinc/06/11/77/507061177.db2.gz GSDWRTRQUDZHBD-IAGOWNOFSA-N 0 3 360.458 3.146 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC2(O)Cc3ccccc3C2)o1 ZINC000610010183 507070624 /nfs/dbraw/zinc/07/06/24/507070624.db2.gz IULUWXLJLQCOMK-UHFFFAOYSA-N 0 3 364.401 3.474 20 5 FGBDHN CC(C)N1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000610009924 507070835 /nfs/dbraw/zinc/07/08/35/507070835.db2.gz FNZYQCNLEVYIQV-CQSZACIVSA-N 0 3 359.451 3.422 20 5 FGBDHN Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296626 507182673 /nfs/dbraw/zinc/18/26/73/507182673.db2.gz IKTZFEOJPGSDLI-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000610296455 507183346 /nfs/dbraw/zinc/18/33/46/507183346.db2.gz DFIDNYCYMWIWHC-KRWDZBQOSA-N 0 3 357.385 3.080 20 5 FGBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000594595103 507200895 /nfs/dbraw/zinc/20/08/95/507200895.db2.gz RUWADCLJIQAOPK-UHFFFAOYSA-N 0 3 374.485 3.141 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cc(Cl)cc(Cl)c1 ZINC000594718849 507251638 /nfs/dbraw/zinc/25/16/38/507251638.db2.gz WFBYVFZVAQUDPY-AWEZNQCLSA-N 0 3 371.220 3.431 20 5 FGBDHN Cc1c(Br)cncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000594927840 507317150 /nfs/dbraw/zinc/31/71/50/507317150.db2.gz WWUMHCIIKXPXOW-UHFFFAOYSA-N 0 3 366.215 3.229 20 5 FGBDHN Cc1c(Br)cncc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000594938168 507322165 /nfs/dbraw/zinc/32/21/65/507322165.db2.gz RBHUMXANBJMQDB-UHFFFAOYSA-N 0 3 350.216 3.393 20 5 FGBDHN COc1cc(CNCCc2noc3ccccc23)c([N+](=O)[O-])cc1OC ZINC000594953837 507329594 /nfs/dbraw/zinc/32/95/94/507329594.db2.gz IRPQJQNTTOJXPQ-UHFFFAOYSA-N 0 3 357.366 3.086 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H]3C[C@H](O)C34CCC4)o2)c([N+](=O)[O-])c1 ZINC000594985880 507342975 /nfs/dbraw/zinc/34/29/75/507342975.db2.gz BPEGPBMRPAPBIX-ROUUACIJSA-N 0 3 358.394 3.257 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598264910 507348298 /nfs/dbraw/zinc/34/82/98/507348298.db2.gz RREAUWOXFJPHIL-GFCCVEGCSA-N 0 3 371.384 3.046 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598264911 507348448 /nfs/dbraw/zinc/34/84/48/507348448.db2.gz RREAUWOXFJPHIL-LBPRGKRZSA-N 0 3 371.384 3.046 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000598262391 507348590 /nfs/dbraw/zinc/34/85/90/507348590.db2.gz JRELUXSQDRRVMD-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595004190 507351214 /nfs/dbraw/zinc/35/12/14/507351214.db2.gz OYFCGVOTIIPULG-ZNMIVQPWSA-N 0 3 365.474 3.142 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000595052226 507369943 /nfs/dbraw/zinc/36/99/43/507369943.db2.gz RLMKKNLIKZZNGR-QMIHWGKISA-N 0 3 356.422 3.420 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000595067823 507376678 /nfs/dbraw/zinc/37/66/78/507376678.db2.gz YICZBANEJUBHGR-RKTXRCNFSA-N 0 3 366.458 3.210 20 5 FGBDHN COc1cccc(OC)c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595074400 507380020 /nfs/dbraw/zinc/38/00/20/507380020.db2.gz RJFZIZMZWFCDGX-GJZGRUSLSA-N 0 3 360.414 3.082 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@H](C)O ZINC000595101981 507393205 /nfs/dbraw/zinc/39/32/05/507393205.db2.gz GVJUHKUCGXMKKJ-TYILLQQXSA-N 0 3 357.410 3.024 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000611087628 507511288 /nfs/dbraw/zinc/51/12/88/507511288.db2.gz AVDGEWVRBFFXLO-UHFFFAOYSA-N 0 3 370.453 3.034 20 5 FGBDHN COc1ccc(F)c(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000598677628 507549970 /nfs/dbraw/zinc/54/99/70/507549970.db2.gz QMBWFKICBVCBRW-LBPRGKRZSA-N 0 3 361.373 3.249 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)N(C)C ZINC000611200118 507559993 /nfs/dbraw/zinc/55/99/93/507559993.db2.gz FIRKHDDKYYKGJX-GFCCVEGCSA-N 0 3 351.472 3.309 20 5 FGBDHN COc1cc(N2CC[C@H](N(C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000611256206 507583997 /nfs/dbraw/zinc/58/39/97/507583997.db2.gz SYRXEFSPWTWOSO-HNNXBMFYSA-N 0 3 359.401 3.453 20 5 FGBDHN C[C@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592394972 507636746 /nfs/dbraw/zinc/63/67/46/507636746.db2.gz SNQRXOMDPRJWIW-AWEZNQCLSA-N 0 3 364.442 3.384 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(CC3CCCCC3)CC2)s1 ZINC000587528679 507712354 /nfs/dbraw/zinc/71/23/54/507712354.db2.gz DDRKPWOFOBPOLR-UHFFFAOYSA-N 0 3 361.471 3.302 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCN3CCCC[C@H]23)cc1Br ZINC000602514716 507733478 /nfs/dbraw/zinc/73/34/78/507733478.db2.gz PPNRZCRPCFXWDS-VXGBXAGGSA-N 0 3 360.277 3.135 20 5 FGBDHN COCCOc1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000526063289 568209793 /nfs/dbraw/zinc/20/97/93/568209793.db2.gz FFKIEMAEXSUQGY-XNTDXEJSSA-N 0 3 357.410 3.208 20 5 FGBDHN COCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[C@H](C)C1 ZINC000616742547 714597155 /nfs/dbraw/zinc/59/71/55/714597155.db2.gz DLTGWCBKRWPCFE-ZFWWWQNUSA-N 0 3 350.415 3.003 20 5 FGBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619566994 714853555 /nfs/dbraw/zinc/85/35/55/714853555.db2.gz GINYGUHCWMGGSY-ZIAGYGMSSA-N 0 3 351.472 3.018 20 5 FGBDHN CCc1cc(N2C[C@H](C)N(C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330848 719244335 /nfs/dbraw/zinc/24/43/35/719244335.db2.gz WNYYBWMGUFIHNX-KBPBESRZSA-N 0 3 355.442 3.143 20 5 FGBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000762582172 723257794 /nfs/dbraw/zinc/25/77/94/723257794.db2.gz MZYMQMKINJLQDQ-CYBMUJFWSA-N 0 3 351.422 3.002 20 5 FGBDHN COc1cc(F)c([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000768535871 723660726 /nfs/dbraw/zinc/66/07/26/723660726.db2.gz QXQTVOVTDDIYSQ-CHWSQXEVSA-N 0 3 355.410 3.044 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000797476368 723824713 /nfs/dbraw/zinc/82/47/13/723824713.db2.gz RPROTEIXYVKPMF-UHFFFAOYSA-N 0 3 350.415 3.300 20 5 FGBDHN COCCN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCCC1 ZINC000774627719 723911787 /nfs/dbraw/zinc/91/17/87/723911787.db2.gz SVJLAPYFYANMEY-UHFFFAOYSA-N 0 3 352.822 3.446 20 5 FGBDHN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787327544 725025059 /nfs/dbraw/zinc/02/50/59/725025059.db2.gz UGBQZRSNWXRDJQ-BTDLBPIBSA-N 0 3 364.785 3.189 20 5 FGBDHN COC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000787422196 725027965 /nfs/dbraw/zinc/02/79/65/725027965.db2.gz BDQNCTNHGURVMD-SFHVURJKSA-N 0 3 362.813 3.469 20 5 FGBDHN COC(=O)[C@@](C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000787429976 725028100 /nfs/dbraw/zinc/02/81/00/725028100.db2.gz XJKBSODXQHBFMO-SFHVURJKSA-N 0 3 362.813 3.469 20 5 FGBDHN COC(=O)[C@](C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000787429975 725028152 /nfs/dbraw/zinc/02/81/52/725028152.db2.gz XJKBSODXQHBFMO-GOSISDBHSA-N 0 3 362.813 3.469 20 5 FGBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000810665937 725321521 /nfs/dbraw/zinc/32/15/21/725321521.db2.gz GNGNLXOLIORQLU-QGZVFWFLSA-N 0 3 371.840 3.119 20 5 FGBDHN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102036 726839076 /nfs/dbraw/zinc/83/90/76/726839076.db2.gz ACFXPTMDCOURLS-JTQLQIEISA-N 0 3 369.830 3.135 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000831307536 729631792 /nfs/dbraw/zinc/63/17/92/729631792.db2.gz CKUOIZJONJXIHB-LSDHHAIUSA-N 0 3 367.833 3.124 20 5 FGBDHN CC([C@H](OC(=O)CSc1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873889 730904882 /nfs/dbraw/zinc/90/48/82/730904882.db2.gz XKPCBXZGPGWGQM-ZBEGNZNMSA-N 0 3 350.371 3.263 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254752 731041007 /nfs/dbraw/zinc/04/10/07/731041007.db2.gz HIKZCEBSWWBJMY-LSDHHAIUSA-N 0 3 351.834 3.303 20 5 FGBDHN Cc1nc2sccn2c1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855001 732584498 /nfs/dbraw/zinc/58/44/98/732584498.db2.gz OUDLIJKSUSGUTD-QMTHXVAHSA-N 0 3 363.370 3.407 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N1CCCCC1 ZINC000872024709 735578104 /nfs/dbraw/zinc/57/81/04/735578104.db2.gz DGEHDERJUUTKAQ-CYBMUJFWSA-N 0 3 351.472 3.370 20 5 FGBDHN COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872063506 735583195 /nfs/dbraw/zinc/58/31/95/735583195.db2.gz QTTPRQPLWWRXTL-NEPJUHHUSA-N 0 3 353.394 3.251 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000872217233 735603949 /nfs/dbraw/zinc/60/39/49/735603949.db2.gz QQVPFEQCPLHJOE-IRXDYDNUSA-N 0 3 368.792 3.134 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN(C)C ZINC000929418217 760381574 /nfs/dbraw/zinc/38/15/74/760381574.db2.gz AXAIBKRPNQFNAP-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932824947 761254523 /nfs/dbraw/zinc/25/45/23/761254523.db2.gz JGQPPSMDLXQQDE-UHFFFAOYSA-N 0 3 362.348 3.001 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CN(C)Cc2ccccc21 ZINC000536848825 503739623 /nfs/dbraw/zinc/73/96/23/503739623.db2.gz ZWWUXQITGYREBU-AUUYWEPGSA-N 0 3 368.437 3.088 20 5 FGBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573933553 505654442 /nfs/dbraw/zinc/65/44/42/505654442.db2.gz HZOAQQPSEBXSEB-BXWFABGCSA-N 0 3 356.426 3.052 20 5 FGBDHN CCN(CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000029620847 493847609 /nfs/dbraw/zinc/84/76/09/493847609.db2.gz FCGUVAGEYPUPKS-MRXNPFEDSA-N 0 3 362.455 3.250 20 5 FGBDHN Cc1c(NC(=O)CCN2CCN(C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000081597759 493925420 /nfs/dbraw/zinc/92/54/20/493925420.db2.gz APQCNEZQPAGINU-UHFFFAOYSA-N 0 3 374.485 3.182 20 5 FGBDHN CCN(CC)Cc1cccc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000060364131 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CN(C)CCOc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000153597846 496512302 /nfs/dbraw/zinc/51/23/02/496512302.db2.gz XIQDLPAKNISAGR-UHFFFAOYSA-N 0 3 350.806 3.196 20 5 FGBDHN Cc1c([C@@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000163802646 496559572 /nfs/dbraw/zinc/55/95/72/496559572.db2.gz LDRSUIZBJWCJOJ-OAHLLOKOSA-N 0 3 371.437 3.221 20 5 FGBDHN CC(C)[C@@H]1CN(C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182134415 496683009 /nfs/dbraw/zinc/68/30/09/496683009.db2.gz VPFATWMLLVYMSM-KRWDZBQOSA-N 0 3 360.483 3.490 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000158421397 496697967 /nfs/dbraw/zinc/69/79/67/496697967.db2.gz YAFDUYGVBUPDTR-OLZOCXBDSA-N 0 3 351.472 3.262 20 5 FGBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000182178229 496698910 /nfs/dbraw/zinc/69/89/10/496698910.db2.gz VGOOJBBBRPPSKG-RDJZCZTQSA-N 0 3 360.410 3.084 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188329017 496754828 /nfs/dbraw/zinc/75/48/28/496754828.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 0 3 369.465 3.225 20 5 FGBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1CN1CCCCC1 ZINC000263906565 496759802 /nfs/dbraw/zinc/75/98/02/496759802.db2.gz HVJJJNIQRROHHC-HNNXBMFYSA-N 0 3 356.426 3.167 20 5 FGBDHN Cc1c([C@H](C)NCc2ccccc2Cn2cncn2)cccc1[N+](=O)[O-] ZINC000268770523 496779518 /nfs/dbraw/zinc/77/95/18/496779518.db2.gz PTTXATNJCCJZMR-HNNXBMFYSA-N 0 3 351.410 3.394 20 5 FGBDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191493828 496781948 /nfs/dbraw/zinc/78/19/48/496781948.db2.gz QKNLYHOKIZDIPK-HNNXBMFYSA-N 0 3 373.457 3.093 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000247240979 496813498 /nfs/dbraw/zinc/81/34/98/496813498.db2.gz ZOPDYEROOGACEV-IJEWVQPXSA-N 0 3 369.421 3.385 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000195332772 496893176 /nfs/dbraw/zinc/89/31/76/496893176.db2.gz YLAXLUXSXPDIIF-KRWDZBQOSA-N 0 3 373.457 3.377 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCCCC2)C1 ZINC000264576994 496934229 /nfs/dbraw/zinc/93/42/29/496934229.db2.gz IRBXVZNRVUFIEB-CYBMUJFWSA-N 0 3 352.822 3.340 20 5 FGBDHN O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(CN4CCCC4)c3)n2)nc1 ZINC000274066134 497006848 /nfs/dbraw/zinc/00/68/48/497006848.db2.gz WFWKNRLKHWPLFE-UHFFFAOYSA-N 0 3 365.393 3.226 20 5 FGBDHN Cc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248747874 497097470 /nfs/dbraw/zinc/09/74/70/497097470.db2.gz FPZXNTKMMGBOAL-KDOFPFPSSA-N 0 3 353.422 3.154 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000248830448 497112672 /nfs/dbraw/zinc/11/26/72/497112672.db2.gz HHXZUTRGBUVWLC-YJBOKZPZSA-N 0 3 353.426 3.021 20 5 FGBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000248910599 497132894 /nfs/dbraw/zinc/13/28/94/497132894.db2.gz QTNGMRMPZSASMV-SUMWQHHRSA-N 0 3 358.394 3.486 20 5 FGBDHN C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266072765 497247932 /nfs/dbraw/zinc/24/79/32/497247932.db2.gz DFDXFIFRKGFVFL-WMLDXEAASA-N 0 3 361.467 3.380 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2CNCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000237623758 497264626 /nfs/dbraw/zinc/26/46/26/497264626.db2.gz OBKVFVANFJWBFG-IRXDYDNUSA-N 0 3 369.465 3.494 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000266282841 497295449 /nfs/dbraw/zinc/29/54/49/497295449.db2.gz HAICOVUGBGNQFK-CMPLNLGQSA-N 0 3 359.348 3.168 20 5 FGBDHN Cc1sc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000193191090 497320678 /nfs/dbraw/zinc/32/06/78/497320678.db2.gz CMWPBBUMAAPXBW-UHFFFAOYSA-N 0 3 373.478 3.402 20 5 FGBDHN O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275687562 497404000 /nfs/dbraw/zinc/40/40/00/497404000.db2.gz PFZYNWJTPBYWLP-PMACEKPBSA-N 0 3 361.445 3.450 20 5 FGBDHN COc1ccc(CN2CCNC[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000261858635 497462790 /nfs/dbraw/zinc/46/27/90/497462790.db2.gz WEGFAZMOAONOQV-KRWDZBQOSA-N 0 3 361.829 3.403 20 5 FGBDHN CC(C)N1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272240163 497574815 /nfs/dbraw/zinc/57/48/15/497574815.db2.gz KUIGZFUUBQJZTD-UHFFFAOYSA-N 0 3 371.384 3.141 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000267577349 497581312 /nfs/dbraw/zinc/58/13/12/497581312.db2.gz LXVMODXJXIRIBF-OLZOCXBDSA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000246697253 497801537 /nfs/dbraw/zinc/80/15/37/497801537.db2.gz KRVYEAOMUFEXOV-QWHCGFSZSA-N 0 3 353.850 3.027 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581217477 505935897 /nfs/dbraw/zinc/93/58/97/505935897.db2.gz JFXRCLZPHTXVLG-CRAIPNDOSA-N 0 3 371.437 3.150 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000572317210 505939798 /nfs/dbraw/zinc/93/97/98/505939798.db2.gz RILZTTOGLSWJDC-QGZVFWFLSA-N 0 3 357.458 3.220 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCN1CCCCCC1)C1CCC1 ZINC000572321161 505940834 /nfs/dbraw/zinc/94/08/34/505940834.db2.gz BGPBABKRQBMKFB-UHFFFAOYSA-N 0 3 359.470 3.394 20 5 FGBDHN Cc1c([C@@H](C)N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cccc1[N+](=O)[O-] ZINC000296262289 497976393 /nfs/dbraw/zinc/97/63/93/497976393.db2.gz DISGWODECFLCKU-OWCLPIDISA-N 0 3 353.422 3.245 20 5 FGBDHN Cn1cc(CN2CCC3(CCOCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285179386 498014527 /nfs/dbraw/zinc/01/45/27/498014527.db2.gz QCOQGLUREFQZHT-UHFFFAOYSA-N 0 3 370.453 3.388 20 5 FGBDHN COc1cc(CNC[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000289195723 498055256 /nfs/dbraw/zinc/05/52/56/498055256.db2.gz BBVQFICTNMODGN-NEPJUHHUSA-N 0 3 374.384 3.010 20 5 FGBDHN CS[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000330500030 498143733 /nfs/dbraw/zinc/14/37/33/498143733.db2.gz MLKZKCVQNHGROD-HOTGVXAUSA-N 0 3 365.499 3.010 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289512919 498175539 /nfs/dbraw/zinc/17/55/39/498175539.db2.gz KXDWWWLHDNETHC-MJGOQNOKSA-N 0 3 373.453 3.265 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301869735 498304730 /nfs/dbraw/zinc/30/47/30/498304730.db2.gz CPUZIFSXOLIGQY-UHFFFAOYSA-N 0 3 361.833 3.391 20 5 FGBDHN O=C(CN[C@@H]1CCCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281931610 498324552 /nfs/dbraw/zinc/32/45/52/498324552.db2.gz DJPNCMBTEJFFAW-OAHLLOKOSA-N 0 3 367.833 3.126 20 5 FGBDHN Cc1ccnc(N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000302106360 498408645 /nfs/dbraw/zinc/40/86/45/498408645.db2.gz XPFXNHAEBJEILZ-UHFFFAOYSA-N 0 3 363.421 3.481 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCC3)C2)nc1OCc1ccccc1 ZINC000302148935 498417121 /nfs/dbraw/zinc/41/71/21/498417121.db2.gz ANIRIFQXESKFTC-KRWDZBQOSA-N 0 3 368.437 3.243 20 5 FGBDHN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293655632 498443855 /nfs/dbraw/zinc/44/38/55/498443855.db2.gz IVILPLSRXCMTDP-CYBMUJFWSA-N 0 3 354.410 3.155 20 5 FGBDHN CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000331876333 498484326 /nfs/dbraw/zinc/48/43/26/498484326.db2.gz CCLSRIOZIDPBGZ-OAHLLOKOSA-N 0 3 358.442 3.370 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1N1CCCN(Cc3ccccc3)CC1)CCN2 ZINC000302520713 498500894 /nfs/dbraw/zinc/50/08/94/498500894.db2.gz BRASKPSXHZDOCQ-UHFFFAOYSA-N 0 3 352.438 3.275 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297714959 498544993 /nfs/dbraw/zinc/54/49/93/498544993.db2.gz IGRMFZDKPHDKBS-LLVKDONJSA-N 0 3 373.375 3.416 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365744822 498621563 /nfs/dbraw/zinc/62/15/63/498621563.db2.gz AILPXDUDJFXYAZ-NVXWUHKLSA-N 0 3 371.462 3.250 20 5 FGBDHN CCN(C)CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000303647093 498699506 /nfs/dbraw/zinc/69/95/06/498699506.db2.gz WLTNPHNYJXVFMR-UHFFFAOYSA-N 0 3 353.488 3.415 20 5 FGBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000303944268 498730844 /nfs/dbraw/zinc/73/08/44/498730844.db2.gz ZBANCYZXVKSAFX-DLBZAZTESA-N 0 3 363.458 3.109 20 5 FGBDHN Cc1nnc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)[nH]1 ZINC000366010606 498731267 /nfs/dbraw/zinc/73/12/67/498731267.db2.gz ZHLLPKVCWVONIW-UHFFFAOYSA-N 0 3 359.430 3.188 20 5 FGBDHN Cc1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000312091299 498755488 /nfs/dbraw/zinc/75/54/88/498755488.db2.gz ZMVOYSMFIIWHMA-ZWKOTPCHSA-N 0 3 352.438 3.257 20 5 FGBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000312073437 498756723 /nfs/dbraw/zinc/75/67/23/498756723.db2.gz OWOAHWPIRNTVPA-QZTJIDSGSA-N 0 3 352.438 3.257 20 5 FGBDHN CON(C)C(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000291154522 498818943 /nfs/dbraw/zinc/81/89/43/498818943.db2.gz BRNFGYRFWBKPPF-UHFFFAOYSA-N 0 3 373.409 3.087 20 5 FGBDHN C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842938 498998298 /nfs/dbraw/zinc/99/82/98/498998298.db2.gz AYLDSBYNWCDSFU-CQSZACIVSA-N 0 3 368.437 3.150 20 5 FGBDHN Cc1cc(CN2CCC(N(C)Cc3cccc([N+](=O)[O-])c3C)CC2)on1 ZINC000369904688 499149363 /nfs/dbraw/zinc/14/93/63/499149363.db2.gz PKZPYQXBSGNMIH-UHFFFAOYSA-N 0 3 358.442 3.296 20 5 FGBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2cncnc2)cc1 ZINC000370365911 499213759 /nfs/dbraw/zinc/21/37/59/499213759.db2.gz HXBUJJXCGZKAPE-VBKZILBWSA-N 0 3 364.405 3.436 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1 ZINC000370375670 499214804 /nfs/dbraw/zinc/21/48/04/499214804.db2.gz WTBOEZPVQJMUGK-CRAIPNDOSA-N 0 3 359.451 3.416 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2nnc3n2CCC3)CC1 ZINC000368043298 499258829 /nfs/dbraw/zinc/25/88/29/499258829.db2.gz MJUCFUGZKSEFPU-CQSZACIVSA-N 0 3 355.442 3.382 20 5 FGBDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000368695103 499322645 /nfs/dbraw/zinc/32/26/45/499322645.db2.gz RIUCYKKLIHPBRK-HNNXBMFYSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([C@H]2CCCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000368695103 499322646 /nfs/dbraw/zinc/32/26/46/499322646.db2.gz RIUCYKKLIHPBRK-HNNXBMFYSA-N 0 3 371.441 3.143 20 5 FGBDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000579313546 506143034 /nfs/dbraw/zinc/14/30/34/506143034.db2.gz YPRVNAHGUABIGN-LJQANCHMSA-N 0 3 364.442 3.405 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567224 499419483 /nfs/dbraw/zinc/41/94/83/499419483.db2.gz HDRRASDBVUGTKE-YOEHRIQHSA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369568131 499419507 /nfs/dbraw/zinc/41/95/07/499419507.db2.gz KBAUDRWSYGPMIO-WGLAPVJTSA-N 0 3 371.462 3.479 20 5 FGBDHN Cc1cc(N2CCN(C3CCOCC3)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000369692420 499436985 /nfs/dbraw/zinc/43/69/85/499436985.db2.gz MYGSYYVEVIZWHY-OAHLLOKOSA-N 0 3 370.453 3.141 20 5 FGBDHN O=C(CCN1CCC(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000378263543 499495964 /nfs/dbraw/zinc/49/59/64/499495964.db2.gz ZKBOMSOJXCHXBU-UHFFFAOYSA-N 0 3 354.410 3.198 20 5 FGBDHN O=[N+]([O-])c1cccc(F)c1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397558241 499564119 /nfs/dbraw/zinc/56/41/19/499564119.db2.gz OSLAJMXXYSSBMN-UHFFFAOYSA-N 0 3 359.401 3.173 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397999706 499565404 /nfs/dbraw/zinc/56/54/04/499565404.db2.gz VGHSERQYQDXGDA-GOSISDBHSA-N 0 3 370.453 3.262 20 5 FGBDHN CNc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015638 499566334 /nfs/dbraw/zinc/56/63/34/499566334.db2.gz WFDKQBQYSSEZAJ-YOEHRIQHSA-N 0 3 368.437 3.029 20 5 FGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ccccc2)CC1 ZINC000377522419 499700249 /nfs/dbraw/zinc/70/02/49/499700249.db2.gz DZFXCAULICTOCP-FQEVSTJZSA-N 0 3 355.438 3.229 20 5 FGBDHN Cn1cccc1[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411309784 499724930 /nfs/dbraw/zinc/72/49/30/499724930.db2.gz SCXCHNZOODGXKN-GOSISDBHSA-N 0 3 356.426 3.489 20 5 FGBDHN COc1ccccc1C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411365023 499730117 /nfs/dbraw/zinc/73/01/17/499730117.db2.gz MQTBAJIWMBDLME-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN C[C@H](NCCC(=O)N1CCOc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377954599 499750769 /nfs/dbraw/zinc/75/07/69/499750769.db2.gz NMXKZOSJPHIKRZ-HNNXBMFYSA-N 0 3 369.421 3.057 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CO)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560104 499809160 /nfs/dbraw/zinc/80/91/60/499809160.db2.gz AGDPAWMNOWFUBL-KBPBESRZSA-N 0 3 360.410 3.456 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000412045748 499816513 /nfs/dbraw/zinc/81/65/13/499816513.db2.gz PZOFOPZTMOALCG-MRXNPFEDSA-N 0 3 361.442 3.082 20 5 FGBDHN CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000412224932 499835961 /nfs/dbraw/zinc/83/59/61/499835961.db2.gz VZODHWXKJKWYCW-YRPNKDGESA-N 0 3 365.433 3.260 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000412568460 499864290 /nfs/dbraw/zinc/86/42/90/499864290.db2.gz FNBFIKPDVSVHHD-UHFFFAOYSA-N 0 3 373.384 3.397 20 5 FGBDHN CCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000412883285 499893345 /nfs/dbraw/zinc/89/33/45/499893345.db2.gz WABBJXYBKYMDFE-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCCN(CCCc3ccccc3)CC2)c(F)c1 ZINC000413106578 499914598 /nfs/dbraw/zinc/91/45/98/499914598.db2.gz JVZMBLDSPGREQT-UHFFFAOYSA-N 0 3 358.417 3.274 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000425017098 499995045 /nfs/dbraw/zinc/99/50/45/499995045.db2.gz YBEJMFYAFKUDPY-FXAWDEMLSA-N 0 3 365.433 3.250 20 5 FGBDHN CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573317361 506169844 /nfs/dbraw/zinc/16/98/44/506169844.db2.gz GALLOYFGPCMORI-WBVHZDCISA-N 0 3 372.421 3.010 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COCc2ccccc21 ZINC000417406913 500063994 /nfs/dbraw/zinc/06/39/94/500063994.db2.gz SBRNGSYADJQWBE-UGSOOPFHSA-N 0 3 355.394 3.173 20 5 FGBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000425407010 500095715 /nfs/dbraw/zinc/09/57/15/500095715.db2.gz QFLYIDHQLFACJO-CQSZACIVSA-N 0 3 354.248 3.026 20 5 FGBDHN Cc1noc(C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000429546599 500099126 /nfs/dbraw/zinc/09/91/26/500099126.db2.gz ILHMHUVAWWUHGX-GOSISDBHSA-N 0 3 368.393 3.239 20 5 FGBDHN C[C@H](CO)N(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000425442262 500107383 /nfs/dbraw/zinc/10/73/83/500107383.db2.gz JHJMKFPQNRAWRG-LLVKDONJSA-N 0 3 357.248 3.483 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCCN(C)C ZINC000421755954 500140972 /nfs/dbraw/zinc/14/09/72/500140972.db2.gz IBJOZVCNZMWDBI-UHFFFAOYSA-N 0 3 371.437 3.082 20 5 FGBDHN CN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429929754 500168524 /nfs/dbraw/zinc/16/85/24/500168524.db2.gz SQAJHXXJICKDHD-GOSISDBHSA-N 0 3 355.438 3.292 20 5 FGBDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000430111421 500194495 /nfs/dbraw/zinc/19/44/95/500194495.db2.gz QWECZEGIFCHRQH-HXUWFJFHSA-N 0 3 354.406 3.220 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000576545677 506183231 /nfs/dbraw/zinc/18/32/31/506183231.db2.gz DIPIECUXIOCIRP-CYBMUJFWSA-N 0 3 360.389 3.376 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418228915 500253034 /nfs/dbraw/zinc/25/30/34/500253034.db2.gz FRPLXWLRVRWBCQ-UGSOOPFHSA-N 0 3 356.426 3.217 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000423658162 500392445 /nfs/dbraw/zinc/39/24/45/500392445.db2.gz XCUYMIWBBXIKMO-UHFFFAOYSA-N 0 3 359.357 3.031 20 5 FGBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427604825 500410747 /nfs/dbraw/zinc/41/07/47/500410747.db2.gz SOSVBTHNDDZFPA-QWRGUYRKSA-N 0 3 359.348 3.103 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccnc3c2cccc3[N+](=O)[O-])ccn1 ZINC000432326531 500499693 /nfs/dbraw/zinc/49/96/93/500499693.db2.gz PWNAFHRYFBRBKF-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000573462797 506199367 /nfs/dbraw/zinc/19/93/67/506199367.db2.gz AQONXHCKHLRMEF-UHFFFAOYSA-N 0 3 355.438 3.250 20 5 FGBDHN COc1ccc(OC)c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529233 500617769 /nfs/dbraw/zinc/61/77/69/500617769.db2.gz KYDZNUHPIVOMKV-HZPDHXFCSA-N 0 3 360.414 3.082 20 5 FGBDHN CCOc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1OC ZINC000447532021 500618974 /nfs/dbraw/zinc/61/89/74/500618974.db2.gz UGVKTKYTCOFRLN-CVEARBPZSA-N 0 3 374.441 3.472 20 5 FGBDHN Cc1c(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000570626462 506207467 /nfs/dbraw/zinc/20/74/67/506207467.db2.gz OUGASBQAUDSJHS-WIYYLYMNSA-N 0 3 370.449 3.448 20 5 FGBDHN COc1ccc(CNCC2(CO)CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000433187003 500641882 /nfs/dbraw/zinc/64/18/82/500641882.db2.gz MLEDCCGVCQTRSK-UHFFFAOYSA-N 0 3 356.422 3.249 20 5 FGBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000438286227 500763469 /nfs/dbraw/zinc/76/34/69/500763469.db2.gz SQRCEVLQNJQXQP-HNNXBMFYSA-N 0 3 373.453 3.132 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cs1 ZINC000443999369 500790013 /nfs/dbraw/zinc/79/00/13/500790013.db2.gz BCUHUTSECYFEGI-JTQLQIEISA-N 0 3 360.357 3.014 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784588 500833384 /nfs/dbraw/zinc/83/33/84/500833384.db2.gz XDSUQHRZBQPOIP-RYUDHWBXSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000434494049 500851672 /nfs/dbraw/zinc/85/16/72/500851672.db2.gz WOICZLJOQGPSAN-GOSISDBHSA-N 0 3 374.412 3.295 20 5 FGBDHN Cc1ccc([C@@]2(C)CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748192 500888891 /nfs/dbraw/zinc/88/88/91/500888891.db2.gz NZLSISWFHCRUBZ-RXVVDRJESA-N 0 3 370.449 3.307 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000449238590 500955298 /nfs/dbraw/zinc/95/52/98/500955298.db2.gz GWBDRWITTXXZKS-MLGOLLRUSA-N 0 3 361.829 3.386 20 5 FGBDHN COCCn1cc2c(n1)[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449243408 500955677 /nfs/dbraw/zinc/95/56/77/500955677.db2.gz KNYMHHKGKRTKTB-YOEHRIQHSA-N 0 3 358.442 3.036 20 5 FGBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000582447938 506227434 /nfs/dbraw/zinc/22/74/34/506227434.db2.gz KWZJFOZNJLMEDB-LJQANCHMSA-N 0 3 354.454 3.476 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](c1nccn1C)C1CCOCC1 ZINC000449315750 500974885 /nfs/dbraw/zinc/97/48/85/500974885.db2.gz JODRLWIHVURGRB-KDOFPFPSSA-N 0 3 358.442 3.017 20 5 FGBDHN COc1cc(C[NH2+]CCc2cn(C)c3cc(C)ccc23)c([N+](=O)[O-])cc1[O-] ZINC000436416863 501123572 /nfs/dbraw/zinc/12/35/72/501123572.db2.gz YWZFXALRQIXEAS-UHFFFAOYSA-N 0 3 369.421 3.441 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000449988282 501146946 /nfs/dbraw/zinc/14/69/46/501146946.db2.gz SBTXWZDXKJGVJS-PWSUYJOCSA-N 0 3 359.348 3.168 20 5 FGBDHN Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000436727388 501198139 /nfs/dbraw/zinc/19/81/39/501198139.db2.gz ZDMWCRMHNOGVLE-QGZVFWFLSA-N 0 3 353.422 3.426 20 5 FGBDHN COC(=O)Cc1ccc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000450211699 501211089 /nfs/dbraw/zinc/21/10/89/501211089.db2.gz AYMGSNAHDQFDKC-HNNXBMFYSA-N 0 3 363.439 3.087 20 5 FGBDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000436831902 501218424 /nfs/dbraw/zinc/21/84/24/501218424.db2.gz UNCJJPOSMVEKHR-CQSZACIVSA-N 0 3 369.421 3.256 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451477623 501301459 /nfs/dbraw/zinc/30/14/59/501301459.db2.gz HXAZNZBSVTWBOJ-GJZGRUSLSA-N 0 3 367.833 3.124 20 5 FGBDHN Cn1cc(-c2cc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cn1 ZINC000451553631 501322019 /nfs/dbraw/zinc/32/20/19/501322019.db2.gz YFGPNLDOBBLUCB-HNNXBMFYSA-N 0 3 367.409 3.363 20 5 FGBDHN CN(C)[C@@]1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCSC1 ZINC000582490160 506250882 /nfs/dbraw/zinc/25/08/82/506250882.db2.gz UGWQNKUDLJYVNS-ZIAGYGMSSA-N 0 3 363.405 3.225 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456344759 501504578 /nfs/dbraw/zinc/50/45/78/501504578.db2.gz RWGYCKJLNSSJRQ-INIZCTEOSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000452571150 501524547 /nfs/dbraw/zinc/52/45/47/501524547.db2.gz NNFCDHHLBHJANO-CQSZACIVSA-N 0 3 359.470 3.449 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452772997 501560080 /nfs/dbraw/zinc/56/00/80/501560080.db2.gz LDVNAJOUXQSDEI-ZDUSSCGKSA-N 0 3 369.412 3.042 20 5 FGBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454727216 501616634 /nfs/dbraw/zinc/61/66/34/501616634.db2.gz OUMNCUNATNGTAG-JVPBZIDWSA-N 0 3 368.437 3.400 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)CCCc1cccnc1 ZINC000459642826 501691639 /nfs/dbraw/zinc/69/16/39/501691639.db2.gz NUSHPXAKSPUJES-HNNXBMFYSA-N 0 3 356.426 3.238 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459651088 501693406 /nfs/dbraw/zinc/69/34/06/501693406.db2.gz YLRXZFYHSDDZBV-HUUCEWRRSA-N 0 3 356.426 3.318 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459702393 501701380 /nfs/dbraw/zinc/70/13/80/501701380.db2.gz ORUGGBQIMNOXPU-XQAQDONZSA-N 0 3 362.451 3.450 20 5 FGBDHN COc1cc(CN[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000459787834 501714033 /nfs/dbraw/zinc/71/40/33/501714033.db2.gz QBCVZNZHDVXWBU-LSDHHAIUSA-N 0 3 372.368 3.252 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474234640 501754788 /nfs/dbraw/zinc/75/47/88/501754788.db2.gz UJBYTWXONQPWCK-IBGZPJMESA-N 0 3 355.438 3.310 20 5 FGBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cccs1 ZINC000474344969 501798159 /nfs/dbraw/zinc/79/81/59/501798159.db2.gz FCHWZXXJJQFNIK-CYBMUJFWSA-N 0 3 364.423 3.449 20 5 FGBDHN C[C@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000477924289 501830255 /nfs/dbraw/zinc/83/02/55/501830255.db2.gz YVXKRXWJUGNHDH-JSGCOSHPSA-N 0 3 350.365 3.375 20 5 FGBDHN COc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000474440033 501837729 /nfs/dbraw/zinc/83/77/29/501837729.db2.gz PWXCKNFLDSIUEX-ACJLOTCBSA-N 0 3 372.425 3.416 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC(N2CCCCC2)C1 ZINC000477966575 501843324 /nfs/dbraw/zinc/84/33/24/501843324.db2.gz OIUMHBMLUGUFEC-UHFFFAOYSA-N 0 3 351.834 3.303 20 5 FGBDHN CC(C)c1ccc(CN2CCC(CCO)(CCO)CC2)cc1[N+](=O)[O-] ZINC000602730654 506277070 /nfs/dbraw/zinc/27/70/70/506277070.db2.gz DCXIJGBSJTYJTO-UHFFFAOYSA-N 0 3 350.459 3.065 20 5 FGBDHN O=C(CCCNCc1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc21 ZINC000478247214 501921125 /nfs/dbraw/zinc/92/11/25/501921125.db2.gz CVHFBHGLQXETPT-UHFFFAOYSA-N 0 3 357.385 3.193 20 5 FGBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cc(F)cc(Br)c1 ZINC000485806269 501945694 /nfs/dbraw/zinc/94/56/94/501945694.db2.gz OFXCFDCGNQCYLR-ZDUSSCGKSA-N 0 3 371.210 3.434 20 5 FGBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2CC(C)C)cc([N+](=O)[O-])c1C ZINC000478345992 501951104 /nfs/dbraw/zinc/95/11/04/501951104.db2.gz RBTMVHVDSDQAOR-INIZCTEOSA-N 0 3 363.458 3.152 20 5 FGBDHN CC[C@H](N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482036309 501954727 /nfs/dbraw/zinc/95/47/27/501954727.db2.gz DNNPPJQTMJBDNB-BEFAXECRSA-N 0 3 369.421 3.450 20 5 FGBDHN CCc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471390861 502007998 /nfs/dbraw/zinc/00/79/98/502007998.db2.gz PFTATXFVDNLIPJ-GOSISDBHSA-N 0 3 355.438 3.060 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468458294 502063124 /nfs/dbraw/zinc/06/31/24/502063124.db2.gz IEFNXCWRACVKCR-XJKSGUPXSA-N 0 3 365.499 3.312 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468470123 502068017 /nfs/dbraw/zinc/06/80/17/502068017.db2.gz OUIXUIGARFNABG-CQSZACIVSA-N 0 3 371.384 3.046 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CCO)C3CCOCC3)o2)cc1 ZINC000461425964 502109785 /nfs/dbraw/zinc/10/97/85/502109785.db2.gz OLWQAVUPVFAOGU-GOSISDBHSA-N 0 3 360.410 3.122 20 5 FGBDHN Cc1cc(NC[C@H](O)CN2CCCCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461789085 502201297 /nfs/dbraw/zinc/20/12/97/502201297.db2.gz ZLNKMWPKBKVJEB-LBPRGKRZSA-N 0 3 361.364 3.181 20 5 FGBDHN Cc1cc(N2CC[C@H](OCCN3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461953039 502250661 /nfs/dbraw/zinc/25/06/61/502250661.db2.gz HDVARBQKHBLLCX-HNNXBMFYSA-N 0 3 351.422 3.124 20 5 FGBDHN Cc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461963259 502255173 /nfs/dbraw/zinc/25/51/73/502255173.db2.gz HOVFSDSASQMNAO-HXUWFJFHSA-N 0 3 373.428 3.116 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475725707 502266644 /nfs/dbraw/zinc/26/66/44/502266644.db2.gz OQMBXEOYLYFFKB-HNNXBMFYSA-N 0 3 350.415 3.015 20 5 FGBDHN COc1cc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596194388 506303471 /nfs/dbraw/zinc/30/34/71/506303471.db2.gz FBWNHANSHUVSBE-HOCLYGCPSA-N 0 3 371.890 3.273 20 5 FGBDHN COC(=O)C1(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000486913604 502302139 /nfs/dbraw/zinc/30/21/39/502302139.db2.gz NHUMETWJSLOTKU-UHFFFAOYSA-N 0 3 369.421 3.406 20 5 FGBDHN CCCc1[nH]nc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1[N+](=O)[O-] ZINC000475994941 502352927 /nfs/dbraw/zinc/35/29/27/502352927.db2.gz FIOIVRJNFRZXKF-UHFFFAOYSA-N 0 3 356.386 3.049 20 5 FGBDHN C[C@@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428193 502388704 /nfs/dbraw/zinc/38/87/04/502388704.db2.gz CBBVYIJDNNWGEF-FXAWDEMLSA-N 0 3 374.412 3.137 20 5 FGBDHN C[C@@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462496185 502465031 /nfs/dbraw/zinc/46/50/31/502465031.db2.gz SPVRVOODSQSQGC-OAHLLOKOSA-N 0 3 356.426 3.099 20 5 FGBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462502540 502467299 /nfs/dbraw/zinc/46/72/99/502467299.db2.gz OTJVJIYAWVIVJD-UHFFFAOYSA-N 0 3 356.426 3.101 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302241 502532341 /nfs/dbraw/zinc/53/23/41/502532341.db2.gz DFYKEOVGEIEQNN-CJNGLKHVSA-N 0 3 357.385 3.299 20 5 FGBDHN COC(=O)c1c(Cl)c(N2C[C@H](N3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596230432 506322423 /nfs/dbraw/zinc/32/24/23/506322423.db2.gz AXIGQJUCXCPOSE-VXGBXAGGSA-N 0 3 367.833 3.098 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596233172 506321955 /nfs/dbraw/zinc/32/19/55/506321955.db2.gz ZDPFTEFZYJODLF-RYUDHWBXSA-N 0 3 367.833 3.098 20 5 FGBDHN COC[C@@H](CCO)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484165823 502590470 /nfs/dbraw/zinc/59/04/70/502590470.db2.gz VEYLPYVKFYXCQU-CHWSQXEVSA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000484266813 502611824 /nfs/dbraw/zinc/61/18/24/502611824.db2.gz UDJNHMSVXXYTGO-FRRDWIJNSA-N 0 3 353.850 3.168 20 5 FGBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000488091120 502624851 /nfs/dbraw/zinc/62/48/51/502624851.db2.gz PKEOVGXQFDTLJQ-MRXNPFEDSA-N 0 3 370.453 3.224 20 5 FGBDHN CCC1CCC(N(CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000488180325 502649788 /nfs/dbraw/zinc/64/97/88/502649788.db2.gz DOENBHHZDNPZDK-UHFFFAOYSA-N 0 3 364.442 3.224 20 5 FGBDHN CS[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000484653198 502697639 /nfs/dbraw/zinc/69/76/39/502697639.db2.gz OULVLZHAGRHBSQ-HOTGVXAUSA-N 0 3 355.891 3.260 20 5 FGBDHN CS[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000484653203 502697841 /nfs/dbraw/zinc/69/78/41/502697841.db2.gz OULVLZHAGRHBSQ-JKSUJKDBSA-N 0 3 355.891 3.260 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1CCCCC1 ZINC000504911827 502822415 /nfs/dbraw/zinc/82/24/15/502822415.db2.gz MGVLJTUPIVCXHR-CABCVRRESA-N 0 3 365.499 3.456 20 5 FGBDHN CN(CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000509277072 502865681 /nfs/dbraw/zinc/86/56/81/502865681.db2.gz RGDYEVRAOGZYJM-UHFFFAOYSA-N 0 3 368.481 3.239 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489135909 502885944 /nfs/dbraw/zinc/88/59/44/502885944.db2.gz JBFZSSVQZUXXRS-HNNXBMFYSA-N 0 3 362.474 3.394 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599147042 506346038 /nfs/dbraw/zinc/34/60/38/506346038.db2.gz KDJAVJMRKDBQQX-KRWDZBQOSA-N 0 3 360.458 3.143 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(C)C)C2(CO)CCCC2)c1 ZINC000593033607 506348974 /nfs/dbraw/zinc/34/89/74/506348974.db2.gz XIYZMJZUBIQYIY-KRWDZBQOSA-N 0 3 364.442 3.048 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514227840 503118709 /nfs/dbraw/zinc/11/87/09/503118709.db2.gz WDEJADAZMDVFOC-RYUDHWBXSA-N 0 3 371.384 3.189 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164099 506354465 /nfs/dbraw/zinc/35/44/65/506354465.db2.gz JPQXUIQGEPDRHL-INIZCTEOSA-N 0 3 360.458 3.162 20 5 FGBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1N(C)C ZINC000502159036 503152918 /nfs/dbraw/zinc/15/29/18/503152918.db2.gz KOZHJCSOOIQRCE-CVEARBPZSA-N 0 3 358.467 3.139 20 5 FGBDHN Cc1ccc(C)c(OC[C@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511061035 503245237 /nfs/dbraw/zinc/24/52/37/503245237.db2.gz WYRXSZKDOCPDDD-GOSISDBHSA-N 0 3 358.438 3.126 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(c2ccco2)C1 ZINC000511121974 503261405 /nfs/dbraw/zinc/26/14/05/503261405.db2.gz GVWYYVMDNVOHPJ-UHFFFAOYSA-N 0 3 371.393 3.314 20 5 FGBDHN CCN1C[C@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926442 503295805 /nfs/dbraw/zinc/29/58/05/503295805.db2.gz CDFHVPZQCAQTBD-CABCVRRESA-N 0 3 358.442 3.207 20 5 FGBDHN CC(C)N1CCN(c2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000502898869 503303144 /nfs/dbraw/zinc/30/31/44/503303144.db2.gz JKIWRLFOWIDFDG-UHFFFAOYSA-N 0 3 374.466 3.439 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515744993 503394375 /nfs/dbraw/zinc/39/43/75/503394375.db2.gz WCJCOHFMLZFWHX-MJGOQNOKSA-N 0 3 374.412 3.181 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503403213 503401135 /nfs/dbraw/zinc/40/11/35/503401135.db2.gz CUZTXAITJHOEAV-INIZCTEOSA-N 0 3 370.453 3.386 20 5 FGBDHN Cc1cccc(C)c1OC[C@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516048765 503436582 /nfs/dbraw/zinc/43/65/82/503436582.db2.gz NUDAKURKKLKIQQ-DLBZAZTESA-N 0 3 374.437 3.008 20 5 FGBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000503586204 503441819 /nfs/dbraw/zinc/44/18/19/503441819.db2.gz IWLGOGWYGSXVCK-LBPRGKRZSA-N 0 3 372.263 3.270 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000499713095 503464176 /nfs/dbraw/zinc/46/41/76/503464176.db2.gz NLMRVDAPZPONBD-LSDHHAIUSA-N 0 3 365.499 3.456 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000494026267 503476411 /nfs/dbraw/zinc/47/64/11/503476411.db2.gz HTTRPCMEZDOKMY-LIRRHRJNSA-N 0 3 371.412 3.056 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3c[nH]c4ccc(F)cc43)CC2)n1 ZINC000516501219 503521905 /nfs/dbraw/zinc/52/19/05/503521905.db2.gz DYBKKIBENNFCJU-UHFFFAOYSA-N 0 3 357.389 3.291 20 5 FGBDHN COc1ccc([C@@H](OC)[C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000540067430 503660538 /nfs/dbraw/zinc/66/05/38/503660538.db2.gz ZDWSBPUGVQOEDH-YJYMSZOUSA-N 0 3 360.410 3.478 20 5 FGBDHN C[C@@]1(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000543185249 503665721 /nfs/dbraw/zinc/66/57/21/503665721.db2.gz WWPPBVSXJRLKPF-LJQANCHMSA-N 0 3 374.462 3.210 20 5 FGBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000543455990 503778037 /nfs/dbraw/zinc/77/80/37/503778037.db2.gz LRTRXEUJNGZKEX-AWEZNQCLSA-N 0 3 359.430 3.015 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)cc1 ZINC000537312064 503876676 /nfs/dbraw/zinc/87/66/76/503876676.db2.gz SCFWDWWFMBZLGB-ZDUSSCGKSA-N 0 3 352.793 3.328 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000540811177 503901256 /nfs/dbraw/zinc/90/12/56/503901256.db2.gz KDMSWJPAUJRSIK-OAHLLOKOSA-N 0 3 350.415 3.003 20 5 FGBDHN Cc1cc(N(C)[C@H]2CCN(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533783698 503950501 /nfs/dbraw/zinc/95/05/01/503950501.db2.gz XJGIOEBHVQJQOD-KRWDZBQOSA-N 0 3 353.426 3.033 20 5 FGBDHN COc1ccc(-c2ccc(CN(C)C[C@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000537708853 504013563 /nfs/dbraw/zinc/01/35/63/504013563.db2.gz AWBXXASLYFUDBF-FZKQIMNGSA-N 0 3 360.410 3.456 20 5 FGBDHN C[C@H](C[S@](C)=O)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000544168541 504033273 /nfs/dbraw/zinc/03/32/73/504033273.db2.gz ZQOGICXRJUQEFZ-PWECECGKSA-N 0 3 361.467 3.219 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000538279629 504186548 /nfs/dbraw/zinc/18/65/48/504186548.db2.gz OGQSMVGJANPPGO-GOSISDBHSA-N 0 3 373.457 3.342 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000538279631 504186625 /nfs/dbraw/zinc/18/66/25/504186625.db2.gz OGQSMVGJANPPGO-SFHVURJKSA-N 0 3 373.457 3.342 20 5 FGBDHN CN(C)Cc1ccc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000531109670 504192496 /nfs/dbraw/zinc/19/24/96/504192496.db2.gz MKLMZOWBDAGYEH-UHFFFAOYSA-N 0 3 367.409 3.343 20 5 FGBDHN COc1cc(CN[C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541649180 504210337 /nfs/dbraw/zinc/21/03/37/504210337.db2.gz JUTALHAAAIRKDQ-NEPJUHHUSA-N 0 3 374.384 3.152 20 5 FGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000541687281 504221181 /nfs/dbraw/zinc/22/11/81/504221181.db2.gz SCRGJLAYUWMHJX-JMERFSKESA-N 0 3 355.394 3.076 20 5 FGBDHN C[C@H]1CC(C)(C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541739669 504238663 /nfs/dbraw/zinc/23/86/63/504238663.db2.gz AFVSPMMYQQQCLK-BBRMVZONSA-N 0 3 354.472 3.173 20 5 FGBDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541739670 504239340 /nfs/dbraw/zinc/23/93/40/504239340.db2.gz AFVSPMMYQQQCLK-CJNGLKHVSA-N 0 3 354.472 3.173 20 5 FGBDHN NC(=O)[C@@H](CNC/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000541764196 504246708 /nfs/dbraw/zinc/24/67/08/504246708.db2.gz SSOLBLPTLJFMKH-CDVVCGDMSA-N 0 3 373.840 3.195 20 5 FGBDHN CCc1ccc([C@@H](CO)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000541981921 504322380 /nfs/dbraw/zinc/32/23/80/504322380.db2.gz ZKCQCCFMINVDAZ-LJQANCHMSA-N 0 3 371.437 3.117 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000519755557 504328887 /nfs/dbraw/zinc/32/88/87/504328887.db2.gz OBIQXLMZCLPONH-GOEBONIOSA-N 0 3 362.813 3.265 20 5 FGBDHN O=C1C[C@@]2(CN1)CCCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000538738188 504351925 /nfs/dbraw/zinc/35/19/25/504351925.db2.gz DYQFCKWHJZMWDQ-LJQANCHMSA-N 0 3 371.462 3.425 20 5 FGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000545163222 504381332 /nfs/dbraw/zinc/38/13/32/504381332.db2.gz BYDIVEKCNGCBSF-KBPBESRZSA-N 0 3 365.449 3.248 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)COC2 ZINC000542162520 504386744 /nfs/dbraw/zinc/38/67/44/504386744.db2.gz JJODQUXPIMDNOL-ZDUSSCGKSA-N 0 3 355.394 3.132 20 5 FGBDHN CN(C)Cc1cccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000520467616 504507088 /nfs/dbraw/zinc/50/70/88/504507088.db2.gz XAVPWDXKDHABBA-UHFFFAOYSA-N 0 3 366.421 3.110 20 5 FGBDHN COc1cc(CNCCc2ccc(F)c(F)c2F)c([N+](=O)[O-])cc1OC ZINC000542484096 504509273 /nfs/dbraw/zinc/50/92/73/504509273.db2.gz YVCILIGXBZUUGZ-UHFFFAOYSA-N 0 3 370.327 3.362 20 5 FGBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000542523574 504524782 /nfs/dbraw/zinc/52/47/82/504524782.db2.gz HQIYPRVGZPAWKF-INIZCTEOSA-N 0 3 359.430 3.015 20 5 FGBDHN CC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000542527651 504527048 /nfs/dbraw/zinc/52/70/48/504527048.db2.gz WPTCKOFZTTVZKX-OAHLLOKOSA-N 0 3 373.457 3.323 20 5 FGBDHN CC(C)C[C@@H](C)C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665334 504569625 /nfs/dbraw/zinc/56/96/25/504569625.db2.gz CAHKPVAIAFZMAS-HUUCEWRRSA-N 0 3 356.488 3.419 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1Cn1cncn1 ZINC000548856007 504593644 /nfs/dbraw/zinc/59/36/44/504593644.db2.gz NXJVRQYQCLESRW-OAHLLOKOSA-N 0 3 351.410 3.394 20 5 FGBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520976610 504621367 /nfs/dbraw/zinc/62/13/67/504621367.db2.gz KBKAMCNLEFFTAA-GOSISDBHSA-N 0 3 357.385 3.301 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000521425971 504734033 /nfs/dbraw/zinc/73/40/33/504734033.db2.gz VGZWCIQYXSCJOT-IEBWSBKVSA-N 0 3 374.412 3.181 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000543141006 504740001 /nfs/dbraw/zinc/74/00/01/504740001.db2.gz AZPMKLAYUFAJIF-ZWKOTPCHSA-N 0 3 374.412 3.181 20 5 FGBDHN CN(C)Cc1ccccc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562367692 504796924 /nfs/dbraw/zinc/79/69/24/504796924.db2.gz BDZIYSSYEUGOOU-UHFFFAOYSA-N 0 3 366.421 3.110 20 5 FGBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCN(CC2CCC2)CC1 ZINC000559256552 504810201 /nfs/dbraw/zinc/81/02/01/504810201.db2.gz SMXYEHZMJAIRKL-UHFFFAOYSA-N 0 3 356.426 3.024 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(-c3ccccc3)o2)c1 ZINC000549805039 504902606 /nfs/dbraw/zinc/90/26/06/504902606.db2.gz CHLUCGHZODLLRH-QGZVFWFLSA-N 0 3 368.389 3.384 20 5 FGBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000560489153 505102231 /nfs/dbraw/zinc/10/22/31/505102231.db2.gz JPCRBCCVKAAXKA-UHFFFAOYSA-N 0 3 362.389 3.105 20 5 FGBDHN CNC(=O)[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1C ZINC000566222269 505117289 /nfs/dbraw/zinc/11/72/89/505117289.db2.gz UDHYNBXOKYSWTP-RHSMWYFYSA-N 0 3 373.428 3.298 20 5 FGBDHN CC(C)(C(=O)N1CCCN(C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000550969435 505133219 /nfs/dbraw/zinc/13/32/19/505133219.db2.gz VXNCIRZGFGGXLJ-UHFFFAOYSA-N 0 3 359.470 3.349 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000560584812 505134105 /nfs/dbraw/zinc/13/41/05/505134105.db2.gz KXTGHRDVYRTHTN-HNNXBMFYSA-N 0 3 371.437 3.219 20 5 FGBDHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000551269180 505190071 /nfs/dbraw/zinc/19/00/71/505190071.db2.gz XRRRPKGEOYSYHW-FZKQIMNGSA-N 0 3 362.426 3.102 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000566502109 505190637 /nfs/dbraw/zinc/19/06/37/505190637.db2.gz XSPDNGASCFPUQX-CVEARBPZSA-N 0 3 361.442 3.017 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000551418436 505221592 /nfs/dbraw/zinc/22/15/92/505221592.db2.gz DIJAFUPFSWOPHS-KSSFIOAISA-N 0 3 372.421 3.113 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000561076426 505244345 /nfs/dbraw/zinc/24/43/45/505244345.db2.gz OMZHNLNCCKMMFH-HOTGVXAUSA-N 0 3 374.485 3.188 20 5 FGBDHN C[C@@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000563963410 505290012 /nfs/dbraw/zinc/29/00/12/505290012.db2.gz LTHCBTQVFBORJJ-HXUWFJFHSA-N 0 3 368.437 3.059 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561546484 505374467 /nfs/dbraw/zinc/37/44/67/505374467.db2.gz PYWLDSXJTCETNT-IYBDPMFKSA-N 0 3 362.474 3.042 20 5 FGBDHN CC(C)[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000552040477 505378361 /nfs/dbraw/zinc/37/83/61/505378361.db2.gz PBQOZVUOWAZSSR-RTBURBONSA-N 0 3 371.485 3.128 20 5 FGBDHN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000552045025 505380372 /nfs/dbraw/zinc/38/03/72/505380372.db2.gz WLHZEESVYXUMFB-LPHOPBHVSA-N 0 3 371.485 3.128 20 5 FGBDHN C[C@H]1[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000558461094 505396566 /nfs/dbraw/zinc/39/65/66/505396566.db2.gz FPHJALAKTMTORN-KXBFYZLASA-N 0 3 368.437 3.057 20 5 FGBDHN CCc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000552112499 505403726 /nfs/dbraw/zinc/40/37/26/505403726.db2.gz GIBSFXXBISIWTO-UHFFFAOYSA-N 0 3 370.453 3.146 20 5 FGBDHN CN(CCOCC(F)(F)C(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000558733160 505477448 /nfs/dbraw/zinc/47/74/48/505477448.db2.gz VSELCJCDOHQILN-UHFFFAOYSA-N 0 3 356.291 3.283 20 5 FGBDHN C[C@H](CC1CCCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567699576 505541221 /nfs/dbraw/zinc/54/12/21/505541221.db2.gz TWLLFGXQSVMMAZ-CQSZACIVSA-N 0 3 354.472 3.317 20 5 FGBDHN CC[C@H](C)Oc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000564871837 505545164 /nfs/dbraw/zinc/54/51/64/505545164.db2.gz GDCQADFABRMAMS-AWEZNQCLSA-N 0 3 372.425 3.286 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C(C)(C)C)C1=O ZINC000564965663 505564032 /nfs/dbraw/zinc/56/40/32/505564032.db2.gz SWNBQPLMMWHVDL-KGLIPLIRSA-N 0 3 365.499 3.455 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Oc2cccnc2)cc1 ZINC000588971898 506399894 /nfs/dbraw/zinc/39/98/94/506399894.db2.gz NJERVRONRGPRQF-AWEZNQCLSA-N 0 3 353.382 3.329 20 5 FGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593162461 506432810 /nfs/dbraw/zinc/43/28/10/506432810.db2.gz ODPMZIHJIMZSOQ-QGZVFWFLSA-N 0 3 371.412 3.186 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512575 506480032 /nfs/dbraw/zinc/48/00/32/506480032.db2.gz KRJWSPGTSDWJOE-TXEJJXNPSA-N 0 3 371.384 3.155 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2CN)c1 ZINC000582966594 506513688 /nfs/dbraw/zinc/51/36/88/506513688.db2.gz NWWOKCQNLZYJLN-QGZVFWFLSA-N 0 3 357.435 3.015 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000582985315 506523326 /nfs/dbraw/zinc/52/33/26/506523326.db2.gz DHWDEIIQPKEHIP-QGZVFWFLSA-N 0 3 373.457 3.377 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599656786 506558907 /nfs/dbraw/zinc/55/89/07/506558907.db2.gz IVUVXSBYMMJKSL-KURKYZTESA-N 0 3 362.426 3.027 20 5 FGBDHN CCO[C@H]1C[C@@H](NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCC2 ZINC000589506610 506572380 /nfs/dbraw/zinc/57/23/80/506572380.db2.gz JEIOXUCKMSYUET-SJORKVTESA-N 0 3 362.426 3.209 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCC3(CCCC3)CC2)cc1 ZINC000583136528 506609830 /nfs/dbraw/zinc/60/98/30/506609830.db2.gz BOHDVUMCFOWMNS-UHFFFAOYSA-N 0 3 366.483 3.461 20 5 FGBDHN Cc1cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000593495768 506653411 /nfs/dbraw/zinc/65/34/11/506653411.db2.gz IIZAHVSVVFSHNV-NHCUHLMSSA-N 0 3 367.449 3.383 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c1 ZINC000593496367 506654023 /nfs/dbraw/zinc/65/40/23/506654023.db2.gz OXYZPXXEKHVWIG-NHCUHLMSSA-N 0 3 367.449 3.383 20 5 FGBDHN CC[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000612635257 506663104 /nfs/dbraw/zinc/66/31/04/506663104.db2.gz ZRTXFFQZDPGXKE-KSSFIOAISA-N 0 3 362.474 3.418 20 5 FGBDHN CC(C)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830077 506663982 /nfs/dbraw/zinc/66/39/82/506663982.db2.gz QBNZIKUITGNKJT-UHFFFAOYSA-N 0 3 357.414 3.091 20 5 FGBDHN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CCCC1 ZINC000599831618 506665151 /nfs/dbraw/zinc/66/51/51/506665151.db2.gz PYLTXVLZRAQVHS-UHFFFAOYSA-N 0 3 371.441 3.481 20 5 FGBDHN CN1CCC2(CCCN2C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599833743 506666321 /nfs/dbraw/zinc/66/63/21/506666321.db2.gz XXGAERJKDQNUTL-UHFFFAOYSA-N 0 3 369.425 3.235 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(C)c1 ZINC000604016082 506686860 /nfs/dbraw/zinc/68/68/60/506686860.db2.gz AMTXKDMVCMCICZ-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN(c3ccncc3)CC2)c1 ZINC000590162562 506754583 /nfs/dbraw/zinc/75/45/83/506754583.db2.gz QARKFYYUWIXPJR-UHFFFAOYSA-N 0 3 366.343 3.331 20 5 FGBDHN CN1CCC2(CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)C1=O ZINC000590178647 506759491 /nfs/dbraw/zinc/75/94/91/506759491.db2.gz SZCZUXPLWGZOOY-UHFFFAOYSA-N 0 3 371.359 3.058 20 5 FGBDHN COC[C@H](C)Oc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000597118958 506786163 /nfs/dbraw/zinc/78/61/63/506786163.db2.gz PTDOEIOXJRSXOQ-HNNXBMFYSA-N 0 3 374.441 3.042 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1 ZINC000609154071 506796281 /nfs/dbraw/zinc/79/62/81/506796281.db2.gz SQOAADFDZSWMPJ-LBPRGKRZSA-N 0 3 374.416 3.175 20 5 FGBDHN COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000604413065 506824552 /nfs/dbraw/zinc/82/45/52/506824552.db2.gz YFCAHVBNGIZCRM-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN O=C(CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCC1 ZINC000604415839 506826268 /nfs/dbraw/zinc/82/62/68/506826268.db2.gz GGPLYZKGPNMLGI-UHFFFAOYSA-N 0 3 359.470 3.298 20 5 FGBDHN O=C1CCCN1C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597229327 506847879 /nfs/dbraw/zinc/84/78/79/506847879.db2.gz QOEGODQMRYHFRR-OAHLLOKOSA-N 0 3 369.421 3.299 20 5 FGBDHN O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604504580 506854279 /nfs/dbraw/zinc/85/42/79/506854279.db2.gz NBJFCEPEOSBFMD-GOSISDBHSA-N 0 3 365.433 3.396 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600227723 506859979 /nfs/dbraw/zinc/85/99/79/506859979.db2.gz FGEQGPPNDJOPPL-OAHLLOKOSA-N 0 3 356.426 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ZINC000600786810 507121873 /nfs/dbraw/zinc/12/18/73/507121873.db2.gz UEUAUGYLCBWPQT-KPZWWZAWSA-N 0 3 356.378 3.098 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597858857 507137461 /nfs/dbraw/zinc/13/74/61/507137461.db2.gz PRHSDJQHEWTRMW-CYBMUJFWSA-N 0 3 351.472 3.309 20 5 FGBDHN CCOCc1ccccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584160099 507186294 /nfs/dbraw/zinc/18/62/94/507186294.db2.gz OWBZKLZIKXTICS-UHFFFAOYSA-N 0 3 357.410 3.250 20 5 FGBDHN CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(CC)C1 ZINC000598044208 507231213 /nfs/dbraw/zinc/23/12/13/507231213.db2.gz ZTOIXKMHWBPQCQ-OAHLLOKOSA-N 0 3 374.466 3.275 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279319 507319945 /nfs/dbraw/zinc/31/99/45/507319945.db2.gz DSSSEWLGQBOILR-RHSMWYFYSA-N 0 3 371.412 3.374 20 5 FGBDHN COc1ccc(-c2ccc(CNC[C@@H](CO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000594982830 507341145 /nfs/dbraw/zinc/34/11/45/507341145.db2.gz ILUBAMNXYBLSKS-AWEZNQCLSA-N 0 3 360.410 3.362 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598264924 507349735 /nfs/dbraw/zinc/34/97/35/507349735.db2.gz RRTYFAVLSGSDJA-GFCCVEGCSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccnc2N2CCCC2)n1 ZINC000595064798 507374305 /nfs/dbraw/zinc/37/43/05/507374305.db2.gz GNRLAZMJCQTKGB-IRXDYDNUSA-N 0 3 370.457 3.060 20 5 FGBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000610770806 507384231 /nfs/dbraw/zinc/38/42/31/507384231.db2.gz GRBMABGYZNNPOB-QGZVFWFLSA-N 0 3 366.421 3.442 20 5 FGBDHN O=C1N(CCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000595098599 507389864 /nfs/dbraw/zinc/38/98/64/507389864.db2.gz CAPIWJGCLNLRHA-MJGOQNOKSA-N 0 3 372.469 3.242 20 5 FGBDHN Cc1cc(C)n(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130307 507495407 /nfs/dbraw/zinc/49/54/07/507495407.db2.gz BBFAEOLFPZOPCG-WGSAOQKQSA-N 0 3 372.469 3.214 20 5 FGBDHN COc1ccc(OCCN2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000611090451 507512993 /nfs/dbraw/zinc/51/29/93/507512993.db2.gz WVTUKRURSKOLJP-UHFFFAOYSA-N 0 3 357.410 3.257 20 5 FGBDHN Cc1ccc(-c2nn(C)cc2CNCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000592363643 507619450 /nfs/dbraw/zinc/61/94/50/507619450.db2.gz ZZKNAWXTKRYFKO-UHFFFAOYSA-N 0 3 356.382 3.065 20 5 FGBDHN CC(C)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@]1(O)CCOC1 ZINC000592375644 507625046 /nfs/dbraw/zinc/62/50/46/507625046.db2.gz XZRHROHTBLVMEQ-IBGZPJMESA-N 0 3 360.410 3.122 20 5 FGBDHN CC(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595690934 507629595 /nfs/dbraw/zinc/62/95/95/507629595.db2.gz JGUSDVXFNTVPRW-LIRRHRJNSA-N 0 3 362.401 3.461 20 5 FGBDHN C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000611345885 507631576 /nfs/dbraw/zinc/63/15/76/507631576.db2.gz HOVJEOZQXNHSCU-KQHSUYLTSA-N 0 3 370.405 3.409 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395779 507661595 /nfs/dbraw/zinc/66/15/95/507661595.db2.gz UHRNUBQSZMYZCR-QUCCMNQESA-N 0 3 356.422 3.466 20 5 FGBDHN COc1cc(CN[C@@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000592534109 507699578 /nfs/dbraw/zinc/69/95/78/507699578.db2.gz XKSCGPWNTHVLFS-MWLCHTKSSA-N 0 3 362.398 3.231 20 5 FGBDHN COCCOC[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602487767 507724444 /nfs/dbraw/zinc/72/44/44/507724444.db2.gz UCJGSXSRLYEWBJ-GFCCVEGCSA-N 0 3 362.348 3.099 20 5 FGBDHN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000588104711 507763748 /nfs/dbraw/zinc/76/37/48/507763748.db2.gz XLKHYHNJWFCFSY-JKSUJKDBSA-N 0 3 362.474 3.042 20 5 FGBDHN C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736136731 598355852 /nfs/dbraw/zinc/35/58/52/598355852.db2.gz TXXMFZXNKMQQQS-BPJJOFIESA-N 0 3 350.382 3.139 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000116350018 700592983 /nfs/dbraw/zinc/59/29/83/700592983.db2.gz XBWJBAXLRKITGU-AWEZNQCLSA-N 0 3 359.813 3.423 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000610514939 714513090 /nfs/dbraw/zinc/51/30/90/714513090.db2.gz MEFBFPSHVKJFBL-UHFFFAOYSA-N 0 3 360.483 3.406 20 5 FGBDHN CNC(=O)C1(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCC1 ZINC000779176846 724397675 /nfs/dbraw/zinc/39/76/75/724397675.db2.gz RHSFGHYVAUDCAO-UHFFFAOYSA-N 0 3 359.451 3.472 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Br)cc2F)cc1 ZINC000754251444 722932697 /nfs/dbraw/zinc/93/26/97/722932697.db2.gz UINLRGZWOFCAKL-HNNXBMFYSA-N 0 3 369.190 3.320 20 5 FGBDHN C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)N1CCCCCC1 ZINC000733914249 722502313 /nfs/dbraw/zinc/50/23/13/722502313.db2.gz HIWVKSSBVRPULG-ZDUSSCGKSA-N 0 3 353.850 3.471 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000791004508 723204586 /nfs/dbraw/zinc/20/45/86/723204586.db2.gz KYIAYVQETFCJPJ-LBPRGKRZSA-N 0 3 370.783 3.467 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2cccs2)c1F ZINC000764607459 723429849 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FGBDHN CC(COC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)[N+](=O)[O-] ZINC000813115066 726840332 /nfs/dbraw/zinc/84/03/32/726840332.db2.gz JZEDSNDVNRVSTI-MEDUHNTESA-N 0 3 351.305 3.293 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000820309375 728983510 /nfs/dbraw/zinc/98/35/10/728983510.db2.gz SVOQETDVVBIHQL-CYBMUJFWSA-N 0 3 363.483 3.263 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1F ZINC000821986388 729137479 /nfs/dbraw/zinc/13/74/79/729137479.db2.gz RNNLPFPGOCEXAO-RYUDHWBXSA-N 0 3 355.385 3.174 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1F ZINC000824245839 729326671 /nfs/dbraw/zinc/32/66/71/729326671.db2.gz SAFGBWGJFIOZDF-GFCCVEGCSA-N 0 3 355.385 3.032 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000826734860 729413589 /nfs/dbraw/zinc/41/35/89/729413589.db2.gz UJZKAFOZEVJHIZ-OLZOCXBDSA-N 0 3 351.834 3.255 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000827649768 729432809 /nfs/dbraw/zinc/43/28/09/729432809.db2.gz KVHDAEWQQSNNIS-GFCCVEGCSA-N 0 3 355.385 3.176 20 5 FGBDHN Cc1nn(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1Cl ZINC000845875422 730905044 /nfs/dbraw/zinc/90/50/44/730905044.db2.gz MNYYHVWNHOMPQG-BDJLRTHQSA-N 0 3 369.780 3.242 20 5 FGBDHN Cc1csc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845878638 730905394 /nfs/dbraw/zinc/90/53/94/730905394.db2.gz HWVWVGUGKHOUPI-MEDUHNTESA-N 0 3 352.387 3.473 20 5 FGBDHN CC([C@@H](OC(=O)c1nc2c(s1)CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876459 730905397 /nfs/dbraw/zinc/90/53/97/730905397.db2.gz FPZUAXBFGLCWCC-YMTOWFKASA-N 0 3 350.371 3.334 20 5 FGBDHN CC(=O)[C@@H]1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1(C)C ZINC000845877492 730905411 /nfs/dbraw/zinc/90/54/11/730905411.db2.gz PXSRNNGVBNWGBI-FTOGJNOLSA-N 0 3 351.374 3.327 20 5 FGBDHN Cc1cnc(CCCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845883472 730906103 /nfs/dbraw/zinc/90/61/03/730906103.db2.gz TUGQBFQDEJAFBT-PXAZEXFGSA-N 0 3 350.346 3.395 20 5 FGBDHN COc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1Cl ZINC000845882661 730906143 /nfs/dbraw/zinc/90/61/43/730906143.db2.gz PKKMMUQFIMIEAQ-LKFCYVNXSA-N 0 3 368.748 3.446 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254748 731040312 /nfs/dbraw/zinc/04/03/12/731040312.db2.gz HIKZCEBSWWBJMY-CABCVRRESA-N 0 3 351.834 3.303 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC(C)(C)N2CCCCC2)c1F ZINC000854247952 731808165 /nfs/dbraw/zinc/80/81/65/731808165.db2.gz LEYRGOVUMUHOIP-UHFFFAOYSA-N 0 3 355.385 3.176 20 5 FGBDHN Cc1ccc(CN[C@@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000866538539 733362906 /nfs/dbraw/zinc/36/29/06/733362906.db2.gz BXDASVAPHIIIMV-LBPRGKRZSA-N 0 3 362.817 3.459 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000872050093 735581585 /nfs/dbraw/zinc/58/15/85/735581585.db2.gz WXJGHRUVCRFQRF-SGMGOOAPSA-N 0 3 372.512 3.323 20 5 FGBDHN CC([C@H](OC(=O)Cc1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000873544059 735775841 /nfs/dbraw/zinc/77/58/41/735775841.db2.gz BJWHSLNVMNYAMW-QFYYESIMSA-N 0 3 352.749 3.366 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1n[nH]c(CSC)n1 ZINC000886756014 739292201 /nfs/dbraw/zinc/29/22/01/739292201.db2.gz ZUWAMMYXOMMPAQ-NSHDSACASA-N 0 3 367.500 3.236 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nc(CSC)n[nH]1 ZINC000886756014 739292202 /nfs/dbraw/zinc/29/22/02/739292202.db2.gz ZUWAMMYXOMMPAQ-NSHDSACASA-N 0 3 367.500 3.236 20 5 FGBDHN CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000893402957 742149744 /nfs/dbraw/zinc/14/97/44/742149744.db2.gz WIFZEKXUWCTSGH-ZBFHGGJFSA-N 0 3 352.431 3.382 20 5 FGBDHN COc1cc(CNCCc2ccns2)c([N+](=O)[O-])cc1OCC(F)F ZINC000895529145 742422237 /nfs/dbraw/zinc/42/22/37/742422237.db2.gz GZCPCKBLJLDLMI-UHFFFAOYSA-N 0 3 373.381 3.036 20 5 FGBDHN COc1c([O-])ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1[N+](=O)[O-] ZINC000895771165 742452734 /nfs/dbraw/zinc/45/27/34/742452734.db2.gz IULSNKTYNJIRIC-HNNXBMFYSA-N 0 3 350.415 3.138 20 5 FGBDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000922538274 758946315 /nfs/dbraw/zinc/94/63/15/758946315.db2.gz MPYSWTSFGYQVCW-ZIAGYGMSSA-N 0 3 354.472 3.499 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927036590 759879637 /nfs/dbraw/zinc/87/96/37/759879637.db2.gz DFDWXRLXCHWWRU-WDFAYWTNSA-N 0 3 370.496 3.076 20 5 FGBDHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000023738795 211395325 /nfs/dbraw/zinc/39/53/25/211395325.db2.gz DVTGYMQIFQEORI-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCCNCC1 ZINC000579967005 505653830 /nfs/dbraw/zinc/65/38/30/505653830.db2.gz JFRSFXLSUNBYNK-UHFFFAOYSA-N 0 3 357.435 3.182 20 5 FGBDHN Cc1ccccc1[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000574033287 505678175 /nfs/dbraw/zinc/67/81/75/505678175.db2.gz KZINXUGBQWJJHF-WKILWMFISA-N 0 3 374.462 3.213 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)N1CCCC1 ZINC000057615746 493777900 /nfs/dbraw/zinc/77/79/00/493777900.db2.gz OCAPQEFEKVLYKJ-LJQANCHMSA-N 0 3 353.422 3.091 20 5 FGBDHN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000080969133 493804040 /nfs/dbraw/zinc/80/40/40/493804040.db2.gz DTKIFDKDQHBIBO-UHFFFAOYSA-N 0 3 360.483 3.190 20 5 FGBDHN NC(=O)c1ccc(NCC2CCN(Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000057854816 493809719 /nfs/dbraw/zinc/80/97/19/493809719.db2.gz RQOJQFKPAHQHJF-UHFFFAOYSA-N 0 3 374.466 3.079 20 5 FGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000081289341 493861286 /nfs/dbraw/zinc/86/12/86/493861286.db2.gz FJZOLOFNGQIIFR-CYBMUJFWSA-N 0 3 351.834 3.243 20 5 FGBDHN CC(C)N1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799410 493876266 /nfs/dbraw/zinc/87/62/66/493876266.db2.gz PHUDEFQKQYMUBY-AWEZNQCLSA-N 0 3 351.472 3.018 20 5 FGBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000568402315 505686139 /nfs/dbraw/zinc/68/61/39/505686139.db2.gz BDIQNNQJFZZTPV-KRWDZBQOSA-N 0 3 354.472 3.317 20 5 FGBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386886 493880972 /nfs/dbraw/zinc/88/09/72/493880972.db2.gz LCLJPPFUJLHXHH-PBHICJAKSA-N 0 3 353.422 3.380 20 5 FGBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCCCC2)CC1 ZINC000049981911 493888793 /nfs/dbraw/zinc/88/87/93/493888793.db2.gz CYKOGXWOJNHOIA-INIZCTEOSA-N 0 3 374.485 3.120 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050579635 493922270 /nfs/dbraw/zinc/92/22/70/493922270.db2.gz HAOJASXFRAHUEM-CYBMUJFWSA-N 0 3 374.466 3.180 20 5 FGBDHN CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCCCC2)C1 ZINC000081597612 493924985 /nfs/dbraw/zinc/92/49/85/493924985.db2.gz XFJFDPVNTUIBSJ-UHFFFAOYSA-N 0 3 371.441 3.095 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000051472608 493972607 /nfs/dbraw/zinc/97/26/07/493972607.db2.gz PLAIMRIORFYNDY-HKUYNNGSSA-N 0 3 360.385 3.311 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCCN(Cc2ccccc2)CC1 ZINC000051508312 493973579 /nfs/dbraw/zinc/97/35/79/493973579.db2.gz YOIKIAPFZJGRBU-UHFFFAOYSA-N 0 3 355.438 3.182 20 5 FGBDHN CN(C)Cc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032242362 493978285 /nfs/dbraw/zinc/97/82/85/493978285.db2.gz UEMSBPJGUIRYEI-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000032763252 494013708 /nfs/dbraw/zinc/01/37/08/494013708.db2.gz AMDXSQXECHCQBD-INIZCTEOSA-N 0 3 359.451 3.152 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063485912 494059506 /nfs/dbraw/zinc/05/95/06/494059506.db2.gz UOLQWUGCTNQKOX-UHFFFAOYSA-N 0 3 355.438 3.231 20 5 FGBDHN CN(C)CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000063853449 494094486 /nfs/dbraw/zinc/09/44/86/494094486.db2.gz STITVSPXHRYIAH-UHFFFAOYSA-N 0 3 352.394 3.285 20 5 FGBDHN CNC(=O)c1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000064904827 494157579 /nfs/dbraw/zinc/15/75/79/494157579.db2.gz NIYDYUSYLAOXLA-MRXNPFEDSA-N 0 3 374.466 3.265 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054227982 494210431 /nfs/dbraw/zinc/21/04/31/494210431.db2.gz PJGXJJQMFLPVBI-HIFRSBDPSA-N 0 3 357.385 3.299 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000043085240 494262938 /nfs/dbraw/zinc/26/29/38/494262938.db2.gz GAWHPNTUDHFRPU-OLZOCXBDSA-N 0 3 351.472 3.309 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1cccnc1)C1CC1 ZINC000577441709 505727845 /nfs/dbraw/zinc/72/78/45/505727845.db2.gz LFTYAABBYMCNQV-IBGZPJMESA-N 0 3 354.410 3.368 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000067530871 494559892 /nfs/dbraw/zinc/55/98/92/494559892.db2.gz LBMFIXKOYOLPMA-GOSISDBHSA-N 0 3 356.426 3.005 20 5 FGBDHN CC(C)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000023678099 494575109 /nfs/dbraw/zinc/57/51/09/494575109.db2.gz KVWRABSEDGZOBL-IEBWSBKVSA-N 0 3 362.401 3.461 20 5 FGBDHN CN1CCC[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000091482874 494609323 /nfs/dbraw/zinc/60/93/23/494609323.db2.gz HMFQXQSFKFMDGW-SECBINFHSA-N 0 3 362.308 3.276 20 5 FGBDHN C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000080231136 494645171 /nfs/dbraw/zinc/64/51/71/494645171.db2.gz RBEPGALKTVKBDK-RHSMWYFYSA-N 0 3 368.437 3.159 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074958535 494664107 /nfs/dbraw/zinc/66/41/07/494664107.db2.gz GACUJTOHYROHDJ-MFKMUULPSA-N 0 3 359.348 3.026 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000116101623 494702546 /nfs/dbraw/zinc/70/25/46/494702546.db2.gz DQCYZBPDTIQLAA-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000067961117 494711313 /nfs/dbraw/zinc/71/13/13/494711313.db2.gz NRSJFBAWJPJHDY-GOSISDBHSA-N 0 3 356.426 3.407 20 5 FGBDHN CC(C)CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091964108 494737893 /nfs/dbraw/zinc/73/78/93/494737893.db2.gz RTFGWJKFCUJYOD-GOSISDBHSA-N 0 3 358.442 3.242 20 5 FGBDHN CC1CCN(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047865868 494784437 /nfs/dbraw/zinc/78/44/37/494784437.db2.gz IQYOIRADQRPDPP-UHFFFAOYSA-N 0 3 372.372 3.050 20 5 FGBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000026713166 494835076 /nfs/dbraw/zinc/83/50/76/494835076.db2.gz OWBLLQDTXITDHP-LRDDRELGSA-N 0 3 350.802 3.339 20 5 FGBDHN COc1cc(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000109276068 494853645 /nfs/dbraw/zinc/85/36/45/494853645.db2.gz NIXMPCDPEHYUDV-AWEZNQCLSA-N 0 3 371.437 3.463 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000109307225 494858819 /nfs/dbraw/zinc/85/88/19/494858819.db2.gz VYVIJRDFJYXYSN-HNNXBMFYSA-N 0 3 359.451 3.298 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000027412806 494867056 /nfs/dbraw/zinc/86/70/56/494867056.db2.gz YAIRCJZPTHTZDW-CQSZACIVSA-N 0 3 365.499 3.456 20 5 FGBDHN CC[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000133743692 495055791 /nfs/dbraw/zinc/05/57/91/495055791.db2.gz VZNCRFMUEXQNSS-RDTXWAMCSA-N 0 3 366.364 3.354 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000123764034 495182902 /nfs/dbraw/zinc/18/29/02/495182902.db2.gz BAOCEKVSHXPGGQ-IBGZPJMESA-N 0 3 368.437 3.231 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000134897297 495218567 /nfs/dbraw/zinc/21/85/67/495218567.db2.gz WQGZTCJJCBCRHB-WMLDXEAASA-N 0 3 353.422 3.296 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCc4n[nH]cc4C3)cs2)c1 ZINC000124581455 495311228 /nfs/dbraw/zinc/31/12/28/495311228.db2.gz VNGBZRXEXXRUSO-CYBMUJFWSA-N 0 3 355.423 3.089 20 5 FGBDHN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000124910825 495363298 /nfs/dbraw/zinc/36/32/98/495363298.db2.gz LSMWSXCTVQEUKI-OAHLLOKOSA-N 0 3 371.437 3.269 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125265665 495416103 /nfs/dbraw/zinc/41/61/03/495416103.db2.gz QWDVSKDDHXEALY-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN Cc1sc(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000106167606 495422056 /nfs/dbraw/zinc/42/20/56/495422056.db2.gz GTBCMOUMECDVDN-HNNXBMFYSA-N 0 3 353.488 3.451 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(c4nnc[nH]4)CC3)o2)cc1 ZINC000130709155 495433294 /nfs/dbraw/zinc/43/32/94/495433294.db2.gz JDNRUTWQURHUPQ-UHFFFAOYSA-N 0 3 353.382 3.353 20 5 FGBDHN Cc1cccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137457948 495441955 /nfs/dbraw/zinc/44/19/55/495441955.db2.gz NFNRJRRCZVGPHM-WBVHZDCISA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000137520308 495443512 /nfs/dbraw/zinc/44/35/12/495443512.db2.gz VBLFXFWJOUNVAJ-ZFWWWQNUSA-N 0 3 357.385 3.127 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000114946556 495445858 /nfs/dbraw/zinc/44/58/58/495445858.db2.gz GIXGCNKMBGMJHD-UHFFFAOYSA-N 0 3 370.453 3.177 20 5 FGBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131082171 495489528 /nfs/dbraw/zinc/48/95/28/495489528.db2.gz SMRARXJHQJMBAT-QGZVFWFLSA-N 0 3 373.409 3.500 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120954048 495491808 /nfs/dbraw/zinc/49/18/08/495491808.db2.gz XBZHOYBWXWJXRN-WBMJQRKESA-N 0 3 374.466 3.131 20 5 FGBDHN CC(C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182439068 495563449 /nfs/dbraw/zinc/56/34/49/495563449.db2.gz BCLPYRFUILHRPY-CYBMUJFWSA-N 0 3 366.364 3.138 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000158695473 495570170 /nfs/dbraw/zinc/57/01/70/495570170.db2.gz CHROECXACIPAQY-PXNSSMCTSA-N 0 3 369.465 3.455 20 5 FGBDHN Cc1c([C@H](C)NC[C@@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000158704171 495572441 /nfs/dbraw/zinc/57/24/41/495572441.db2.gz QHGRYLWPAIYUAF-PKOBYXMFSA-N 0 3 369.465 3.455 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000154414624 495609520 /nfs/dbraw/zinc/60/95/20/495609520.db2.gz SENFMLZQYALGLO-UXHICEINSA-N 0 3 356.422 3.000 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000154546115 495650943 /nfs/dbraw/zinc/65/09/43/495650943.db2.gz WZRFRCPYVDITEG-LJQANCHMSA-N 0 3 366.421 3.384 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CCCO)c1ccccc1 ZINC000179737593 495711885 /nfs/dbraw/zinc/71/18/85/495711885.db2.gz ZSFOAYSGZSCNJP-SFHVURJKSA-N 0 3 371.437 3.335 20 5 FGBDHN C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000154974676 495790263 /nfs/dbraw/zinc/79/02/63/495790263.db2.gz URGCRFIWEJFPIP-OXJNMPFZSA-N 0 3 355.438 3.146 20 5 FGBDHN CC(C)(C)c1nn(-c2ccccc2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151274787 495790349 /nfs/dbraw/zinc/79/03/49/495790349.db2.gz KTBDOEHXKPMDOD-UHFFFAOYSA-N 0 3 368.441 3.064 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c(OCCN(C)C)c1 ZINC000151373854 495818828 /nfs/dbraw/zinc/81/88/28/495818828.db2.gz NAHMLWQJTKYJIL-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000580667083 505809346 /nfs/dbraw/zinc/80/93/46/505809346.db2.gz KZZGUCDKJOEFNR-CQSZACIVSA-N 0 3 369.450 3.310 20 5 FGBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000183088093 495829063 /nfs/dbraw/zinc/82/90/63/495829063.db2.gz ZKCBEVYGDNHHHL-UHFFFAOYSA-N 0 3 371.384 3.143 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000577858979 505806804 /nfs/dbraw/zinc/80/68/04/505806804.db2.gz GZTAVSUXIQWJAB-UHFFFAOYSA-N 0 3 373.434 3.441 20 5 FGBDHN Cc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000160185673 495903071 /nfs/dbraw/zinc/90/30/71/495903071.db2.gz KUFRJSJOWFGMQY-UHFFFAOYSA-N 0 3 356.426 3.383 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCCCN2CCC(O)CC2)c2ccccc2)c1 ZINC000180212222 495909261 /nfs/dbraw/zinc/90/92/61/495909261.db2.gz SSUZGOWQPFVNRN-NRFANRHFSA-N 0 3 369.465 3.121 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186386312 495977371 /nfs/dbraw/zinc/97/73/71/495977371.db2.gz FKBWARLOMWELMW-GDBMZVCRSA-N 0 3 369.849 3.370 20 5 FGBDHN CCOc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180426436 495992705 /nfs/dbraw/zinc/99/27/05/495992705.db2.gz BRUVPECPBNPRPZ-YOEHRIQHSA-N 0 3 360.410 3.084 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000177351283 496028386 /nfs/dbraw/zinc/02/83/86/496028386.db2.gz KKRLHIHVCJGJJQ-UHFFFAOYSA-N 0 3 356.426 3.040 20 5 FGBDHN CC(C)(CCS(C)(=O)=O)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000174638169 496041560 /nfs/dbraw/zinc/04/15/60/496041560.db2.gz UMYYLYFYDIVHKO-UHFFFAOYSA-N 0 3 366.439 3.158 20 5 FGBDHN CC(C)(CCS(C)(=O)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000174641088 496042913 /nfs/dbraw/zinc/04/29/13/496042913.db2.gz ZZWXDJPAKXMBLP-UHFFFAOYSA-N 0 3 366.439 3.158 20 5 FGBDHN CC[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000160949496 496073496 /nfs/dbraw/zinc/07/34/96/496073496.db2.gz DQURZJFNTHUZTD-GOSISDBHSA-N 0 3 362.451 3.380 20 5 FGBDHN Cc1sc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000152377140 496131375 /nfs/dbraw/zinc/13/13/75/496131375.db2.gz NKBCTYKYBDEIIS-UHFFFAOYSA-N 0 3 374.466 3.348 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000174947651 496177367 /nfs/dbraw/zinc/17/73/67/496177367.db2.gz UYNHPXZYVKUGMJ-OAHLLOKOSA-N 0 3 359.451 3.250 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180908850 496194229 /nfs/dbraw/zinc/19/42/29/496194229.db2.gz TXQIZGBLHIKDMT-VXGBXAGGSA-N 0 3 371.384 3.046 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2c1cccc2O ZINC000569030260 505833313 /nfs/dbraw/zinc/83/33/13/505833313.db2.gz XKDCPMVMFCBAEL-SJKOYZFVSA-N 0 3 355.394 3.295 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000175202553 496289684 /nfs/dbraw/zinc/28/96/84/496289684.db2.gz ZGHFQOCKTBTNHB-CRAIPNDOSA-N 0 3 362.474 3.042 20 5 FGBDHN C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780569 505836444 /nfs/dbraw/zinc/83/64/44/505836444.db2.gz DWDWHKPYIMYXEG-IERDGZPVSA-N 0 3 367.449 3.479 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187264738 496367655 /nfs/dbraw/zinc/36/76/55/496367655.db2.gz DPARVGJBVJSGDL-ACJLOTCBSA-N 0 3 357.410 3.025 20 5 FGBDHN COc1cc(CN[C@H]2CCC[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000172633430 496368927 /nfs/dbraw/zinc/36/89/27/496368927.db2.gz UQFWTBZTCCIFCT-ROUUACIJSA-N 0 3 372.421 3.185 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184414386 496374076 /nfs/dbraw/zinc/37/40/76/496374076.db2.gz IWMRVVXJIOGDNP-AWEZNQCLSA-N 0 3 368.437 3.132 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000153318210 496418400 /nfs/dbraw/zinc/41/84/00/496418400.db2.gz XICDNCTVKGNPDM-CQSZACIVSA-N 0 3 357.410 3.074 20 5 FGBDHN CCOc1ccc([C@H](C)NCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000153418226 496449084 /nfs/dbraw/zinc/44/90/84/496449084.db2.gz NWTUGYGGVXEDDZ-HNNXBMFYSA-N 0 3 363.458 3.437 20 5 FGBDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000163014414 496450499 /nfs/dbraw/zinc/45/04/99/496450499.db2.gz GSBMGOIDLHLDBS-YDHLFZDLSA-N 0 3 355.394 3.076 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2C[C@@H]1C ZINC000172909820 496487693 /nfs/dbraw/zinc/48/76/93/496487693.db2.gz FBJWFZXGINVHIA-AWEZNQCLSA-N 0 3 369.421 3.379 20 5 FGBDHN COc1ccc(CNC[C@H](O)COc2c(C)ccc(C)c2C)cc1[N+](=O)[O-] ZINC000569092213 505851065 /nfs/dbraw/zinc/85/10/65/505851065.db2.gz WVXHWTNKWVXCLR-KRWDZBQOSA-N 0 3 374.437 3.058 20 5 FGBDHN CC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC)cc1 ZINC000181831644 496563800 /nfs/dbraw/zinc/56/38/00/496563800.db2.gz YBIDTDYMSBCTLF-RTBURBONSA-N 0 3 369.421 3.450 20 5 FGBDHN C[C@@H](c1ccc(Cl)cc1)N(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173235971 496605684 /nfs/dbraw/zinc/60/56/84/496605684.db2.gz UFJYUNBLEBASJJ-YVEFUNNKSA-N 0 3 364.833 3.031 20 5 FGBDHN CCOc1ccc([C@H](C)NCCc2cccc(C(=O)NC)c2)cc1[N+](=O)[O-] ZINC000153929272 496626884 /nfs/dbraw/zinc/62/68/84/496626884.db2.gz KPXLGMOSTUBCLB-AWEZNQCLSA-N 0 3 371.437 3.246 20 5 FGBDHN CCCC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)cc1 ZINC000182140293 496685186 /nfs/dbraw/zinc/68/51/86/496685186.db2.gz VCIHOKXWPCLXFI-GOSISDBHSA-N 0 3 359.426 3.286 20 5 FGBDHN C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182264721 496723434 /nfs/dbraw/zinc/72/34/34/496723434.db2.gz AADGBAVSVWBNJR-QRWLVFNGSA-N 0 3 355.438 3.012 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000194906276 496756340 /nfs/dbraw/zinc/75/63/40/496756340.db2.gz GTILPBITFFGUML-YJBOKZPZSA-N 0 3 357.366 3.370 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273391641 496792143 /nfs/dbraw/zinc/79/21/43/496792143.db2.gz DOKIZGYTZVKGFW-GJZGRUSLSA-N 0 3 362.474 3.336 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000247258605 496818292 /nfs/dbraw/zinc/81/82/92/496818292.db2.gz VCOSBZFOIDHARD-YOEHRIQHSA-N 0 3 368.437 3.081 20 5 FGBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277603785 496826471 /nfs/dbraw/zinc/82/64/71/496826471.db2.gz AAFACDLGYGXKTQ-CQSZACIVSA-N 0 3 361.445 3.308 20 5 FGBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1(O)CCOCC1 ZINC000188833501 496923659 /nfs/dbraw/zinc/92/36/59/496923659.db2.gz QZPFFYUXZIABIC-UHFFFAOYSA-N 0 3 362.451 3.297 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195593543 496952073 /nfs/dbraw/zinc/95/20/73/496952073.db2.gz VWAMWNGQMAGRDB-CHWSQXEVSA-N 0 3 351.472 3.167 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000269924428 497026316 /nfs/dbraw/zinc/02/63/16/497026316.db2.gz BLCCOENYJSXEHD-ZZCKCESHSA-N 0 3 373.453 3.168 20 5 FGBDHN Cc1c(Br)c(N[C@H]2CCN3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000228015220 497091826 /nfs/dbraw/zinc/09/18/26/497091826.db2.gz GEAWAHPAHUUANF-QWRGUYRKSA-N 0 3 355.236 3.099 20 5 FGBDHN Cc1cccc(OC[C@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192730425 497197785 /nfs/dbraw/zinc/19/77/85/497197785.db2.gz RBKWHZCWPWOIBV-XLIONFOSSA-N 0 3 356.422 3.310 20 5 FGBDHN CCC[C@@H](N[C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192810879 497220427 /nfs/dbraw/zinc/22/04/27/497220427.db2.gz YWRINFWTIFRXAC-FUHWJXTLSA-N 0 3 355.442 3.485 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000270954333 497233487 /nfs/dbraw/zinc/23/34/87/497233487.db2.gz FPLPNYZLBQUWNV-GFCCVEGCSA-N 0 3 351.472 3.119 20 5 FGBDHN CCn1nccc1C1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000278881928 497253936 /nfs/dbraw/zinc/25/39/36/497253936.db2.gz NFQIGCQVKVVLLA-UHFFFAOYSA-N 0 3 374.441 3.078 20 5 FGBDHN Cc1ccc([C@H](O)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237650185 497268711 /nfs/dbraw/zinc/26/87/11/497268711.db2.gz CVRVJXBKQVVDNW-LJQANCHMSA-N 0 3 366.421 3.127 20 5 FGBDHN CC(=O)NCC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000271138476 497271463 /nfs/dbraw/zinc/27/14/63/497271463.db2.gz NWTZSZAPEAFTJR-UHFFFAOYSA-N 0 3 357.410 3.203 20 5 FGBDHN CCOc1ccc([C@H](C)NCc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000271146076 497272899 /nfs/dbraw/zinc/27/28/99/497272899.db2.gz PLXMMGHCNDWZCT-AWEZNQCLSA-N 0 3 367.409 3.425 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000190053501 497340457 /nfs/dbraw/zinc/34/04/57/497340457.db2.gz YWXOEMSSTLYZHZ-NVXWUHKLSA-N 0 3 363.483 3.138 20 5 FGBDHN COc1cccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000275571743 497369045 /nfs/dbraw/zinc/36/90/45/497369045.db2.gz GLTJYQGTFNHFHB-GFCCVEGCSA-N 0 3 361.373 3.422 20 5 FGBDHN COc1cccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000275571746 497369165 /nfs/dbraw/zinc/36/91/65/497369165.db2.gz GLTJYQGTFNHFHB-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](C)C1 ZINC000245522789 497439493 /nfs/dbraw/zinc/43/94/93/497439493.db2.gz MDAILVNTFOSUCE-NWDGAFQWSA-N 0 3 371.384 3.046 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245526145 497440920 /nfs/dbraw/zinc/44/09/20/497440920.db2.gz OUZBJPOZVGGQHN-KHYOSLBOSA-N 0 3 357.454 3.440 20 5 FGBDHN Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193769673 497476055 /nfs/dbraw/zinc/47/60/55/497476055.db2.gz RWQPLEFDVALMNV-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193793104 497484114 /nfs/dbraw/zinc/48/41/14/497484114.db2.gz SOVWQZBEMUEWRY-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCNC[C@@H]2c2ccncc2)o1 ZINC000262079545 497505482 /nfs/dbraw/zinc/50/54/82/497505482.db2.gz SWGVZCAIKZVYDS-LJQANCHMSA-N 0 3 364.405 3.396 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506675 497570179 /nfs/dbraw/zinc/57/01/79/497570179.db2.gz YQCWGJBVYYYVQP-RDTXWAMCSA-N 0 3 371.412 3.374 20 5 FGBDHN COc1cc(C(=O)Nc2ccccc2CCN(C)C)cc([N+](=O)[O-])c1C ZINC000276967844 497701785 /nfs/dbraw/zinc/70/17/85/497701785.db2.gz OCIUMVFGSFLPAF-UHFFFAOYSA-N 0 3 357.410 3.268 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000280406427 497743542 /nfs/dbraw/zinc/74/35/42/497743542.db2.gz LDNFHMTYZVPSFK-CABCVRRESA-N 0 3 361.442 3.081 20 5 FGBDHN COc1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000272893939 497755384 /nfs/dbraw/zinc/75/53/84/497755384.db2.gz ZDSXFFKITGZJAQ-UHFFFAOYSA-N 0 3 362.430 3.086 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2cc(F)ccc2C1 ZINC000575138487 505929200 /nfs/dbraw/zinc/92/92/00/505929200.db2.gz CGDASJQLHGCXHF-WBMJQRKESA-N 0 3 373.384 3.044 20 5 FGBDHN COc1cccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000364279340 497877477 /nfs/dbraw/zinc/87/74/77/497877477.db2.gz DZXBCAYJQVDTBH-INIZCTEOSA-N 0 3 356.426 3.323 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccccn1 ZINC000578483598 505950312 /nfs/dbraw/zinc/95/03/12/505950312.db2.gz RNGIESWGIHDNLH-KRWDZBQOSA-N 0 3 370.409 3.164 20 5 FGBDHN C[C@@H](NC(=O)N1CCN(C2CCC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307103 497964372 /nfs/dbraw/zinc/96/43/72/497964372.db2.gz NEIPPCCLZPISBQ-LSDHHAIUSA-N 0 3 360.458 3.172 20 5 FGBDHN Cc1c([C@H](C)N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cccc1[N+](=O)[O-] ZINC000296262282 497976815 /nfs/dbraw/zinc/97/68/15/497976815.db2.gz DISGWODECFLCKU-HRCADAONSA-N 0 3 353.422 3.245 20 5 FGBDHN CC1CCN(C[C@H](O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301186732 497988975 /nfs/dbraw/zinc/98/89/75/497988975.db2.gz VMQXTHINFFWYNT-CYBMUJFWSA-N 0 3 361.364 3.118 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296410244 498033730 /nfs/dbraw/zinc/03/37/30/498033730.db2.gz KHOCKUKHFFZLBT-ZDUSSCGKSA-N 0 3 353.850 3.489 20 5 FGBDHN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN(C2CC2)C1 ZINC000296666793 498144725 /nfs/dbraw/zinc/14/47/25/498144725.db2.gz GFGVTEMZZCLTQG-CQSZACIVSA-N 0 3 356.426 3.166 20 5 FGBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000581444622 505989964 /nfs/dbraw/zinc/98/99/64/505989964.db2.gz SKTFVAUOUUHPGL-QZTJIDSGSA-N 0 3 373.478 3.228 20 5 FGBDHN CN(C)C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC000581449195 505990465 /nfs/dbraw/zinc/99/04/65/505990465.db2.gz IMCQGBWKJLFALX-SFHVURJKSA-N 0 3 370.384 3.248 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c2ccncc21 ZINC000301726349 498240402 /nfs/dbraw/zinc/24/04/02/498240402.db2.gz ALNHNKQKRGJKLQ-INIZCTEOSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296905788 498245929 /nfs/dbraw/zinc/24/59/29/498245929.db2.gz YEJLPKUSHMBFAU-LBPRGKRZSA-N 0 3 364.421 3.380 20 5 FGBDHN Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c2cc(OC(F)F)ccc2n1 ZINC000301742128 498246997 /nfs/dbraw/zinc/24/69/97/498246997.db2.gz YKXDTFFNUDQDEL-UHFFFAOYSA-N 0 3 363.324 3.361 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC4(CC3)OCCCO4)o2)c1 ZINC000293147971 498286193 /nfs/dbraw/zinc/28/61/93/498286193.db2.gz USCIZAFNXXCTQQ-UHFFFAOYSA-N 0 3 373.409 3.021 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)C2C[C@H](c3ccccc3)OC2=O)cc1[N+](=O)[O-] ZINC000289824843 498310022 /nfs/dbraw/zinc/31/00/22/498310022.db2.gz UCBCVTXPTVIABE-FDQGKXFDSA-N 0 3 368.389 3.385 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000365240662 498369998 /nfs/dbraw/zinc/36/99/98/498369998.db2.gz ODZCXQXZICMVHR-INIZCTEOSA-N 0 3 369.425 3.024 20 5 FGBDHN Cc1cc(Nc2cccc3c2CCN(CC(C)(C)O)C3)ncc1[N+](=O)[O-] ZINC000302201776 498440685 /nfs/dbraw/zinc/44/06/85/498440685.db2.gz ZOCVIGZHUDQLJH-UHFFFAOYSA-N 0 3 356.426 3.171 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000297465967 498459216 /nfs/dbraw/zinc/45/92/16/498459216.db2.gz NLDXDVVOUYMMMZ-MRXNPFEDSA-N 0 3 352.822 3.198 20 5 FGBDHN CC(C)c1nccn1[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781610 498552820 /nfs/dbraw/zinc/55/28/20/498552820.db2.gz OEUIBQYGZXYKLJ-ZWKOTPCHSA-N 0 3 358.442 3.285 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332137803 498575306 /nfs/dbraw/zinc/57/53/06/498575306.db2.gz QEWAAKDPGAVVAI-IXDOHACOSA-N 0 3 361.486 3.477 20 5 FGBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000572816134 506058469 /nfs/dbraw/zinc/05/84/69/506058469.db2.gz RIIBFNXJUKUIRK-UHFFFAOYSA-N 0 3 372.425 3.050 20 5 FGBDHN C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CCc2ccccc2C1 ZINC000302829573 498591984 /nfs/dbraw/zinc/59/19/84/498591984.db2.gz JWJDTLUSDKLYTA-CQSZACIVSA-N 0 3 352.438 3.422 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000365676435 498593197 /nfs/dbraw/zinc/59/31/97/498593197.db2.gz MWNJQOPFODPFRW-DYVFJYSZSA-N 0 3 359.451 3.388 20 5 FGBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(O)cc1 ZINC000581753361 506060724 /nfs/dbraw/zinc/06/07/24/506060724.db2.gz UUEJEYUZEGFLKT-UHFFFAOYSA-N 0 3 352.394 3.333 20 5 FGBDHN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365754987 498625991 /nfs/dbraw/zinc/62/59/91/498625991.db2.gz VIGGBINPWAYHOX-ZWKOTPCHSA-N 0 3 365.433 3.189 20 5 FGBDHN Cc1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000282960671 498727118 /nfs/dbraw/zinc/72/71/18/498727118.db2.gz KJFBATZRDHNGDQ-QGZVFWFLSA-N 0 3 354.410 3.299 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccc3c2OCCCO3)n1 ZINC000581923950 506090682 /nfs/dbraw/zinc/09/06/82/506090682.db2.gz CLEKECIKEJYXAR-HOTGVXAUSA-N 0 3 372.425 3.226 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000324571535 498829053 /nfs/dbraw/zinc/82/90/53/498829053.db2.gz WTOUQDPWACDQCW-CQSZACIVSA-N 0 3 371.220 3.431 20 5 FGBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295329427 498981751 /nfs/dbraw/zinc/98/17/51/498981751.db2.gz MGKRURLOAIMENE-GFCCVEGCSA-N 0 3 359.348 3.216 20 5 FGBDHN C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842930 498998243 /nfs/dbraw/zinc/99/82/43/498998243.db2.gz AYLDSBYNWCDSFU-AWEZNQCLSA-N 0 3 368.437 3.150 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295406816 499007420 /nfs/dbraw/zinc/00/74/20/499007420.db2.gz WAVRMWVEFNHYRQ-YPMHNXCESA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295406808 499007802 /nfs/dbraw/zinc/00/78/02/499007802.db2.gz WAVRMWVEFNHYRQ-DGCLKSJQSA-N 0 3 371.359 3.312 20 5 FGBDHN COc1cc(CN2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000363864233 499031341 /nfs/dbraw/zinc/03/13/41/499031341.db2.gz CVQJKZMAWBCNLT-ZDUSSCGKSA-N 0 3 350.415 3.003 20 5 FGBDHN CCN1CCC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136893 /nfs/dbraw/zinc/13/68/93/499136893.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 0 3 371.485 3.233 20 5 FGBDHN Cc1ccn2c(c1)nnc2C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372543079 499143071 /nfs/dbraw/zinc/14/30/71/499143071.db2.gz CSBUHGNNHDDFRV-UHFFFAOYSA-N 0 3 351.410 3.326 20 5 FGBDHN O=C([C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000370051940 499171891 /nfs/dbraw/zinc/17/18/91/499171891.db2.gz YDQDCDWMZYHZTO-OCCSQVGLSA-N 0 3 351.834 3.129 20 5 FGBDHN COCc1nccc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000371439149 499326720 /nfs/dbraw/zinc/32/67/20/499326720.db2.gz SCAXEJGNCXBCDK-MRXNPFEDSA-N 0 3 356.426 3.219 20 5 FGBDHN Cc1cc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c2ccccc2n1 ZINC000372358670 499424710 /nfs/dbraw/zinc/42/47/10/499424710.db2.gz SPTKVOIFLQDYFS-MRXNPFEDSA-N 0 3 351.410 3.485 20 5 FGBDHN Cc1cc(NCC2(O)CCN(Cc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000397510928 499564392 /nfs/dbraw/zinc/56/43/92/499564392.db2.gz LZZAOUFLNKEJBO-UHFFFAOYSA-N 0 3 373.428 3.481 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398073409 499566285 /nfs/dbraw/zinc/56/62/85/499566285.db2.gz HSFARWWYLXBLPG-QGZVFWFLSA-N 0 3 370.453 3.063 20 5 FGBDHN CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000410088478 499640563 /nfs/dbraw/zinc/64/05/63/499640563.db2.gz PZNAEGPHTFKORV-QGZVFWFLSA-N 0 3 370.453 3.126 20 5 FGBDHN CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000410088478 499640565 /nfs/dbraw/zinc/64/05/65/499640565.db2.gz PZNAEGPHTFKORV-QGZVFWFLSA-N 0 3 370.453 3.126 20 5 FGBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000410088478 499640566 /nfs/dbraw/zinc/64/05/66/499640566.db2.gz PZNAEGPHTFKORV-QGZVFWFLSA-N 0 3 370.453 3.126 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](n4cncn4)C3)s2)cc1 ZINC000377284252 499676649 /nfs/dbraw/zinc/67/66/49/499676649.db2.gz ZVHWOHARZKAAAG-HNNXBMFYSA-N 0 3 355.423 3.362 20 5 FGBDHN CN(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411150211 499703387 /nfs/dbraw/zinc/70/33/87/499703387.db2.gz ZAVWXBVSFRSMNC-OTWHNJEPSA-N 0 3 353.422 3.117 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1ccccc1 ZINC000411231839 499714762 /nfs/dbraw/zinc/71/47/62/499714762.db2.gz SFWSZTXZYOWEHM-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n(C)n1 ZINC000570394212 506158039 /nfs/dbraw/zinc/15/80/39/506158039.db2.gz ZHXVUWBLFJPTNR-HZPDHXFCSA-N 0 3 357.458 3.265 20 5 FGBDHN CC(C)(CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000414254768 499771731 /nfs/dbraw/zinc/77/17/31/499771731.db2.gz JAHXJKSATCWSEW-OAHLLOKOSA-N 0 3 354.472 3.120 20 5 FGBDHN Cc1c(NC(=O)CCN2C[C@@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411951838 499806070 /nfs/dbraw/zinc/80/60/70/499806070.db2.gz SIKVOAPRUIZZAY-QFBILLFUSA-N 0 3 369.421 3.040 20 5 FGBDHN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000412031541 499814644 /nfs/dbraw/zinc/81/46/44/499814644.db2.gz FXTBJIVUXTULIK-HNNXBMFYSA-N 0 3 361.442 3.129 20 5 FGBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000412561607 499863458 /nfs/dbraw/zinc/86/34/58/499863458.db2.gz FIEGBEFDPKFMMF-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417143181 499986557 /nfs/dbraw/zinc/98/65/57/499986557.db2.gz UNZBQWYIDBOWDJ-ACJLOTCBSA-N 0 3 356.426 3.217 20 5 FGBDHN CCCN1C[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000421353911 500024190 /nfs/dbraw/zinc/02/41/90/500024190.db2.gz QLOMGDWVQSEXSR-AWEZNQCLSA-N 0 3 357.410 3.203 20 5 FGBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425432605 500105078 /nfs/dbraw/zinc/10/50/78/500105078.db2.gz LCUGMFNGXDCBRE-ZJUUUORDSA-N 0 3 359.220 3.035 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417989014 500210483 /nfs/dbraw/zinc/21/04/83/500210483.db2.gz SKXQVFIFXVLADR-CXAGYDPISA-N 0 3 356.426 3.217 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC3(CCCCC3)C2)c1 ZINC000430767052 500282360 /nfs/dbraw/zinc/28/23/60/500282360.db2.gz WLYFIUANCAQTIQ-INIZCTEOSA-N 0 3 366.483 3.086 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCCCN1C1CC1 ZINC000431427546 500376372 /nfs/dbraw/zinc/37/63/72/500376372.db2.gz OZSKBIDMEOAALD-LBPRGKRZSA-N 0 3 355.236 3.181 20 5 FGBDHN CCc1ccc([C@@H](N[C@H]2CNCCC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423469058 500376910 /nfs/dbraw/zinc/37/69/10/500376910.db2.gz CELIEEXRKJLZFJ-IRXDYDNUSA-N 0 3 365.380 3.426 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000431870514 500436865 /nfs/dbraw/zinc/43/68/65/500436865.db2.gz IUONNSJQNBZRAT-LSDHHAIUSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@@]1(Cc2ccc(F)cc2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420921327 500530729 /nfs/dbraw/zinc/53/07/29/500530729.db2.gz CRXDAJVNKAGSDU-FQEVSTJZSA-N 0 3 371.412 3.430 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420992664 500549377 /nfs/dbraw/zinc/54/93/77/500549377.db2.gz LAVGLTODLKAMKY-HUUCEWRRSA-N 0 3 366.364 3.321 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433048639 500613798 /nfs/dbraw/zinc/61/37/98/500613798.db2.gz XWEFFYCLXNOCNN-MJGOQNOKSA-N 0 3 356.422 3.214 20 5 FGBDHN Cc1ccn2cc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000447527142 500617209 /nfs/dbraw/zinc/61/72/09/500617209.db2.gz FFZXBGSINCJMBJ-HZPDHXFCSA-N 0 3 354.414 3.021 20 5 FGBDHN Cc1ccn2cc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000447527143 500617283 /nfs/dbraw/zinc/61/72/83/500617283.db2.gz FFZXBGSINCJMBJ-JKSUJKDBSA-N 0 3 354.414 3.021 20 5 FGBDHN CCOc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1OC ZINC000447532023 500619001 /nfs/dbraw/zinc/61/90/01/500619001.db2.gz UGVKTKYTCOFRLN-HZPDHXFCSA-N 0 3 374.441 3.472 20 5 FGBDHN Cc1ccc2[nH]c(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000447563968 500625546 /nfs/dbraw/zinc/62/55/46/500625546.db2.gz TVRRNPKOQUYETH-ZBFHGGJFSA-N 0 3 354.414 3.250 20 5 FGBDHN Cc1ccc2nc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563968 500625551 /nfs/dbraw/zinc/62/55/51/500625551.db2.gz TVRRNPKOQUYETH-ZBFHGGJFSA-N 0 3 354.414 3.250 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOCC(F)(F)C(F)F)CCC2 ZINC000447594982 500631356 /nfs/dbraw/zinc/63/13/56/500631356.db2.gz JZQZIJPZSOEVPT-ZDUSSCGKSA-N 0 3 350.312 3.479 20 5 FGBDHN C[C@@H]1CN(CCCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433134403 500633065 /nfs/dbraw/zinc/63/30/65/500633065.db2.gz QWINABNMRUEDFE-KHYOSLBOSA-N 0 3 361.486 3.406 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000437550090 500659296 /nfs/dbraw/zinc/65/92/96/500659296.db2.gz XDLXAPQSBSPYOY-IBGZPJMESA-N 0 3 356.422 3.307 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448690154 500804407 /nfs/dbraw/zinc/80/44/07/500804407.db2.gz KIUQFYPZHHUORD-NSHDSACASA-N 0 3 359.348 3.218 20 5 FGBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448707517 500810645 /nfs/dbraw/zinc/81/06/45/500810645.db2.gz KDEZXQUEORBKCD-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000439022757 500848448 /nfs/dbraw/zinc/84/84/48/500848448.db2.gz NBDWCBNOMYJCGC-HXUWFJFHSA-N 0 3 369.465 3.427 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000439128835 500860703 /nfs/dbraw/zinc/86/07/03/500860703.db2.gz PMZSEVQXVREONJ-CZUORRHYSA-N 0 3 372.425 3.270 20 5 FGBDHN COc1cc(C(=O)N(CCN2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000588177289 506222133 /nfs/dbraw/zinc/22/21/33/506222133.db2.gz VMYWZYGDZOWXNG-UHFFFAOYSA-N 0 3 363.458 3.330 20 5 FGBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434737919 500885307 /nfs/dbraw/zinc/88/53/07/500885307.db2.gz MIXIYBNHCWWFGZ-KXBFYZLASA-N 0 3 358.417 3.254 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000439641551 500922220 /nfs/dbraw/zinc/92/22/20/500922220.db2.gz OQXPKQHXCLCSKH-IXKJSCDLSA-N 0 3 361.442 3.023 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCc2ccccc21 ZINC000449099709 500924930 /nfs/dbraw/zinc/92/49/30/500924930.db2.gz OUNPAIKHSWBSRL-HNNXBMFYSA-N 0 3 353.422 3.095 20 5 FGBDHN COCC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C)o1 ZINC000602590175 506226363 /nfs/dbraw/zinc/22/63/63/506226363.db2.gz XOTUUAXLKCTUDK-QGZVFWFLSA-N 0 3 374.441 3.227 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1CCN(CC(F)F)CC1 ZINC000598918726 506226674 /nfs/dbraw/zinc/22/66/74/506226674.db2.gz XHRFUYVNIGDYIN-UHFFFAOYSA-N 0 3 357.401 3.060 20 5 FGBDHN COc1cc(CNCC2(OC)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449348404 500983607 /nfs/dbraw/zinc/98/36/07/500983607.db2.gz URFGATJPSAOEFX-UHFFFAOYSA-N 0 3 374.384 3.296 20 5 FGBDHN CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449501744 501019561 /nfs/dbraw/zinc/01/95/61/501019561.db2.gz WBPKKNZAHKMYHJ-KDOFPFPSSA-N 0 3 358.442 3.242 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000446027997 501064110 /nfs/dbraw/zinc/06/41/10/501064110.db2.gz HXPQHXHBLPBRPW-CYBMUJFWSA-N 0 3 353.850 3.407 20 5 FGBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000441076336 501084523 /nfs/dbraw/zinc/08/45/23/501084523.db2.gz DCYCIOKKPZEDTM-QUCCMNQESA-N 0 3 370.449 3.460 20 5 FGBDHN CS[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1N(C)C ZINC000450401889 501113316 /nfs/dbraw/zinc/11/33/16/501113316.db2.gz KDZGEVCLNGDKAQ-CABCVRRESA-N 0 3 364.496 3.200 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1Cc2ccccc2N(C)C1 ZINC000436420561 501124448 /nfs/dbraw/zinc/12/44/48/501124448.db2.gz ZXQZNIAOMMFNON-OAHLLOKOSA-N 0 3 355.438 3.392 20 5 FGBDHN O=[N+]([O-])c1cc(N2CCN(c3ccncc3)CC2)ccc1C(F)(F)F ZINC000596063783 506236075 /nfs/dbraw/zinc/23/60/75/506236075.db2.gz SPACRMBJTDMATL-UHFFFAOYSA-N 0 3 352.316 3.335 20 5 FGBDHN C[C@@H](CCc1ccc2c(c1)OCO2)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446852104 501174331 /nfs/dbraw/zinc/17/43/31/501174331.db2.gz HTWMMBKXWPDEGN-LBPRGKRZSA-N 0 3 368.393 3.311 20 5 FGBDHN COC(=O)[C@](C)(CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000447062243 501198736 /nfs/dbraw/zinc/19/87/36/501198736.db2.gz YDVOKWAFEUPMJD-LJQANCHMSA-N 0 3 360.385 3.263 20 5 FGBDHN O=C(CCN1CCC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451004390 501238485 /nfs/dbraw/zinc/23/84/85/501238485.db2.gz NALVLLXISKWNDB-INIZCTEOSA-N 0 3 354.410 3.198 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000453245651 501298106 /nfs/dbraw/zinc/29/81/06/501298106.db2.gz LOCFSKPHUQPBQB-CXAGYDPISA-N 0 3 362.401 3.387 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000451553278 501321759 /nfs/dbraw/zinc/32/17/59/501321759.db2.gz YAPROYKCPAEMCW-TZIWHRDSSA-N 0 3 370.449 3.352 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@H]([C@H](CO)C3CC3)C3CC3)co2)cc1 ZINC000451592211 501332412 /nfs/dbraw/zinc/33/24/12/501332412.db2.gz BOYJHMXSFDIIBG-MSOLQXFVSA-N 0 3 357.410 3.137 20 5 FGBDHN CN(C)[C@]1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCSC1 ZINC000582490158 506251616 /nfs/dbraw/zinc/25/16/16/506251616.db2.gz UGWQNKUDLJYVNS-KGLIPLIRSA-N 0 3 363.405 3.225 20 5 FGBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000454496822 501560762 /nfs/dbraw/zinc/56/07/62/501560762.db2.gz VFOCXZVWXNPUSY-CVEARBPZSA-N 0 3 370.453 3.476 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000582506771 506261453 /nfs/dbraw/zinc/26/14/53/506261453.db2.gz RPTDALAAMBYSCE-KXBFYZLASA-N 0 3 353.422 3.296 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000457050600 501641052 /nfs/dbraw/zinc/64/10/52/501641052.db2.gz GWCSGIDLORAHFA-UHFFFAOYSA-N 0 3 368.437 3.261 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000457095750 501650020 /nfs/dbraw/zinc/65/00/20/501650020.db2.gz QEGOQOWYEPHJQM-LLVKDONJSA-N 0 3 359.348 3.168 20 5 FGBDHN C[C@@H](CCCc1cccnc1)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459643365 501691886 /nfs/dbraw/zinc/69/18/86/501691886.db2.gz OJQPDXYFXDWYIC-GJZGRUSLSA-N 0 3 356.426 3.318 20 5 FGBDHN C[C@H](Cc1cccc(F)c1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763829 501710765 /nfs/dbraw/zinc/71/07/65/501710765.db2.gz XHRGQYNQWMEWDJ-RDTXWAMCSA-N 0 3 362.401 3.037 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999096 506270922 /nfs/dbraw/zinc/27/09/22/506270922.db2.gz DWLVBBKNQZFADQ-YOEHRIQHSA-N 0 3 360.458 3.280 20 5 FGBDHN CC(C)N1CCC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671479 501761669 /nfs/dbraw/zinc/76/16/69/501761669.db2.gz TYPVOAKBWZSMRO-KBPBESRZSA-N 0 3 351.472 3.064 20 5 FGBDHN Cc1c(CN[C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000477736414 501772366 /nfs/dbraw/zinc/77/23/66/501772366.db2.gz ABTVGOLBLJMTDA-UWJYYQICSA-N 0 3 369.465 3.455 20 5 FGBDHN O=[N+]([O-])c1sc(CNCC(O)(C2CC2)C2CC2)cc1Br ZINC000602714704 506272415 /nfs/dbraw/zinc/27/24/15/506272415.db2.gz CELILRGATBMDNS-UHFFFAOYSA-N 0 3 361.261 3.060 20 5 FGBDHN CC(C)N(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592874040 506286360 /nfs/dbraw/zinc/28/63/60/506286360.db2.gz QQTJMONVVHENMR-MRXNPFEDSA-N 0 3 356.426 3.048 20 5 FGBDHN CC(C)[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000474928118 501994569 /nfs/dbraw/zinc/99/45/69/501994569.db2.gz GPHNMNLCSQUGIG-CABCVRRESA-N 0 3 354.472 3.173 20 5 FGBDHN Cc1c(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478631317 502039055 /nfs/dbraw/zinc/03/90/55/502039055.db2.gz KTGRSBNDRWDDOK-HNNXBMFYSA-N 0 3 370.453 3.223 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086808 502050555 /nfs/dbraw/zinc/05/05/55/502050555.db2.gz IUFIUAGZPPHRBX-IFXJQAMLSA-N 0 3 362.426 3.159 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000475093132 502054138 /nfs/dbraw/zinc/05/41/38/502054138.db2.gz FYFWGBABGOFLTD-CQSZACIVSA-N 0 3 362.426 3.159 20 5 FGBDHN C[C@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464217 502066002 /nfs/dbraw/zinc/06/60/02/502066002.db2.gz WWLMCCYWGDJSPM-BLLLJJGKSA-N 0 3 351.422 3.074 20 5 FGBDHN Cc1c(CNCc2ccc(Cl)cc2-n2cncn2)cccc1[N+](=O)[O-] ZINC000475225753 502104839 /nfs/dbraw/zinc/10/48/39/502104839.db2.gz VFQLPTXCDHUEDE-UHFFFAOYSA-N 0 3 357.801 3.427 20 5 FGBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475300317 502124801 /nfs/dbraw/zinc/12/48/01/502124801.db2.gz ISHNAWNRKUYBKJ-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(CS(C)(=O)=O)cc1 ZINC000468623974 502129261 /nfs/dbraw/zinc/12/92/61/502129261.db2.gz YZRMVNFJKFSASA-GDNBJRDFSA-N 0 3 374.462 3.333 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COc1ccc(F)cc1 ZINC000468629587 502130483 /nfs/dbraw/zinc/13/04/83/502130483.db2.gz FMYXZRFTLQSAGS-MOVXZBDNSA-N 0 3 360.385 3.167 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](O)COc1cccc(C)c1 ZINC000468634708 502132818 /nfs/dbraw/zinc/13/28/18/502132818.db2.gz HIEATFKBTPZJPO-QHVUTBCBSA-N 0 3 356.422 3.336 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)N(C)Cc1ccccc1 ZINC000468656075 502137257 /nfs/dbraw/zinc/13/72/57/502137257.db2.gz RDCNPKJSMBZJKA-LFIBNONCSA-N 0 3 353.422 3.246 20 5 FGBDHN COc1ccc(CN2C[C@H](O)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813030 502143039 /nfs/dbraw/zinc/14/30/39/502143039.db2.gz XPFKSBAKPJXZDO-KBXCAEBGSA-N 0 3 372.421 3.138 20 5 FGBDHN COc1ccc(CN2C[C@@H](O)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813032 502143491 /nfs/dbraw/zinc/14/34/91/502143491.db2.gz XPFKSBAKPJXZDO-KSSFIOAISA-N 0 3 372.421 3.138 20 5 FGBDHN Cc1cc(N2CC[C@H](OCCN(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461952645 502251156 /nfs/dbraw/zinc/25/11/56/502251156.db2.gz GFYMIGDRUSXOJC-LBPRGKRZSA-N 0 3 361.364 3.079 20 5 FGBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000469042483 502275672 /nfs/dbraw/zinc/27/56/72/502275672.db2.gz PHPFCDOLOKQNKJ-FQEVSTJZSA-N 0 3 369.465 3.410 20 5 FGBDHN COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000483489904 502408597 /nfs/dbraw/zinc/40/85/97/502408597.db2.gz YDNXVNUHZHNRGO-HNNXBMFYSA-N 0 3 364.442 3.417 20 5 FGBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000483713162 502471917 /nfs/dbraw/zinc/47/19/17/502471917.db2.gz NUAZKWGYRVASQJ-YPMHNXCESA-N 0 3 360.357 3.252 20 5 FGBDHN C[C@H](NCCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480246270 502511595 /nfs/dbraw/zinc/51/15/95/502511595.db2.gz YERHNBPIWCYVQV-SFHVURJKSA-N 0 3 368.481 3.458 20 5 FGBDHN COC[C@H](CCO)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484165826 502590597 /nfs/dbraw/zinc/59/05/97/502590597.db2.gz VEYLPYVKFYXCQU-STQMWFEESA-N 0 3 350.440 3.371 20 5 FGBDHN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)Cc1ccc(Br)cc1 ZINC000476818100 502593616 /nfs/dbraw/zinc/59/36/16/502593616.db2.gz BKBGLXWLVULTRQ-UHFFFAOYSA-N 0 3 367.247 3.202 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000466515880 502594656 /nfs/dbraw/zinc/59/46/56/502594656.db2.gz PMEPBBCFEBYZDA-WMLDXEAASA-N 0 3 354.410 3.379 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@@H]1C ZINC000488009573 502598812 /nfs/dbraw/zinc/59/88/12/502598812.db2.gz NRKGJOOGDDUFBU-SUMWQHHRSA-N 0 3 350.415 3.098 20 5 FGBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C ZINC000466552381 502605497 /nfs/dbraw/zinc/60/54/97/502605497.db2.gz BZJNBKZWWBLLBO-OLZOCXBDSA-N 0 3 368.865 3.310 20 5 FGBDHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1 ZINC000480613493 502620914 /nfs/dbraw/zinc/62/09/14/502620914.db2.gz JPKRNXUZZLPFIX-MSOLQXFVSA-N 0 3 368.481 3.456 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)N(C)C)cc1 ZINC000462908096 502622902 /nfs/dbraw/zinc/62/29/02/502622902.db2.gz VMQOZQTVYJRLBF-SFHVURJKSA-N 0 3 370.453 3.232 20 5 FGBDHN O=C1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1c1ccccc1F ZINC000463041022 502671811 /nfs/dbraw/zinc/67/18/11/502671811.db2.gz DYKKNEQKYIGOKL-ZQMJAJRESA-N 0 3 355.369 3.142 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000470168089 502689390 /nfs/dbraw/zinc/68/93/90/502689390.db2.gz WNIBJEXLEXTNFL-APWZRJJASA-N 0 3 359.470 3.297 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000470168091 502690504 /nfs/dbraw/zinc/69/05/04/502690504.db2.gz WNIBJEXLEXTNFL-QFBILLFUSA-N 0 3 359.470 3.297 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000470170093 502691936 /nfs/dbraw/zinc/69/19/36/502691936.db2.gz OKCJKRWLRGUYOZ-LYPXWFNGSA-N 0 3 359.470 3.042 20 5 FGBDHN CS[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000484653194 502698101 /nfs/dbraw/zinc/69/81/01/502698101.db2.gz OULVLZHAGRHBSQ-CVEARBPZSA-N 0 3 355.891 3.260 20 5 FGBDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470215650 502707022 /nfs/dbraw/zinc/70/70/22/502707022.db2.gz XASARDNKIDVSLM-AYUCCAJWSA-N 0 3 362.426 3.041 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000588765022 506331104 /nfs/dbraw/zinc/33/11/04/506331104.db2.gz SGKNPEDLCSBIRN-OCCSQVGLSA-N 0 3 361.398 3.056 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060714 502774930 /nfs/dbraw/zinc/77/49/30/502774930.db2.gz SSVZVYOBISFZIP-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771198 506333816 /nfs/dbraw/zinc/33/38/16/506333816.db2.gz DMJROHBOIQRPNW-UZLBHIALSA-N 0 3 367.449 3.307 20 5 FGBDHN COc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000593013356 506336081 /nfs/dbraw/zinc/33/60/81/506336081.db2.gz HZAZIMDOAMFDMW-MNOVXSKESA-N 0 3 362.304 3.290 20 5 FGBDHN COCCN(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000505073002 502848426 /nfs/dbraw/zinc/84/84/26/502848426.db2.gz DCGNGQIPVHULPN-IBGZPJMESA-N 0 3 371.437 3.034 20 5 FGBDHN C[NH+](C)C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596289493 506343064 /nfs/dbraw/zinc/34/30/64/506343064.db2.gz QQLDBXQORYSFHQ-LBPRGKRZSA-N 0 3 350.806 3.106 20 5 FGBDHN COc1c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505596014 502944782 /nfs/dbraw/zinc/94/47/82/502944782.db2.gz IVSWYLHFJNACCK-SUMWQHHRSA-N 0 3 357.410 3.025 20 5 FGBDHN COC(=O)[C@@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC2 ZINC000506241273 503075552 /nfs/dbraw/zinc/07/55/52/503075552.db2.gz SWGVFBOXSQYGNY-INIZCTEOSA-N 0 3 362.426 3.157 20 5 FGBDHN Cc1ccc([C@H]2C[C@@H](C)N(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090276 503107770 /nfs/dbraw/zinc/10/77/70/503107770.db2.gz LESNQGZUVYWCNN-KDOFPFPSSA-N 0 3 353.422 3.380 20 5 FGBDHN Cc1ccc([C@H]2C[C@H](C)N(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090279 503107921 /nfs/dbraw/zinc/10/79/21/503107921.db2.gz LESNQGZUVYWCNN-KSSFIOAISA-N 0 3 353.422 3.380 20 5 FGBDHN COC[C@H](Cc1ccccc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501957528 503116017 /nfs/dbraw/zinc/11/60/17/503116017.db2.gz YFILOGNBBIAQNW-KRWDZBQOSA-N 0 3 371.437 3.113 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C)N(C)C ZINC000510524431 503133336 /nfs/dbraw/zinc/13/33/36/503133336.db2.gz LFOVLSJGKYXKHY-KBXCAEBGSA-N 0 3 356.426 3.028 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000510542113 503138650 /nfs/dbraw/zinc/13/86/50/503138650.db2.gz XHANWEMTCGHSSI-UGSOOPFHSA-N 0 3 359.401 3.464 20 5 FGBDHN CCn1nc(C)c(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000602924568 506354834 /nfs/dbraw/zinc/35/48/34/506354834.db2.gz FPZZSZOCGFHCKR-UHFFFAOYSA-N 0 3 373.457 3.197 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCN1C1CCCC1 ZINC000599166733 506355907 /nfs/dbraw/zinc/35/59/07/506355907.db2.gz ZIMLZTAVJQQUDL-LBPRGKRZSA-N 0 3 355.236 3.181 20 5 FGBDHN C[C@@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510935206 503221226 /nfs/dbraw/zinc/22/12/26/503221226.db2.gz RZSOECZPVZEEES-VQIMIIECSA-N 0 3 367.449 3.479 20 5 FGBDHN CC(F)(F)c1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000514933725 503230667 /nfs/dbraw/zinc/23/06/67/503230667.db2.gz WNOUPVYFVQYWEP-OAHLLOKOSA-N 0 3 366.364 3.236 20 5 FGBDHN CCN1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926446 503296381 /nfs/dbraw/zinc/29/63/81/503296381.db2.gz CDFHVPZQCAQTBD-LSDHHAIUSA-N 0 3 358.442 3.207 20 5 FGBDHN CCOc1cccc(N2CCC(CC)(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599183764 506363805 /nfs/dbraw/zinc/36/38/05/506363805.db2.gz UEWWCAIXWFFVKK-UHFFFAOYSA-N 0 3 363.458 3.075 20 5 FGBDHN CN(C)CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000511407436 503315309 /nfs/dbraw/zinc/31/53/09/503315309.db2.gz QPLZSIDVZQEBQY-UHFFFAOYSA-N 0 3 365.499 3.410 20 5 FGBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000503198776 503364952 /nfs/dbraw/zinc/36/49/52/503364952.db2.gz MXYOYOAYVHBTSF-HNNXBMFYSA-N 0 3 369.421 3.370 20 5 FGBDHN CN(CCc1ccc(Cl)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492396925 503367283 /nfs/dbraw/zinc/36/72/83/503367283.db2.gz DNTSNFJDNAXUEP-QGZVFWFLSA-N 0 3 364.829 3.162 20 5 FGBDHN COc1cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677105 503368128 /nfs/dbraw/zinc/36/81/28/503368128.db2.gz GARMXUXCJHYABH-RHSMWYFYSA-N 0 3 369.421 3.169 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515744991 503394350 /nfs/dbraw/zinc/39/43/50/503394350.db2.gz WCJCOHFMLZFWHX-HKUYNNGSSA-N 0 3 374.412 3.181 20 5 FGBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1CCOC ZINC000499640169 503447914 /nfs/dbraw/zinc/44/79/14/503447914.db2.gz FZAXOXVQQHFWLC-AWEZNQCLSA-N 0 3 373.400 3.133 20 5 FGBDHN C/C(=C\c1ccccc1)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235463 503509448 /nfs/dbraw/zinc/50/94/48/503509448.db2.gz WSWZCPQIHUBISN-QIPRVMPFSA-N 0 3 356.422 3.370 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000504027705 503513122 /nfs/dbraw/zinc/51/31/22/503513122.db2.gz VSGCDLNUIKYROH-UHFFFAOYSA-N 0 3 371.393 3.446 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000494373332 503532768 /nfs/dbraw/zinc/53/27/68/503532768.db2.gz XAAFWMODTRBJCS-MQIPJXDCSA-N 0 3 366.849 3.442 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000512875125 503649127 /nfs/dbraw/zinc/64/91/27/503649127.db2.gz ZBXOHSLQTDKLPO-XSVZSIDJSA-N 0 3 372.469 3.268 20 5 FGBDHN COC(=O)COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000540191053 503702308 /nfs/dbraw/zinc/70/23/08/503702308.db2.gz XOTVGWHCCVJAQT-AWEZNQCLSA-N 0 3 358.394 3.306 20 5 FGBDHN Cc1c(NC(=O)CCN(Cc2ccccc2)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000533295664 503794961 /nfs/dbraw/zinc/79/49/61/503794961.db2.gz HRMXDTRXMVFBJG-OAHLLOKOSA-N 0 3 371.437 3.115 20 5 FGBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543644525 503839497 /nfs/dbraw/zinc/83/94/97/503839497.db2.gz MPUSDZBGQBYWFM-AWEZNQCLSA-N 0 3 360.389 3.028 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000537210576 503843296 /nfs/dbraw/zinc/84/32/96/503843296.db2.gz KNYYGDHEHZGDNU-QLFBSQMISA-N 0 3 363.458 3.090 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000517877410 503855586 /nfs/dbraw/zinc/85/55/86/503855586.db2.gz RGOXAZSNTBOCJT-GDBMZVCRSA-N 0 3 369.421 3.169 20 5 FGBDHN COc1ccc(-c2ccc(CNCCN3CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000540802793 503898153 /nfs/dbraw/zinc/89/81/53/503898153.db2.gz LJJJZWXMQMZNNE-CQSZACIVSA-N 0 3 359.426 3.295 20 5 FGBDHN COc1cc(CCNc2ccnc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000518353015 503960937 /nfs/dbraw/zinc/96/09/37/503960937.db2.gz WPDOUEPPDINUAE-UHFFFAOYSA-N 0 3 353.378 3.237 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000541014654 503975327 /nfs/dbraw/zinc/97/53/27/503975327.db2.gz YLATWDJGGWWJMF-NEPJUHHUSA-N 0 3 371.384 3.046 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNCCOc1ncccc1C(F)(F)F ZINC000541775155 504250882 /nfs/dbraw/zinc/25/08/82/504250882.db2.gz UAPVIVOUKQOCNF-UHFFFAOYSA-N 0 3 355.316 3.486 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000544896572 504293931 /nfs/dbraw/zinc/29/39/31/504293931.db2.gz AHZJHQPOAJPRAS-INIZCTEOSA-N 0 3 365.393 3.419 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545148061 504375240 /nfs/dbraw/zinc/37/52/40/504375240.db2.gz DYJCJXCLQLNVEW-CQSZACIVSA-N 0 3 351.422 3.002 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000542276868 504435358 /nfs/dbraw/zinc/43/53/58/504435358.db2.gz FQTUSPIVILWNAP-GOSISDBHSA-N 0 3 374.412 3.386 20 5 FGBDHN Cc1ccc([C@@H](C)NCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000531944604 504482697 /nfs/dbraw/zinc/48/26/97/504482697.db2.gz IXNHVBKKUIAGAU-GOSISDBHSA-N 0 3 368.481 3.376 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000520497901 504513733 /nfs/dbraw/zinc/51/37/33/504513733.db2.gz KHVHBRVFGHANMV-HNNXBMFYSA-N 0 3 371.437 3.219 20 5 FGBDHN CSc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000520760901 504575813 /nfs/dbraw/zinc/57/58/13/504575813.db2.gz KCNMFDDLMRJPDL-CHWSQXEVSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000520854856 504597131 /nfs/dbraw/zinc/59/71/31/504597131.db2.gz HZQIMWSWPCTORF-CQSZACIVSA-N 0 3 360.458 3.019 20 5 FGBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])cn4C)n3)cc21 ZINC000545792111 504598435 /nfs/dbraw/zinc/59/84/35/504598435.db2.gz AGPWDDVQRPWZCF-CYBMUJFWSA-N 0 3 371.378 3.007 20 5 FGBDHN COCC[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536034213 504613452 /nfs/dbraw/zinc/61/34/52/504613452.db2.gz BLATXJIVAASRMS-SJLPKXTDSA-N 0 3 356.426 3.254 20 5 FGBDHN CN(C)CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1 ZINC000536479666 504744444 /nfs/dbraw/zinc/74/44/44/504744444.db2.gz CYQDFCXYDJPRKD-UHFFFAOYSA-N 0 3 352.394 3.285 20 5 FGBDHN COc1cc(N(C)CCCN(C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000553365712 504895673 /nfs/dbraw/zinc/89/56/73/504895673.db2.gz ZFMCKRXHUBTUBE-UHFFFAOYSA-N 0 3 351.378 3.294 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(CN2CCOCC2)cc1 ZINC000565493279 504903267 /nfs/dbraw/zinc/90/32/67/504903267.db2.gz WULJKVHYYYFCCD-FQEVSTJZSA-N 0 3 367.449 3.204 20 5 FGBDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553427531 504912047 /nfs/dbraw/zinc/91/20/47/504912047.db2.gz CZVFPDKWBBDAMQ-IAMHBRQHSA-N 0 3 374.412 3.387 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000553494157 504931112 /nfs/dbraw/zinc/93/11/12/504931112.db2.gz FSYDFRGAMXCXPZ-UHFFFAOYSA-N 0 3 363.458 3.332 20 5 FGBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000553668786 504978419 /nfs/dbraw/zinc/97/84/19/504978419.db2.gz YRZDLDHYSZPEJX-LJQANCHMSA-N 0 3 371.437 3.415 20 5 FGBDHN Cn1ccnc1[C@@H](NC[C@@H]1N(C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560536279 505117851 /nfs/dbraw/zinc/11/78/51/505117851.db2.gz JHRIVHCGSBMUBD-ROUUACIJSA-N 0 3 371.485 3.128 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000563419748 505137704 /nfs/dbraw/zinc/13/77/04/505137704.db2.gz YUGIFAOOIDIRCR-FXAWDEMLSA-N 0 3 367.449 3.073 20 5 FGBDHN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000554404512 505166368 /nfs/dbraw/zinc/16/63/68/505166368.db2.gz FJWCLRVSRDBHJS-KDOFPFPSSA-N 0 3 356.426 3.085 20 5 FGBDHN NC(=O)c1cccc(NCC2CCN(Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000563557565 505176206 /nfs/dbraw/zinc/17/62/06/505176206.db2.gz MMOHWAXZAFJBCV-UHFFFAOYSA-N 0 3 374.466 3.079 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000557837002 505241812 /nfs/dbraw/zinc/24/18/12/505241812.db2.gz ZSWJXQXGUALJRI-LBPRGKRZSA-N 0 3 351.834 3.195 20 5 FGBDHN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000557837000 505241774 /nfs/dbraw/zinc/24/17/74/505241774.db2.gz ZSWJXQXGUALJRI-GFCCVEGCSA-N 0 3 351.834 3.195 20 5 FGBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CCC2)C1 ZINC000557835762 505241989 /nfs/dbraw/zinc/24/19/89/505241989.db2.gz LPSPKLMWTLTWOV-ZDUSSCGKSA-N 0 3 365.861 3.124 20 5 FGBDHN CCN(CCN1CCCCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000563830279 505251645 /nfs/dbraw/zinc/25/16/45/505251645.db2.gz YFGGLMLOUZZYSR-UHFFFAOYSA-N 0 3 358.442 3.414 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000561392912 505334346 /nfs/dbraw/zinc/33/43/46/505334346.db2.gz QSMOJYQGGOEYJX-RRQGHBQHSA-N 0 3 361.442 3.249 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000561762124 505430068 /nfs/dbraw/zinc/43/00/68/505430068.db2.gz PYXLFNQKFXTYAJ-GDZNZVCISA-N 0 3 359.470 3.322 20 5 FGBDHN Cn1ccnc1[C@@H](NC[C@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552265362 505445305 /nfs/dbraw/zinc/44/53/05/505445305.db2.gz UXDMNFIZHCLHNQ-MSOLQXFVSA-N 0 3 371.485 3.128 20 5 FGBDHN Cc1cc(NC[C@]2(CO)C[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000564568714 505455949 /nfs/dbraw/zinc/45/59/49/505455949.db2.gz UDULRINQEGMNTQ-NQIIRXRSSA-N 0 3 363.417 3.451 20 5 FGBDHN CC[C@H](c1ccccc1OC)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000561955911 505477303 /nfs/dbraw/zinc/47/73/03/505477303.db2.gz AHMWWGNJEUDASF-QFBILLFUSA-N 0 3 374.437 3.426 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000596437060 506404284 /nfs/dbraw/zinc/40/42/84/506404284.db2.gz QOZKYAVXUYRUHK-UHFFFAOYSA-N 0 3 356.426 3.323 20 5 FGBDHN COc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000593126480 506409262 /nfs/dbraw/zinc/40/92/62/506409262.db2.gz VVLQRUKXHMDIIG-WDEREUQCSA-N 0 3 362.304 3.290 20 5 FGBDHN CC[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612077608 506423592 /nfs/dbraw/zinc/42/35/92/506423592.db2.gz ANZWDXZIJONKDD-WMZOPIPTSA-N 0 3 356.422 3.344 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512574 506480073 /nfs/dbraw/zinc/48/00/73/506480073.db2.gz KRJWSPGTSDWJOE-RYUDHWBXSA-N 0 3 371.384 3.155 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599513748 506480352 /nfs/dbraw/zinc/48/03/52/506480352.db2.gz TZVYXMMMJKFGIZ-RYUDHWBXSA-N 0 3 371.384 3.155 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000589278692 506505457 /nfs/dbraw/zinc/50/54/57/506505457.db2.gz FSJDQWZGPJGOIO-HXUWFJFHSA-N 0 3 354.406 3.443 20 5 FGBDHN COC(=O)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599656780 506558792 /nfs/dbraw/zinc/55/87/92/506558792.db2.gz IVUVXSBYMMJKSL-KSZLIROESA-N 0 3 362.426 3.027 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596843048 506632629 /nfs/dbraw/zinc/63/26/29/506632629.db2.gz DKWXKKVAOMSJCS-INIZCTEOSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000603875431 506644627 /nfs/dbraw/zinc/64/46/27/506644627.db2.gz JTCPXYLJLYOQFE-HOTGVXAUSA-N 0 3 374.485 3.045 20 5 FGBDHN O=[N+]([O-])c1ccccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593496904 506653919 /nfs/dbraw/zinc/65/39/19/506653919.db2.gz XXWWZLMYMRYWOA-UXHICEINSA-N 0 3 353.422 3.075 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950165 506686009 /nfs/dbraw/zinc/68/60/09/506686009.db2.gz WBQDECYNRSWHMY-WBIUFABUSA-N 0 3 362.348 3.490 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000599985327 506736826 /nfs/dbraw/zinc/73/68/26/506736826.db2.gz CDUHRGKKSUSAOJ-UHFFFAOYSA-N 0 3 359.348 3.170 20 5 FGBDHN CCN1CCC(N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609027061 506765011 /nfs/dbraw/zinc/76/50/11/506765011.db2.gz GPDXGTYZVJPFMC-CYBMUJFWSA-N 0 3 351.472 3.018 20 5 FGBDHN CCOC(=O)c1cccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000600138371 506799426 /nfs/dbraw/zinc/79/94/26/506799426.db2.gz IJJQRVHOOMWTMJ-UHFFFAOYSA-N 0 3 363.801 3.152 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000604475085 506842841 /nfs/dbraw/zinc/84/28/41/506842841.db2.gz HTVSEYDAEPWWIA-LJQANCHMSA-N 0 3 370.453 3.259 20 5 FGBDHN CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000590532326 506852200 /nfs/dbraw/zinc/85/22/00/506852200.db2.gz CUVVVWGLHRTWKR-QGZVFWFLSA-N 0 3 359.451 3.349 20 5 FGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228455 506859895 /nfs/dbraw/zinc/85/98/95/506859895.db2.gz AVBNCKJEMKPMIH-KRWDZBQOSA-N 0 3 370.453 3.142 20 5 FGBDHN C[C@@H](C(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600231047 506861399 /nfs/dbraw/zinc/86/13/99/506861399.db2.gz ZZWVZSIDPORYEQ-CJNGLKHVSA-N 0 3 363.433 3.361 20 5 FGBDHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000600230994 506861536 /nfs/dbraw/zinc/86/15/36/506861536.db2.gz XNUUUBJPXQNGNV-INIZCTEOSA-N 0 3 361.442 3.049 20 5 FGBDHN C[C@@H]1CN2CCCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767148 506993538 /nfs/dbraw/zinc/99/35/38/506993538.db2.gz QEOSAIXTFJBYLE-CRAIPNDOSA-N 0 3 370.453 3.351 20 5 FGBDHN CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000609766321 506993578 /nfs/dbraw/zinc/99/35/78/506993578.db2.gz NGYIGESKRHGELI-UHFFFAOYSA-N 0 3 361.320 3.167 20 5 FGBDHN CC(C)(C(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594195092 506999978 /nfs/dbraw/zinc/99/99/78/506999978.db2.gz BXAIJRWNIRFIHI-IRXDYDNUSA-N 0 3 363.433 3.145 20 5 FGBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000597714152 507071388 /nfs/dbraw/zinc/07/13/88/507071388.db2.gz GUABSQCNCLKOMF-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN O=C(CCN1CCC[C@H]1c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591017552 507079285 /nfs/dbraw/zinc/07/92/85/507079285.db2.gz VUPJVKSRFUZWJV-SFHVURJKSA-N 0 3 355.394 3.466 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCc2ccccc2NC1=O ZINC000594510308 507161445 /nfs/dbraw/zinc/16/14/45/507161445.db2.gz IFVOAUSNOWWGQD-KDOFPFPSSA-N 0 3 353.422 3.459 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597924394 507178062 /nfs/dbraw/zinc/17/80/62/507178062.db2.gz QOMGWBHTISFYSJ-ZDUSSCGKSA-N 0 3 374.466 3.321 20 5 FGBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000610468888 507252177 /nfs/dbraw/zinc/25/21/77/507252177.db2.gz RCMHGFNTMNMMDS-CQSZACIVSA-N 0 3 371.466 3.405 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1SCCc3ccccc31)OCCO2 ZINC000610517949 507275140 /nfs/dbraw/zinc/27/51/40/507275140.db2.gz PZRBFVYLYCZTNH-IBGZPJMESA-N 0 3 372.446 3.486 20 5 FGBDHN COc1cc(CN[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000601139713 507275344 /nfs/dbraw/zinc/27/53/44/507275344.db2.gz IFFFHCBFBFYBFW-WOVMCDHWSA-N 0 3 372.421 3.043 20 5 FGBDHN COc1ccc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610543128 507284913 /nfs/dbraw/zinc/28/49/13/507284913.db2.gz MZSPYAJRAFSTQC-GOSISDBHSA-N 0 3 355.438 3.310 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000584376608 507310352 /nfs/dbraw/zinc/31/03/52/507310352.db2.gz YNWXVCLXISPNKF-OAHLLOKOSA-N 0 3 373.478 3.324 20 5 FGBDHN COc1ccc2c(c1)OCC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591744238 507344157 /nfs/dbraw/zinc/34/41/57/507344157.db2.gz JEDADADDTRFITO-HNNXBMFYSA-N 0 3 371.393 3.045 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(Cc2ccncc2)CC1 ZINC000595010418 507351637 /nfs/dbraw/zinc/35/16/37/507351637.db2.gz CGKMQHOGXYMLNA-HNNXBMFYSA-N 0 3 370.453 3.314 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000595052223 507370431 /nfs/dbraw/zinc/37/04/31/507370431.db2.gz RLMKKNLIKZZNGR-ADLFWFRXSA-N 0 3 356.422 3.420 20 5 FGBDHN Cc1noc(CN(C)CCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000595411671 507484986 /nfs/dbraw/zinc/48/49/86/507484986.db2.gz ZTCPTHHSMAHRIT-UHFFFAOYSA-N 0 3 359.430 3.025 20 5 FGBDHN CCc1cc(N2CCN(CC)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611084810 507509369 /nfs/dbraw/zinc/50/93/69/507509369.db2.gz WMEQLEOETMNSSN-AWEZNQCLSA-N 0 3 355.442 3.145 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592155179 507512109 /nfs/dbraw/zinc/51/21/09/507512109.db2.gz LLQDRPSEIAPENU-DOTOQJQBSA-N 0 3 353.422 3.294 20 5 FGBDHN CC(C)n1cc(C2=CCCN(CCOc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595515215 507540556 /nfs/dbraw/zinc/54/05/56/507540556.db2.gz MHIUJTFFAFGNPB-UHFFFAOYSA-N 0 3 371.441 3.325 20 5 FGBDHN Cc1cccc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000611197597 507558304 /nfs/dbraw/zinc/55/83/04/507558304.db2.gz QNIQJMCPIHOWSZ-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN CC(C)(CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@]1(O)CCOC1 ZINC000592375589 507625237 /nfs/dbraw/zinc/62/52/37/507625237.db2.gz VAXMYQZGILJUFQ-LJQANCHMSA-N 0 3 360.410 3.122 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595747100 507663409 /nfs/dbraw/zinc/66/34/09/507663409.db2.gz GDVSGEXNWGNEBF-FXAWDEMLSA-N 0 3 356.422 3.072 20 5 FGBDHN CC(C)C[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611471543 507696583 /nfs/dbraw/zinc/69/65/83/507696583.db2.gz ZWYNVFPUJLQNIA-LSDHHAIUSA-N 0 3 350.415 3.049 20 5 FGBDHN COc1cc(CN[C@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000592534107 507699610 /nfs/dbraw/zinc/69/96/10/507699610.db2.gz XKSCGPWNTHVLFS-KOLCDFICSA-N 0 3 362.398 3.231 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000595831043 507704753 /nfs/dbraw/zinc/70/47/53/507704753.db2.gz LAOJTOUSOIEUAH-QGZVFWFLSA-N 0 3 369.421 3.385 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Oc2ccccc2)C1 ZINC000595830471 507705002 /nfs/dbraw/zinc/70/50/02/507705002.db2.gz FEMNZALYGPEKSW-GOSISDBHSA-N 0 3 369.421 3.385 20 5 FGBDHN NCc1cccc2c1N(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000602539055 507742646 /nfs/dbraw/zinc/74/26/46/507742646.db2.gz ATULEVQJEKJJII-UHFFFAOYSA-N 0 3 359.813 3.229 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1 ZINC000110355760 700540753 /nfs/dbraw/zinc/54/07/53/700540753.db2.gz GZZGXOHCLBEOID-CYBMUJFWSA-N 0 3 361.829 3.499 20 5 FGBDHN CC1(C)C[C@@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000781917927 724612270 /nfs/dbraw/zinc/61/22/70/724612270.db2.gz NIAHLIFUGFTXCH-CYBMUJFWSA-N 0 3 355.822 3.122 20 5 FGBDHN C[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000731942026 722479712 /nfs/dbraw/zinc/47/97/12/722479712.db2.gz DPHYSACZMFPMHJ-AWEZNQCLSA-N 0 3 358.467 3.402 20 5 FGBDHN CCOC(=O)NC1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000791011439 723205358 /nfs/dbraw/zinc/20/53/58/723205358.db2.gz UCHGOCKBAOEDSQ-UHFFFAOYSA-N 0 3 355.822 3.395 20 5 FGBDHN COC1CCC(N(C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634298 723912449 /nfs/dbraw/zinc/91/24/49/723912449.db2.gz CWADXSWMYQRMQW-UHFFFAOYSA-N 0 3 352.822 3.445 20 5 FGBDHN CN(CCOc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273872 724126857 /nfs/dbraw/zinc/12/68/57/724126857.db2.gz DRIRTGCOMGZKLA-INIZCTEOSA-N 0 3 350.802 3.292 20 5 FGBDHN O=[N+]([O-])c1cc2cnn(CN3CCC[C@@H]3C3CCOCC3)c2c(Cl)c1 ZINC000776772896 724181209 /nfs/dbraw/zinc/18/12/09/724181209.db2.gz UCEWNNLMEVWGOS-MRXNPFEDSA-N 0 3 364.833 3.446 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](CO)Cc1ccco1 ZINC000811484241 725368558 /nfs/dbraw/zinc/36/85/58/725368558.db2.gz SHZPSWAPCLEIGC-SNVBAGLBSA-N 0 3 359.209 3.435 20 5 FGBDHN CCOc1ccc(-c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s2)cc1 ZINC000813115335 726840793 /nfs/dbraw/zinc/84/07/93/726840793.db2.gz PFCSSBURNLUIIY-SNVBAGLBSA-N 0 3 350.396 3.339 20 5 FGBDHN CC(COC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000842364213 730490262 /nfs/dbraw/zinc/49/02/62/730490262.db2.gz UHRAOWINPUATTH-NWDGAFQWSA-N 0 3 352.387 3.094 20 5 FGBDHN CCOC(=O)C(C)(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883543 730906138 /nfs/dbraw/zinc/90/61/38/730906138.db2.gz UOAWVYVKNMBYLR-NHYWBVRUSA-N 0 3 355.362 3.055 20 5 FGBDHN C[C@H](COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000847962850 731115165 /nfs/dbraw/zinc/11/51/65/731115165.db2.gz LACIRZBQAYSPNP-LLVKDONJSA-N 0 3 358.341 3.227 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1Cl ZINC000863031717 732906711 /nfs/dbraw/zinc/90/67/11/732906711.db2.gz ITDMODUGSTYJJH-ZDUSSCGKSA-N 0 3 351.834 3.303 20 5 FGBDHN CO[C@@]1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000896568021 742565587 /nfs/dbraw/zinc/56/55/87/742565587.db2.gz QBVRYWNJEFJKRI-CYBMUJFWSA-N 0 3 350.362 3.225 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCN1C1CCOCC1 ZINC000897227061 742656039 /nfs/dbraw/zinc/65/60/39/742656039.db2.gz AKHJQXGCWXPMEN-CQSZACIVSA-N 0 3 374.268 3.245 20 5 FGBDHN CN(Cn1cc(Br)c([N+](=O)[O-])n1)C1C2CC3CC(C2)CC1C3 ZINC000917615886 758250202 /nfs/dbraw/zinc/25/02/02/758250202.db2.gz WVQBAENTDIOXLL-UHFFFAOYSA-N 0 3 369.263 3.268 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000533806955 503956908 /nfs/dbraw/zinc/95/69/08/503956908.db2.gz SSASQQVIJZIYOK-UHFFFAOYSA-N 0 3 354.410 3.247 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(c2ccccn2)C1 ZINC000579854661 505633282 /nfs/dbraw/zinc/63/32/82/505633282.db2.gz HUALGFLVSHEYJP-UHFFFAOYSA-N 0 3 366.421 3.416 20 5 FGBDHN CN(C)CCOc1cccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000577027879 505647969 /nfs/dbraw/zinc/64/79/69/505647969.db2.gz CSQNZUHUWHEIKP-QZTJIDSGSA-N 0 3 373.457 3.328 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000580114197 505679943 /nfs/dbraw/zinc/67/99/43/505679943.db2.gz MHAJPUHSHAPRDX-DNVCBOLYSA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000080903373 493788439 /nfs/dbraw/zinc/78/84/39/493788439.db2.gz RKVNLMOSLRPBHE-DJJJIMSYSA-N 0 3 363.458 3.009 20 5 FGBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000049981914 493888435 /nfs/dbraw/zinc/88/84/35/493888435.db2.gz ITBDINDNEURPMV-MRXNPFEDSA-N 0 3 374.485 3.120 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000060369965 493927909 /nfs/dbraw/zinc/92/79/09/493927909.db2.gz AEDPTIQFPGTHJY-QGZVFWFLSA-N 0 3 368.437 3.418 20 5 FGBDHN Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000005537053 493934726 /nfs/dbraw/zinc/93/47/26/493934726.db2.gz VOQYZOOBSMBLRS-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN COc1ccc(CNC[C@H](O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000571257309 505691031 /nfs/dbraw/zinc/69/10/31/505691031.db2.gz NKJKNNPBYWKQAX-LJQANCHMSA-N 0 3 366.417 3.450 20 5 FGBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052894908 494073341 /nfs/dbraw/zinc/07/33/41/494073341.db2.gz QJZVXHCKRHLSSY-OAHLLOKOSA-N 0 3 364.405 3.080 20 5 FGBDHN COc1cc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1C ZINC000571282256 505698091 /nfs/dbraw/zinc/69/80/91/505698091.db2.gz FQSBXNCSPMICCA-QGZVFWFLSA-N 0 3 371.437 3.465 20 5 FGBDHN CN1CCC(N(Cc2ccco2)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000071838613 494104091 /nfs/dbraw/zinc/10/40/91/494104091.db2.gz WBSFFPLJONXRNI-CMDGGOBGSA-N 0 3 369.421 3.324 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000065141020 494175592 /nfs/dbraw/zinc/17/55/92/494175592.db2.gz PJGXJJQMFLPVBI-UKRRQHHQSA-N 0 3 357.385 3.299 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087208628 494182900 /nfs/dbraw/zinc/18/29/00/494182900.db2.gz MMTGMVQRTPORCP-UHFFFAOYSA-N 0 3 373.428 3.257 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087404450 494201146 /nfs/dbraw/zinc/20/11/46/494201146.db2.gz WQNMDINXSIUSJD-HXUWFJFHSA-N 0 3 367.449 3.260 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000088719969 494256853 /nfs/dbraw/zinc/25/68/53/494256853.db2.gz AYSWVFNLBMKPFT-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C(C)C)C1 ZINC000072836711 494261708 /nfs/dbraw/zinc/26/17/08/494261708.db2.gz KFBWTYHWWWHJHO-INIZCTEOSA-N 0 3 367.471 3.005 20 5 FGBDHN COC(=O)[C@H](C)[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000089140987 494268582 /nfs/dbraw/zinc/26/85/82/494268582.db2.gz NCVNBDDZHONGLG-KDOFPFPSSA-N 0 3 358.394 3.114 20 5 FGBDHN COC(=O)[C@@H](C)[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000089140989 494268776 /nfs/dbraw/zinc/26/87/76/494268776.db2.gz NCVNBDDZHONGLG-KBXCAEBGSA-N 0 3 358.394 3.114 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000073003477 494303800 /nfs/dbraw/zinc/30/38/00/494303800.db2.gz KHTLBLCSLVBKBE-UHFFFAOYSA-N 0 3 357.414 3.009 20 5 FGBDHN CCOc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644038 494338350 /nfs/dbraw/zinc/33/83/50/494338350.db2.gz CVKCEVRRBIITEE-MSOLQXFVSA-N 0 3 371.437 3.041 20 5 FGBDHN CCN1CCN(CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000078745030 494355100 /nfs/dbraw/zinc/35/51/00/494355100.db2.gz MJBJWTWGJDNKPL-UHFFFAOYSA-N 0 3 360.380 3.053 20 5 FGBDHN CN(CCC(N)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000571365463 505715509 /nfs/dbraw/zinc/71/55/09/505715509.db2.gz NACGIAGMGIJJAG-UHFFFAOYSA-N 0 3 363.801 3.348 20 5 FGBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079561685 494482841 /nfs/dbraw/zinc/48/28/41/494482841.db2.gz LCYKQGADPCPTCL-NSHDSACASA-N 0 3 359.348 3.075 20 5 FGBDHN Cc1ccc([C@@H](C)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000090937967 494505078 /nfs/dbraw/zinc/50/50/78/494505078.db2.gz DAMHQMIYFKYULW-LSDHHAIUSA-N 0 3 366.421 3.352 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000079686373 494507815 /nfs/dbraw/zinc/50/78/15/494507815.db2.gz PHKZLDRRGZRNCA-RDJZCZTQSA-N 0 3 353.422 3.378 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](N4CCCCC4)C3)o2)cc1 ZINC000107795815 494600836 /nfs/dbraw/zinc/60/08/36/494600836.db2.gz FWVOOFSOALUXFH-QGZVFWFLSA-N 0 3 371.441 3.095 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000067722656 494625205 /nfs/dbraw/zinc/62/52/05/494625205.db2.gz VWFCSDLZVVKNLR-IBGZPJMESA-N 0 3 368.437 3.231 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000091631534 494635542 /nfs/dbraw/zinc/63/55/42/494635542.db2.gz AMPBUTGGVTVXCW-OAHLLOKOSA-N 0 3 371.441 3.170 20 5 FGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472121 494637862 /nfs/dbraw/zinc/63/78/62/494637862.db2.gz AAAGVJCAPIQAQY-BQHJZSHBSA-N 0 3 356.422 3.118 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025308637 494721663 /nfs/dbraw/zinc/72/16/63/494721663.db2.gz SKEAIBULBUQXFB-IEBWSBKVSA-N 0 3 360.385 3.311 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](Cn3ccnn3)C2)o1 ZINC000092070192 494777838 /nfs/dbraw/zinc/77/78/38/494777838.db2.gz NJVJLXJVSVJKNQ-HNNXBMFYSA-N 0 3 367.409 3.359 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017669 494809895 /nfs/dbraw/zinc/80/98/95/494809895.db2.gz CNRNWHPYSQSHEJ-GOSISDBHSA-N 0 3 361.486 3.262 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000026221419 494810443 /nfs/dbraw/zinc/81/04/43/494810443.db2.gz FBLHCCPSIJXLTC-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132821602 494929679 /nfs/dbraw/zinc/92/96/79/494929679.db2.gz XCPMRVHBZQGHDF-OAHLLOKOSA-N 0 3 360.458 3.143 20 5 FGBDHN COC[C@H](O)CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000117946690 494966062 /nfs/dbraw/zinc/96/60/62/494966062.db2.gz YUUQODSLQPKXEK-OAHLLOKOSA-N 0 3 362.451 3.151 20 5 FGBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC)c1ccco1 ZINC000110319317 494968907 /nfs/dbraw/zinc/96/89/07/494968907.db2.gz IXBZHBINRYKFDH-INIZCTEOSA-N 0 3 360.414 3.042 20 5 FGBDHN CCOc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000097041219 495020848 /nfs/dbraw/zinc/02/08/48/495020848.db2.gz RPTSWWCPUPKUCR-UHFFFAOYSA-N 0 3 363.458 3.186 20 5 FGBDHN O=C(CN[C@H]1CCC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000133536441 495025628 /nfs/dbraw/zinc/02/56/28/495025628.db2.gz SNJQCIUUZHENKG-MOPGFXCFSA-N 0 3 365.433 3.410 20 5 FGBDHN O=C1[C@@H](N[C@H](c2ccccc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128101704 495044151 /nfs/dbraw/zinc/04/41/51/495044151.db2.gz UESIVNYTNAIBOL-RBUKOAKNSA-N 0 3 351.406 3.441 20 5 FGBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1CN1CCCCC1 ZINC000128243137 495066689 /nfs/dbraw/zinc/06/66/89/495066689.db2.gz XJGGSYRXXPAWNP-KRWDZBQOSA-N 0 3 370.453 3.096 20 5 FGBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000134713998 495190355 /nfs/dbraw/zinc/19/03/55/495190355.db2.gz FDJHQBKWRZVAHX-UHFFFAOYSA-N 0 3 356.426 3.180 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000103145473 495199492 /nfs/dbraw/zinc/19/94/92/495199492.db2.gz BLJRMCKLZZMKJN-UHFFFAOYSA-N 0 3 357.410 3.372 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000103175571 495201421 /nfs/dbraw/zinc/20/14/21/495201421.db2.gz IGEHNYOVEWREHW-UHFFFAOYSA-N 0 3 356.426 3.499 20 5 FGBDHN CN(C)CCn1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000119729975 495228065 /nfs/dbraw/zinc/22/80/65/495228065.db2.gz OTIJPMDVGMKXHG-UHFFFAOYSA-N 0 3 372.454 3.089 20 5 FGBDHN CN(C)CCn1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000119774901 495238290 /nfs/dbraw/zinc/23/82/90/495238290.db2.gz SCHZCACLWXBCEO-UHFFFAOYSA-N 0 3 355.398 3.225 20 5 FGBDHN CCCC[C@@H](NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000135168494 495258000 /nfs/dbraw/zinc/25/80/00/495258000.db2.gz MDBURIBPLKZJGL-MRXNPFEDSA-N 0 3 360.414 3.221 20 5 FGBDHN COc1cccc([C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N(C)C)c1 ZINC000129752716 495290288 /nfs/dbraw/zinc/29/02/88/495290288.db2.gz IVLFSOVYQLJTLK-HNNXBMFYSA-N 0 3 350.806 3.367 20 5 FGBDHN Cn1cc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000113333409 495297956 /nfs/dbraw/zinc/29/79/56/495297956.db2.gz CAOUTYXBHKBFIA-UHFFFAOYSA-N 0 3 357.439 3.174 20 5 FGBDHN COc1ccc(CNCC(C)(C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000136081828 495355220 /nfs/dbraw/zinc/35/52/20/495355220.db2.gz DGCSMFOYWGIFJV-UHFFFAOYSA-N 0 3 374.437 3.291 20 5 FGBDHN Cn1cnnc1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000130591977 495416393 /nfs/dbraw/zinc/41/63/93/495416393.db2.gz POZYSIGKZWVGRM-UHFFFAOYSA-N 0 3 367.409 3.363 20 5 FGBDHN CC(C)N1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000114774338 495423804 /nfs/dbraw/zinc/42/38/04/495423804.db2.gz DEJYFMXGGYVFMY-HNNXBMFYSA-N 0 3 359.451 3.422 20 5 FGBDHN COc1cc(CNCC[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000114770885 495423821 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Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N2CCCC2)cc1 ZINC000143190315 495531052 /nfs/dbraw/zinc/53/10/52/495531052.db2.gz KSJJISFQEHSULY-IBGZPJMESA-N 0 3 368.437 3.174 20 5 FGBDHN CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182399554 495548517 /nfs/dbraw/zinc/54/85/17/495548517.db2.gz HVRGGBHHBDAFGH-NVXWUHKLSA-N 0 3 374.437 3.473 20 5 FGBDHN COc1cc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000179375607 495566898 /nfs/dbraw/zinc/56/68/98/495566898.db2.gz ZVEUXVAYIPSJTC-SFHVURJKSA-N 0 3 358.394 3.007 20 5 FGBDHN C[C@H](O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000170691623 495568320 /nfs/dbraw/zinc/56/83/20/495568320.db2.gz CHCLVVHPCPAVGQ-LBPRGKRZSA-N 0 3 369.849 3.202 20 5 FGBDHN Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000147767668 495578215 /nfs/dbraw/zinc/57/82/15/495578215.db2.gz ICZUSVVFOLURAY-UHFFFAOYSA-N 0 3 353.422 3.081 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](OCCO)C3)s2)cc1 ZINC000179571617 495644510 /nfs/dbraw/zinc/64/45/10/495644510.db2.gz UVGZQNHQZYLJIM-MRXNPFEDSA-N 0 3 362.451 3.297 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCC(O)(c2cccnc2)CC1 ZINC000185692138 495682275 /nfs/dbraw/zinc/68/22/75/495682275.db2.gz GDFCLLVLSISVSO-UHFFFAOYSA-N 0 3 371.437 3.309 20 5 FGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC(F)F ZINC000179713872 495701804 /nfs/dbraw/zinc/70/18/04/495701804.db2.gz NSIHNAQVIYXEEX-CQSZACIVSA-N 0 3 367.352 3.099 20 5 FGBDHN C[C@H](CN1CCCC1=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171050811 495703497 /nfs/dbraw/zinc/70/34/97/495703497.db2.gz BJIOIKPWAVHHHW-CYBMUJFWSA-N 0 3 359.451 3.424 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000176740110 495769321 /nfs/dbraw/zinc/76/93/21/495769321.db2.gz XBAXFGNTESRHQW-UHFFFAOYSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(N(C)C)c1 ZINC000159787208 495808202 /nfs/dbraw/zinc/80/82/02/495808202.db2.gz FXLAQBVJBVEQHS-UHFFFAOYSA-N 0 3 370.453 3.430 20 5 FGBDHN Cc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000151362242 495815295 /nfs/dbraw/zinc/81/52/95/495815295.db2.gz HNGNZGLKINNMTE-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN C[C@@H]1C[C@@H]1[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000180034207 495831516 /nfs/dbraw/zinc/83/15/16/495831516.db2.gz QHUDBUAQXSQACQ-PZPSRYQVSA-N 0 3 361.829 3.397 20 5 FGBDHN CCc1ccc(C(=O)Nc2ccnn2C2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174171916 495849310 /nfs/dbraw/zinc/84/93/10/495849310.db2.gz OROKMBYYUJTUQA-UHFFFAOYSA-N 0 3 371.441 3.263 20 5 FGBDHN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1Oc2ccccc2O[C@H]1C ZINC000171446513 495878182 /nfs/dbraw/zinc/87/81/82/495878182.db2.gz SPUSHQPBBFQKAQ-PZROIBLQSA-N 0 3 354.362 3.101 20 5 FGBDHN CCN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000186307992 495939759 /nfs/dbraw/zinc/93/97/59/495939759.db2.gz PQVRAQGXKRRIKE-KRWDZBQOSA-N 0 3 353.422 3.331 20 5 FGBDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000155550006 495991146 /nfs/dbraw/zinc/99/11/46/495991146.db2.gz JJIYLJMHBQHLDP-OAHLLOKOSA-N 0 3 357.410 3.203 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@@H](OCCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000177375588 496037657 /nfs/dbraw/zinc/03/76/57/496037657.db2.gz VVFUBOFRFQOLMT-MRXNPFEDSA-N 0 3 363.458 3.369 20 5 FGBDHN CC[C@](C)(CO)NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000152174840 496069691 /nfs/dbraw/zinc/06/96/91/496069691.db2.gz DUGDZMGXYYFFEQ-HXUWFJFHSA-N 0 3 374.437 3.433 20 5 FGBDHN Cc1cccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC000183712173 496088727 /nfs/dbraw/zinc/08/87/27/496088727.db2.gz WYZCELPTVRAUPQ-HNNXBMFYSA-N 0 3 353.422 3.452 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000155985103 496125760 /nfs/dbraw/zinc/12/57/60/496125760.db2.gz WRSIOLOTZFAMBQ-IBGZPJMESA-N 0 3 366.421 3.417 20 5 FGBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000183888130 496148097 /nfs/dbraw/zinc/14/80/97/496148097.db2.gz PRPDVOBVTXBABB-GJZGRUSLSA-N 0 3 373.428 3.474 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174955334 496181387 /nfs/dbraw/zinc/18/13/87/496181387.db2.gz WZHIOMAVCNPARD-MRXNPFEDSA-N 0 3 371.412 3.328 20 5 FGBDHN Cc1ccc([C@H](C)NCc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000177773517 496189906 /nfs/dbraw/zinc/18/99/06/496189906.db2.gz SMDVHPYRQHDBEZ-HNNXBMFYSA-N 0 3 351.410 3.394 20 5 FGBDHN CCOc1ccc([C@H](C)NCCCN2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000152589367 496196514 /nfs/dbraw/zinc/19/65/14/496196514.db2.gz QCTFSQAMTOURBX-HNNXBMFYSA-N 0 3 363.458 3.437 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)c2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000177846498 496220676 /nfs/dbraw/zinc/22/06/76/496220676.db2.gz BBMZTGRYAWYOIJ-HNNXBMFYSA-N 0 3 371.437 3.335 20 5 FGBDHN CCN1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 ZINC000184265039 496310502 /nfs/dbraw/zinc/31/05/02/496310502.db2.gz XLCJINDYHYJPMX-UHFFFAOYSA-N 0 3 360.439 3.051 20 5 FGBDHN CCOc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187253740 496361294 /nfs/dbraw/zinc/36/12/94/496361294.db2.gz HQUIZRNKBKVMSG-LIRRHRJNSA-N 0 3 371.437 3.415 20 5 FGBDHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178222254 496374862 /nfs/dbraw/zinc/37/48/62/496374862.db2.gz RGULMXCDMKKHLE-YOEHRIQHSA-N 0 3 361.467 3.380 20 5 FGBDHN CN(C)C(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000162593933 496379578 /nfs/dbraw/zinc/37/95/78/496379578.db2.gz HAZXTYUBVFMRQZ-UHFFFAOYSA-N 0 3 357.410 3.155 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000181488164 496416748 /nfs/dbraw/zinc/41/67/48/496416748.db2.gz UAEKCWKTBDVFEO-LJQANCHMSA-N 0 3 359.401 3.417 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000172769894 496423773 /nfs/dbraw/zinc/42/37/73/496423773.db2.gz RFGNMYCDEOYHAY-UHFFFAOYSA-N 0 3 353.422 3.081 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000181558213 496445397 /nfs/dbraw/zinc/44/53/97/496445397.db2.gz UDGVFNMVAIJQRV-GOSISDBHSA-N 0 3 369.421 3.153 20 5 FGBDHN CC[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163808430 496560720 /nfs/dbraw/zinc/56/07/20/496560720.db2.gz YFVPHDSSXNHYIA-LJQANCHMSA-N 0 3 371.437 3.303 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000181831117 496563467 /nfs/dbraw/zinc/56/34/67/496563467.db2.gz VLCFWOMFNFCLDC-HIFRSBDPSA-N 0 3 350.440 3.193 20 5 FGBDHN COC[C@](C)(CCO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000175856092 496574768 /nfs/dbraw/zinc/57/47/68/496574768.db2.gz MZOAFMNTIIQZNL-KRWDZBQOSA-N 0 3 368.817 3.385 20 5 FGBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000153795240 496581473 /nfs/dbraw/zinc/58/14/73/496581473.db2.gz SWKZYRHDNSSXGZ-CQSZACIVSA-N 0 3 361.833 3.139 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CCCC2)C1 ZINC000173255780 496614158 /nfs/dbraw/zinc/61/41/58/496614158.db2.gz BELRLFFUDYLXIX-HNNXBMFYSA-N 0 3 363.483 3.068 20 5 FGBDHN CC1(C)[C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000153914293 496622438 /nfs/dbraw/zinc/62/24/38/496622438.db2.gz RZWNUIHXDIEZSA-SWHYSGLUSA-N 0 3 355.232 3.260 20 5 FGBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(Br)c1 ZINC000182036199 496644865 /nfs/dbraw/zinc/64/48/65/496644865.db2.gz POSQUDZVVGKLJM-AWEZNQCLSA-N 0 3 371.210 3.434 20 5 FGBDHN CSc1cccc(C(=O)NCc2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000188019171 496654318 /nfs/dbraw/zinc/65/43/18/496654318.db2.gz JRVIHSNNMHSIDH-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccc(F)cc1)C1CC1 ZINC000182189027 496701480 /nfs/dbraw/zinc/70/14/80/496701480.db2.gz QOVQDMLQWMGNJD-KRWDZBQOSA-N 0 3 360.385 3.138 20 5 FGBDHN COCCC1(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CCCCC1 ZINC000185229034 496711046 /nfs/dbraw/zinc/71/10/46/496711046.db2.gz MSMDYNRAFSHQSW-UHFFFAOYSA-N 0 3 352.431 3.386 20 5 FGBDHN CCC[C@@]1(COC)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000194928096 496763853 /nfs/dbraw/zinc/76/38/53/496763853.db2.gz PVSSLHFUWYFYAW-SFHVURJKSA-N 0 3 360.414 3.426 20 5 FGBDHN CSc1cccc(C(=O)N[C@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000188427931 496787324 /nfs/dbraw/zinc/78/73/24/496787324.db2.gz NAYZAKFJSGILGT-CYBMUJFWSA-N 0 3 351.472 3.311 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000247331314 496836477 /nfs/dbraw/zinc/83/64/77/496836477.db2.gz ISCUVVIPXUHSIJ-VNHYZAJKSA-N 0 3 351.472 3.017 20 5 FGBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CNCC3)cc1SC ZINC000269175227 496887633 /nfs/dbraw/zinc/88/76/33/496887633.db2.gz BMACZCBDRNEBGV-UHFFFAOYSA-N 0 3 373.434 3.223 20 5 FGBDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373091 496986266 /nfs/dbraw/zinc/98/62/66/496986266.db2.gz GDIJJMZISUQULM-QZTJIDSGSA-N 0 3 356.422 3.480 20 5 FGBDHN Cc1ccccc1[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372482 496986422 /nfs/dbraw/zinc/98/64/22/496986422.db2.gz AALXFVOBLYKVSK-AEFFLSMTSA-N 0 3 356.422 3.480 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192140277 497009305 /nfs/dbraw/zinc/00/93/05/497009305.db2.gz WGWJIYATSQXVFE-ZWKOTPCHSA-N 0 3 364.348 3.372 20 5 FGBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465922 497022322 /nfs/dbraw/zinc/02/23/22/497022322.db2.gz RYDJQBZJRDKGCA-UWWQBHOKSA-N 0 3 374.412 3.352 20 5 FGBDHN O=C1C[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000270303657 497097891 /nfs/dbraw/zinc/09/78/91/497097891.db2.gz SPQDVRFVXYOSJO-OAHLLOKOSA-N 0 3 373.840 3.387 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000236784323 497145169 /nfs/dbraw/zinc/14/51/69/497145169.db2.gz WWIOJZACDIIMOF-INIZCTEOSA-N 0 3 367.409 3.024 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCc1nnc3n1CCCCC3)CCC2 ZINC000192640331 497171782 /nfs/dbraw/zinc/17/17/82/497171782.db2.gz SNCVKXXYJOCLMN-QGZVFWFLSA-N 0 3 355.442 3.122 20 5 FGBDHN Cc1nnc([C@@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270663562 497173705 /nfs/dbraw/zinc/17/37/05/497173705.db2.gz WBSNOULDSBHPNX-CQSZACIVSA-N 0 3 368.397 3.056 20 5 FGBDHN COc1ccc([C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000193179643 497317414 /nfs/dbraw/zinc/31/74/14/497317414.db2.gz UCFMHXUJHPVLID-HXUWFJFHSA-N 0 3 369.421 3.307 20 5 FGBDHN CN(Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316005 497347865 /nfs/dbraw/zinc/34/78/65/497347865.db2.gz NIMMSBWSLRBBDM-OAHLLOKOSA-N 0 3 350.802 3.120 20 5 FGBDHN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000193655449 497437929 /nfs/dbraw/zinc/43/79/29/497437929.db2.gz KFAFNSUHLFRWDO-DIFFPNOSSA-N 0 3 363.364 3.294 20 5 FGBDHN COc1ccc([C@H](C)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245652353 497489935 /nfs/dbraw/zinc/48/99/35/497489935.db2.gz HUEZRGQLVHVSSX-GDBMZVCRSA-N 0 3 356.426 3.288 20 5 FGBDHN CCc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193838710 497497905 /nfs/dbraw/zinc/49/79/05/497497905.db2.gz JEFYYCDNGJTTAZ-KRWDZBQOSA-N 0 3 367.449 3.409 20 5 FGBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193880338 497509583 /nfs/dbraw/zinc/50/95/83/497509583.db2.gz JIRMNIDNALENKO-INIZCTEOSA-N 0 3 354.410 3.238 20 5 FGBDHN COc1cc(CNC[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000280034189 497626082 /nfs/dbraw/zinc/62/60/82/497626082.db2.gz YNDSQQGHIHPVFY-JTQLQIEISA-N 0 3 362.398 3.090 20 5 FGBDHN COc1cc(CN[C@@H](C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000268035148 497665347 /nfs/dbraw/zinc/66/53/47/497665347.db2.gz LXPNIKOWHUJELC-HNNXBMFYSA-N 0 3 374.437 3.433 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2cc(F)ccc2C1 ZINC000575138486 505928981 /nfs/dbraw/zinc/92/89/81/505928981.db2.gz CGDASJQLHGCXHF-MLGOLLRUSA-N 0 3 373.384 3.044 20 5 FGBDHN COc1cc(CNC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000263677690 497807887 /nfs/dbraw/zinc/80/78/87/497807887.db2.gz LMQFLFMSPBJTLW-MRXNPFEDSA-N 0 3 372.421 3.309 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000578480139 505949685 /nfs/dbraw/zinc/94/96/85/505949685.db2.gz FYGDMISKWFTBTN-CQSZACIVSA-N 0 3 371.441 3.190 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000301064775 497936124 /nfs/dbraw/zinc/93/61/24/497936124.db2.gz ATJMATKTLFNDIC-UHFFFAOYSA-N 0 3 358.417 3.272 20 5 FGBDHN Cc1nn(C)c(NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301127887 497963780 /nfs/dbraw/zinc/96/37/80/497963780.db2.gz XTYJQJKRPOWCOG-KRWDZBQOSA-N 0 3 357.458 3.132 20 5 FGBDHN CC1=C[C@H](C)C[C@@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000578585165 505973085 /nfs/dbraw/zinc/97/30/85/505973085.db2.gz WHVWSKXEDWYKOO-DOTOQJQBSA-N 0 3 357.454 3.345 20 5 FGBDHN [NH3+]CCN(Cc1cc([O-])ccc1Br)c1ccccc1[N+](=O)[O-] ZINC000581397383 505978597 /nfs/dbraw/zinc/97/85/97/505978597.db2.gz TVURWMLECIRSJC-UHFFFAOYSA-N 0 3 366.215 3.028 20 5 FGBDHN O=C(CCN1CCC=C(c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289378876 498126176 /nfs/dbraw/zinc/12/61/76/498126176.db2.gz PVILNFZFZBLBRF-UHFFFAOYSA-N 0 3 352.394 3.108 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285567899 498132105 /nfs/dbraw/zinc/13/21/05/498132105.db2.gz HMXJEEJSHJKVGW-AAEUAGOBSA-N 0 3 352.822 3.339 20 5 FGBDHN O=C(CCN1CCC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289444327 498150200 /nfs/dbraw/zinc/15/02/00/498150200.db2.gz WTFFCUUUIGAQCX-INIZCTEOSA-N 0 3 354.410 3.198 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296737078 498176184 /nfs/dbraw/zinc/17/61/84/498176184.db2.gz OOTBDDXZLGYUJB-XJKSGUPXSA-N 0 3 355.394 3.167 20 5 FGBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000365015499 498255937 /nfs/dbraw/zinc/25/59/37/498255937.db2.gz RHKVFWHQALIIGI-INIZCTEOSA-N 0 3 367.384 3.097 20 5 FGBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000296948154 498263003 /nfs/dbraw/zinc/26/30/03/498263003.db2.gz VTEJQGSJNWLRGQ-HNNXBMFYSA-N 0 3 372.347 3.173 20 5 FGBDHN Cc1cc(N2CCC(N3CCO[C@H](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301991480 498359565 /nfs/dbraw/zinc/35/95/65/498359565.db2.gz GASPMSNOWZCZBW-OAHLLOKOSA-N 0 3 370.453 3.141 20 5 FGBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c(Cl)c1 ZINC000302047574 498384326 /nfs/dbraw/zinc/38/43/26/498384326.db2.gz LQHSRQZDUYBSCF-MRXNPFEDSA-N 0 3 361.829 3.427 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000297465965 498459316 /nfs/dbraw/zinc/45/93/16/498459316.db2.gz NLDXDVVOUYMMMZ-INIZCTEOSA-N 0 3 352.822 3.198 20 5 FGBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN(C2CCC2)C1 ZINC000293712881 498464943 /nfs/dbraw/zinc/46/49/43/498464943.db2.gz OMVLUOAASBDHFB-GFCCVEGCSA-N 0 3 351.834 3.195 20 5 FGBDHN CCc1nn(C)c(NC[C@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302436426 498484347 /nfs/dbraw/zinc/48/43/47/498484347.db2.gz PQHVMFUVEPDKKM-IBGZPJMESA-N 0 3 357.458 3.357 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](C4CCOCC4)C3)co2)cc1 ZINC000362451811 498519275 /nfs/dbraw/zinc/51/92/75/498519275.db2.gz OYBVCBZQBCZZTR-MRXNPFEDSA-N 0 3 357.410 3.498 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000293924876 498534327 /nfs/dbraw/zinc/53/43/27/498534327.db2.gz ISUYGTKVNCSHJE-RDTXWAMCSA-N 0 3 363.483 3.020 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000302779691 498570332 /nfs/dbraw/zinc/57/03/32/498570332.db2.gz HZHRIXRMRPFTKD-KRWDZBQOSA-N 0 3 359.401 3.437 20 5 FGBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912047 498606970 /nfs/dbraw/zinc/60/69/70/498606970.db2.gz TZSNGZFEWIJRKQ-BXUZGUMPSA-N 0 3 371.359 3.170 20 5 FGBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913947 498607688 /nfs/dbraw/zinc/60/76/88/498607688.db2.gz UCNVNFZATKHTIF-IAQYHMDHSA-N 0 3 371.359 3.170 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363043206 498619277 /nfs/dbraw/zinc/61/92/77/498619277.db2.gz XLQATVBQOCPQFB-QGZVFWFLSA-N 0 3 370.453 3.460 20 5 FGBDHN CCCN(CCN1CCCCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000572875824 506072647 /nfs/dbraw/zinc/07/26/47/506072647.db2.gz DLHKZBGMBJVXHP-UHFFFAOYSA-N 0 3 373.457 3.336 20 5 FGBDHN Cc1sc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000298279930 498720449 /nfs/dbraw/zinc/72/04/49/498720449.db2.gz FNESMPSBMWRBFC-UHFFFAOYSA-N 0 3 363.439 3.294 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000570239281 506121591 /nfs/dbraw/zinc/12/15/91/506121591.db2.gz DUEBKPBKLUUYHM-INIZCTEOSA-N 0 3 373.457 3.377 20 5 FGBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299365861 499038585 /nfs/dbraw/zinc/03/85/85/499038585.db2.gz RLDCPJKPBKSNPY-SFHVURJKSA-N 0 3 357.385 3.301 20 5 FGBDHN O=c1cc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)c2c(ccc3ccccc32)o1 ZINC000367053981 499140078 /nfs/dbraw/zinc/14/00/78/499140078.db2.gz HWADORLHSPFVMA-JTSKRJEESA-N 0 3 362.429 3.093 20 5 FGBDHN Cc1c(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000372532247 499140851 /nfs/dbraw/zinc/14/08/51/499140851.db2.gz HWSMHNDLRBVIAG-LPHOPBHVSA-N 0 3 368.437 3.063 20 5 FGBDHN C[C@H](N[C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000369884085 499144995 /nfs/dbraw/zinc/14/49/95/499144995.db2.gz XNMQWPVDQVAXEX-GOEBONIOSA-N 0 3 368.437 3.013 20 5 FGBDHN C[C@@H](N[C@H]1CCCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000369884087 499145063 /nfs/dbraw/zinc/14/50/63/499145063.db2.gz XNMQWPVDQVAXEX-ZBFHGGJFSA-N 0 3 368.437 3.013 20 5 FGBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000372573643 499147506 /nfs/dbraw/zinc/14/75/06/499147506.db2.gz TYKQVFQIHBAEGL-GUYCJALGSA-N 0 3 362.380 3.397 20 5 FGBDHN Cc1cc(CN2CCC(N(C)Cc3ccc([N+](=O)[O-])c(F)c3)CC2)on1 ZINC000367297352 499175757 /nfs/dbraw/zinc/17/57/57/499175757.db2.gz AKGJBQIPIFIMJM-UHFFFAOYSA-N 0 3 362.405 3.127 20 5 FGBDHN C[C@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000367432407 499198227 /nfs/dbraw/zinc/19/82/27/499198227.db2.gz RTWAVVYLRNUTML-MAUKXSAKSA-N 0 3 353.422 3.089 20 5 FGBDHN O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000367603700 499216402 /nfs/dbraw/zinc/21/64/02/499216402.db2.gz NNCLCZAPBBWPDS-UHFFFAOYSA-N 0 3 368.846 3.032 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@@H]2c2nnc(C)o2)CC1 ZINC000370824825 499259121 /nfs/dbraw/zinc/25/91/21/499259121.db2.gz SSHMXAPVSKEOJZ-OAHLLOKOSA-N 0 3 358.398 3.065 20 5 FGBDHN CN1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369565132 499418461 /nfs/dbraw/zinc/41/84/61/499418461.db2.gz UGVXRSSTDNTANV-BZNIZROVSA-N 0 3 363.414 3.218 20 5 FGBDHN CN1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369568127 499419317 /nfs/dbraw/zinc/41/93/17/499419317.db2.gz KBAUDRWSYGPMIO-IGKGSBEGSA-N 0 3 371.462 3.479 20 5 FGBDHN Cc1cc(N2CCC[C@@H](NCc3ccc(Cl)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000373056048 499449224 /nfs/dbraw/zinc/44/92/24/499449224.db2.gz GXUPRXXXSKKGDN-CQSZACIVSA-N 0 3 363.849 3.049 20 5 FGBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCc2cccnc21 ZINC000375562620 499532911 /nfs/dbraw/zinc/53/29/11/499532911.db2.gz CYOWBOUIHSQRFF-KRWDZBQOSA-N 0 3 372.400 3.467 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)n1 ZINC000388431460 499550864 /nfs/dbraw/zinc/55/08/64/499550864.db2.gz UOGGUFHSLWDGKD-ZWKOTPCHSA-N 0 3 352.438 3.257 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCC(F)F)cc3)CC2)n1 ZINC000376652438 499626490 /nfs/dbraw/zinc/62/64/90/499626490.db2.gz QGWVQEGCXJGIQB-UHFFFAOYSA-N 0 3 366.368 3.272 20 5 FGBDHN CCN1CCC(N(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000376878267 499643194 /nfs/dbraw/zinc/64/31/94/499643194.db2.gz SWIMFUTVYGUGHP-UHFFFAOYSA-N 0 3 367.396 3.162 20 5 FGBDHN CC(C)Oc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000411142722 499702302 /nfs/dbraw/zinc/70/23/02/499702302.db2.gz GWHYTEPXQVJANH-SFHVURJKSA-N 0 3 371.437 3.415 20 5 FGBDHN COc1ccc(NC(=O)CCNC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000411451364 499742130 /nfs/dbraw/zinc/74/21/30/499742130.db2.gz HIOVDXBQKMBSTB-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN O=C(CCN[C@@H](CCCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411470007 499744569 /nfs/dbraw/zinc/74/45/69/499744569.db2.gz HUTXKZHYHAEYDZ-SFHVURJKSA-N 0 3 357.410 3.027 20 5 FGBDHN COc1cccc(C2(NCCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000411469141 499744751 /nfs/dbraw/zinc/74/47/51/499744751.db2.gz FUAWBYSEIJBUGQ-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN Cc1cc(N2CCC(N(C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC000377914748 499747710 /nfs/dbraw/zinc/74/77/10/499747710.db2.gz PXAKWIRFANRPBB-UHFFFAOYSA-N 0 3 355.442 3.102 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414317206 499777149 /nfs/dbraw/zinc/77/71/49/499777149.db2.gz OYOHDZDSKMPASZ-KSSFIOAISA-N 0 3 371.412 3.450 20 5 FGBDHN CO[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000411889555 499800646 /nfs/dbraw/zinc/80/06/46/499800646.db2.gz COQVUCSZHZTRSP-QUCCMNQESA-N 0 3 369.421 3.134 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000414555976 499808322 /nfs/dbraw/zinc/80/83/22/499808322.db2.gz UZRPYFGAJFSHQP-ZUTYSQTGSA-N 0 3 357.454 3.475 20 5 FGBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000411988068 499810361 /nfs/dbraw/zinc/81/03/61/499810361.db2.gz VZDUDXJQVKTESJ-CEXWTWQISA-N 0 3 357.454 3.175 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000412008846 499812597 /nfs/dbraw/zinc/81/25/97/499812597.db2.gz MMKOCRHWLUEMTM-LJQANCHMSA-N 0 3 356.422 3.215 20 5 FGBDHN CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1occc1C ZINC000412023978 499814017 /nfs/dbraw/zinc/81/40/17/499814017.db2.gz DZOSLAQPGOYAQK-UHFFFAOYSA-N 0 3 359.382 3.316 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413185381 499924070 /nfs/dbraw/zinc/92/40/70/499924070.db2.gz PRKTYCGOWBGYSV-UHFFFAOYSA-N 0 3 358.442 3.444 20 5 FGBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000413310443 499940339 /nfs/dbraw/zinc/94/03/39/499940339.db2.gz NHIFZPOKVAOCEE-CVEARBPZSA-N 0 3 356.401 3.087 20 5 FGBDHN CSc1ccc(C(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416092600 499947543 /nfs/dbraw/zinc/94/75/43/499947543.db2.gz IGDVOPBJNXMMGN-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN CN(C)CCN(Cc1ccsc1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000413463935 499964464 /nfs/dbraw/zinc/96/44/64/499964464.db2.gz ZENHPGSIMFHPON-UHFFFAOYSA-N 0 3 363.468 3.229 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007575 499980568 /nfs/dbraw/zinc/98/05/68/499980568.db2.gz VSXURWFDGLIMGI-SPYBWZPUSA-N 0 3 370.453 3.412 20 5 FGBDHN CC(C)Oc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000413673587 500021559 /nfs/dbraw/zinc/02/15/59/500021559.db2.gz SXIXOTJLCSNPIQ-CQSZACIVSA-N 0 3 363.458 3.184 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421347612 500022342 /nfs/dbraw/zinc/02/23/42/500022342.db2.gz CTOHBZCBMJTSKV-UHFFFAOYSA-N 0 3 368.437 3.108 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(CC)CC ZINC000429343419 500056248 /nfs/dbraw/zinc/05/62/48/500056248.db2.gz HOBWBRZHECLREL-CVEARBPZSA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000421492123 500062852 /nfs/dbraw/zinc/06/28/52/500062852.db2.gz SJBKEOIWXDPWMZ-UHFFFAOYSA-N 0 3 359.426 3.317 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COCc2ccccc21 ZINC000417406910 500063663 /nfs/dbraw/zinc/06/36/63/500063663.db2.gz SBRNGSYADJQWBE-ACJLOTCBSA-N 0 3 355.394 3.173 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421763439 500143844 /nfs/dbraw/zinc/14/38/44/500143844.db2.gz QNLBCGZLTLSGOX-UHFFFAOYSA-N 0 3 371.441 3.317 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425607181 500159276 /nfs/dbraw/zinc/15/92/76/500159276.db2.gz NMGUAAPQDVYMEW-MRXNPFEDSA-N 0 3 369.421 3.127 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H](C)C2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000421866738 500166343 /nfs/dbraw/zinc/16/63/43/500166343.db2.gz OALHCGZORUWJND-KBPBESRZSA-N 0 3 352.431 3.228 20 5 FGBDHN COC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)C1CCCCC1 ZINC000430225128 500211742 /nfs/dbraw/zinc/21/17/42/500211742.db2.gz XFZRLSOBHOUYLG-MRXNPFEDSA-N 0 3 350.415 3.205 20 5 FGBDHN COC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1OC)C1CCCCC1 ZINC000430225127 500211860 /nfs/dbraw/zinc/21/18/60/500211860.db2.gz XFZRLSOBHOUYLG-INIZCTEOSA-N 0 3 350.415 3.205 20 5 FGBDHN CCc1ccc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000430469623 500244081 /nfs/dbraw/zinc/24/40/81/500244081.db2.gz DJECBUPBKURONP-UHFFFAOYSA-N 0 3 371.441 3.181 20 5 FGBDHN CC[C@@H]1CC[C@H](C)C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430751420 500279840 /nfs/dbraw/zinc/27/98/40/500279840.db2.gz WCCMOEHIKFFKPX-JJRVBVJISA-N 0 3 354.472 3.173 20 5 FGBDHN CC(C)c1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000422728751 500291048 /nfs/dbraw/zinc/29/10/48/500291048.db2.gz GWMBJQQTASMMKM-UHFFFAOYSA-N 0 3 356.426 3.023 20 5 FGBDHN CCN(CC)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccsc1 ZINC000420580221 500474640 /nfs/dbraw/zinc/47/46/40/500474640.db2.gz CFGBBFAIAYWLIF-OAHLLOKOSA-N 0 3 362.455 3.250 20 5 FGBDHN COc1cc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000433193763 500643879 /nfs/dbraw/zinc/64/38/79/500643879.db2.gz LHZCBKKYQLHNCL-OAHLLOKOSA-N 0 3 371.437 3.315 20 5 FGBDHN O=C1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 ZINC000433203613 500647140 /nfs/dbraw/zinc/64/71/40/500647140.db2.gz YEKKBWPPKDPHFO-LLVKDONJSA-N 0 3 363.801 3.267 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000448254360 500739818 /nfs/dbraw/zinc/73/98/18/500739818.db2.gz DRCLSEMTBCJYMF-SFHVURJKSA-N 0 3 374.485 3.389 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1 ZINC000433862255 500757237 /nfs/dbraw/zinc/75/72/37/500757237.db2.gz JXAACUULQFIWMK-OAHLLOKOSA-N 0 3 373.457 3.254 20 5 FGBDHN COc1cc(CNC[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000438360573 500776488 /nfs/dbraw/zinc/77/64/88/500776488.db2.gz DGZBEFGRKXKXPN-SFHVURJKSA-N 0 3 352.431 3.033 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444077131 500799910 /nfs/dbraw/zinc/79/99/10/500799910.db2.gz SIKDUCSAPYWJAC-CHWSQXEVSA-N 0 3 367.424 3.033 20 5 FGBDHN Cc1csc([C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C2CC2)n1 ZINC000602566162 506219447 /nfs/dbraw/zinc/21/94/47/506219447.db2.gz ITMYHIFQDZHAEJ-KRWDZBQOSA-N 0 3 373.482 3.464 20 5 FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434417318 500839665 /nfs/dbraw/zinc/83/96/65/500839665.db2.gz USOBFQBVKHYPGF-CYBMUJFWSA-N 0 3 371.359 3.360 20 5 FGBDHN CCOC(=O)c1ccnc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000439128836 500860501 /nfs/dbraw/zinc/86/05/01/500860501.db2.gz PMZSEVQXVREONJ-XJKSGUPXSA-N 0 3 372.425 3.270 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000434685355 500879578 /nfs/dbraw/zinc/87/95/78/500879578.db2.gz PKLJOQPLCMNOQY-UHFFFAOYSA-N 0 3 370.453 3.386 20 5 FGBDHN Cc1cc(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000444745758 500891572 /nfs/dbraw/zinc/89/15/72/500891572.db2.gz VTBBFGVLGCBACJ-UHFFFAOYSA-N 0 3 373.384 3.472 20 5 FGBDHN CCCNC(=O)c1cccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449088624 500922367 /nfs/dbraw/zinc/92/23/67/500922367.db2.gz IHPHZPXPTYINSR-OAHLLOKOSA-N 0 3 355.438 3.455 20 5 FGBDHN C[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(C)(C)CN(C)C ZINC000445012340 500932679 /nfs/dbraw/zinc/93/26/79/500932679.db2.gz YGYGAFOXMRAZBU-AWEZNQCLSA-N 0 3 365.477 3.387 20 5 FGBDHN CN(C)CC(C)(C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435838946 501035748 /nfs/dbraw/zinc/03/57/48/501035748.db2.gz ZSIZXVCKPOQIBE-UHFFFAOYSA-N 0 3 369.440 3.138 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1cccnc1)C1CC1 ZINC000445817450 501037038 /nfs/dbraw/zinc/03/70/38/501037038.db2.gz FZDDFUGITGTMBQ-IBGZPJMESA-N 0 3 370.409 3.068 20 5 FGBDHN Cc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000449654326 501051189 /nfs/dbraw/zinc/05/11/89/501051189.db2.gz DTYMGTWPHWGKTL-NXHRZFHOSA-N 0 3 358.442 3.387 20 5 FGBDHN COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752489 501075355 /nfs/dbraw/zinc/07/53/55/501075355.db2.gz FWBBQEUSCGIHIU-ZWKOTPCHSA-N 0 3 354.406 3.292 20 5 FGBDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436270498 501099641 /nfs/dbraw/zinc/09/96/41/501099641.db2.gz NBGNXWVFTJSTQM-SJLPKXTDSA-N 0 3 363.458 3.497 20 5 FGBDHN Cc1nc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)ncc1[N+](=O)[O-] ZINC000450446657 501124086 /nfs/dbraw/zinc/12/40/86/501124086.db2.gz PKWNJCKXYPGAHN-CQSZACIVSA-N 0 3 369.347 3.427 20 5 FGBDHN Cc1cc(N2CCc3nccc(N)c3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000598942624 506237155 /nfs/dbraw/zinc/23/71/55/506237155.db2.gz NILFIMIQYWGNNO-UHFFFAOYSA-N 0 3 352.316 3.462 20 5 FGBDHN CC(C)(C)Oc1cc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450589207 501161700 /nfs/dbraw/zinc/16/17/00/501161700.db2.gz CHZOCRICNZSUJA-HNNXBMFYSA-N 0 3 351.447 3.031 20 5 FGBDHN COC(=O)[C@@](C)(CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000447062242 501199065 /nfs/dbraw/zinc/19/90/65/501199065.db2.gz YDVOKWAFEUPMJD-IBGZPJMESA-N 0 3 360.385 3.263 20 5 FGBDHN CO[C@H](CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC000602641978 506242570 /nfs/dbraw/zinc/24/25/70/506242570.db2.gz WRILDHSUBDALNV-OAHLLOKOSA-N 0 3 362.348 3.145 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451182247 501250631 /nfs/dbraw/zinc/25/06/31/501250631.db2.gz IRJPZWCTEBPGKV-QWQRMKEZSA-N 0 3 353.422 3.460 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCCCN2CCO)c2ccccc2)c1 ZINC000453270376 501303685 /nfs/dbraw/zinc/30/36/85/501303685.db2.gz SKNNAKXXIBHJGA-LEWJYISDSA-N 0 3 369.465 3.121 20 5 FGBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000452342606 501482389 /nfs/dbraw/zinc/48/23/89/501482389.db2.gz ILQCBXUXXVFAET-GJZGRUSLSA-N 0 3 365.449 3.464 20 5 FGBDHN O=C(C1CCN(C2CC2)CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452870603 501578036 /nfs/dbraw/zinc/57/80/36/501578036.db2.gz ZPYQPFUABBCUPP-KRWDZBQOSA-N 0 3 357.454 3.175 20 5 FGBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C[C@@H]21 ZINC000453043433 501607286 /nfs/dbraw/zinc/60/72/86/501607286.db2.gz XEWNILNZHLRNRO-KDOFPFPSSA-N 0 3 367.405 3.163 20 5 FGBDHN C[C@@H](Cc1cccc(F)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778225 501712862 /nfs/dbraw/zinc/71/28/62/501712862.db2.gz ZJAVXDNZKGEJST-WMLDXEAASA-N 0 3 362.401 3.037 20 5 FGBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000485165446 501744969 /nfs/dbraw/zinc/74/49/69/501744969.db2.gz UKWAZUJGYGNVDA-QWRGUYRKSA-N 0 3 357.252 3.061 20 5 FGBDHN COC(=O)COc1ccc(CNCc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000474351539 501802138 /nfs/dbraw/zinc/80/21/38/501802138.db2.gz NDMNAXRYXMFLBO-UHFFFAOYSA-N 0 3 372.421 3.362 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N(C)C ZINC000481708400 501857783 /nfs/dbraw/zinc/85/77/83/501857783.db2.gz AAZYNHWCPDOTOE-CYBMUJFWSA-N 0 3 359.451 3.426 20 5 FGBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1cccs1 ZINC000596145966 506278386 /nfs/dbraw/zinc/27/83/86/506278386.db2.gz JGBXCWFOQGNNHU-YVEFUNNKSA-N 0 3 374.466 3.250 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(CCO)(CCO)CC2)o1 ZINC000602732443 506278562 /nfs/dbraw/zinc/27/85/62/506278562.db2.gz OSTLEVDPLSFNHG-UHFFFAOYSA-N 0 3 374.437 3.202 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000485730190 501918103 /nfs/dbraw/zinc/91/81/03/501918103.db2.gz DOQARAIIYZBWOZ-STQMWFEESA-N 0 3 351.472 3.309 20 5 FGBDHN Cc1cnc(NC2CCN(CCOc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000474783984 501951748 /nfs/dbraw/zinc/95/17/48/501951748.db2.gz NFVGSRVEUCFELC-UHFFFAOYSA-N 0 3 374.416 3.393 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000478475171 501994749 /nfs/dbraw/zinc/99/47/49/501994749.db2.gz KETHVTOQLZPHLY-CHWSQXEVSA-N 0 3 351.472 3.167 20 5 FGBDHN COC(=O)COc1ccc(CN2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000475126466 502069268 /nfs/dbraw/zinc/06/92/68/502069268.db2.gz AWEZYKNDDNXRGJ-UHFFFAOYSA-N 0 3 362.426 3.303 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000478728168 502069681 /nfs/dbraw/zinc/06/96/81/502069681.db2.gz ZVGYQWIAXFUNMH-UONOGXRCSA-N 0 3 360.458 3.162 20 5 FGBDHN CO[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000461432535 502112363 /nfs/dbraw/zinc/11/23/63/502112363.db2.gz WYZNNEPJBUGYQC-QGZVFWFLSA-N 0 3 366.801 3.403 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccc(C)cc1 ZINC000468642222 502134936 /nfs/dbraw/zinc/13/49/36/502134936.db2.gz PPJJMYKBVACJNR-VBKFSLOCSA-N 0 3 353.422 3.326 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000596186508 506300135 /nfs/dbraw/zinc/30/01/35/506300135.db2.gz LJHQBQQQJCDCFJ-SNVBAGLBSA-N 0 3 353.806 3.097 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596191913 506302308 /nfs/dbraw/zinc/30/23/08/506302308.db2.gz BZKXVAGFDDZNLD-YESZJQIVSA-N 0 3 368.437 3.408 20 5 FGBDHN O=c1[n-]ccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596191913 506302313 /nfs/dbraw/zinc/30/23/13/506302313.db2.gz BZKXVAGFDDZNLD-YESZJQIVSA-N 0 3 368.437 3.408 20 5 FGBDHN CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000465412601 502255600 /nfs/dbraw/zinc/25/56/00/502255600.db2.gz QXHFNXMLOUUIEM-NCAQKEMTSA-N 0 3 369.849 3.368 20 5 FGBDHN CN(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000596195202 506303654 /nfs/dbraw/zinc/30/36/54/506303654.db2.gz OIEFDRPZMANOLK-ZDUSSCGKSA-N 0 3 370.331 3.429 20 5 FGBDHN C[C@@H](NCC1(OCCO)CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000599065363 506306082 /nfs/dbraw/zinc/30/60/82/506306082.db2.gz JEQGIYZVZFFEAX-CYBMUJFWSA-N 0 3 358.385 3.202 20 5 FGBDHN Cc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000596208915 506311401 /nfs/dbraw/zinc/31/14/01/506311401.db2.gz KQFXUZCIKWLPSE-SFHVURJKSA-N 0 3 361.467 3.038 20 5 FGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1OC ZINC000479890869 502411069 /nfs/dbraw/zinc/41/10/69/502411069.db2.gz ZWTKHSXDJMEOKC-KBRIMQKVSA-N 0 3 363.458 3.414 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000469508995 502445558 /nfs/dbraw/zinc/44/55/58/502445558.db2.gz SDQPJAKVJDKABM-LJQANCHMSA-N 0 3 369.465 3.410 20 5 FGBDHN Cc1c(CNC(=O)N2CCN(CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000480060921 502460483 /nfs/dbraw/zinc/46/04/83/502460483.db2.gz LVVNXDJCUPIPGS-UHFFFAOYSA-N 0 3 362.474 3.167 20 5 FGBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000483699086 502467749 /nfs/dbraw/zinc/46/77/49/502467749.db2.gz YIUUKAOSOHDTQU-OCCSQVGLSA-N 0 3 374.384 3.295 20 5 FGBDHN CC(C)(CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000487552966 502478127 /nfs/dbraw/zinc/47/81/27/502478127.db2.gz QOENKJVODIZMFC-UHFFFAOYSA-N 0 3 362.474 3.394 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@@H](O)COCc1ccccc1 ZINC000599091550 506319414 /nfs/dbraw/zinc/31/94/14/506319414.db2.gz JHOMHKKEEKYISM-APWZRJJASA-N 0 3 356.422 3.140 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693757 502535676 /nfs/dbraw/zinc/53/56/76/502535676.db2.gz ZNYBOXJHVAQWDG-YOEHRIQHSA-N 0 3 363.421 3.470 20 5 FGBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@H]2C1 ZINC000462695826 502536696 /nfs/dbraw/zinc/53/66/96/502536696.db2.gz IPQWKYVTFFUVKK-WMZOPIPTSA-N 0 3 368.437 3.099 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000480325452 502537919 /nfs/dbraw/zinc/53/79/19/502537919.db2.gz CQIIYLWLCWURCS-UHFFFAOYSA-N 0 3 364.446 3.333 20 5 FGBDHN CC(C)[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000487992888 502593235 /nfs/dbraw/zinc/59/32/35/502593235.db2.gz YXGCPCQWVDJCLX-QGZVFWFLSA-N 0 3 358.442 3.064 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@H]1C ZINC000488009570 502598903 /nfs/dbraw/zinc/59/89/03/502598903.db2.gz NRKGJOOGDDUFBU-CXAGYDPISA-N 0 3 350.415 3.098 20 5 FGBDHN CN(C)CCOc1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC000473517131 502618806 /nfs/dbraw/zinc/61/88/06/502618806.db2.gz GOXLSPZFKGDRIS-UHFFFAOYSA-N 0 3 366.421 3.117 20 5 FGBDHN Cc1noc(COc2ccc(OCCN3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000596253121 506329441 /nfs/dbraw/zinc/32/94/41/506329441.db2.gz WWASBDPXSOHXKC-UHFFFAOYSA-N 0 3 361.398 3.335 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457833 502720088 /nfs/dbraw/zinc/72/00/88/502720088.db2.gz MNEXGCMHOSFKBH-KXBFYZLASA-N 0 3 353.422 3.235 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000588765017 506331286 /nfs/dbraw/zinc/33/12/86/506331286.db2.gz SGKNPEDLCSBIRN-GXTWGEPZSA-N 0 3 361.398 3.056 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000470446562 502777943 /nfs/dbraw/zinc/77/79/43/502777943.db2.gz SMFWVEICGFOVHH-UHFFFAOYSA-N 0 3 352.797 3.351 20 5 FGBDHN C[C@@H]1[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771197 506334104 /nfs/dbraw/zinc/33/41/04/506334104.db2.gz DMJROHBOIQRPNW-OXQOHEQNSA-N 0 3 367.449 3.307 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(C(N)=O)cc1 ZINC000504900068 502820729 /nfs/dbraw/zinc/82/07/29/502820729.db2.gz QQWCBFXVJDGHBN-HNNXBMFYSA-N 0 3 359.451 3.354 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCNC(=O)c1ccco1 ZINC000504927221 502824693 /nfs/dbraw/zinc/82/46/93/502824693.db2.gz NUSFOHVDCBCAPN-CYBMUJFWSA-N 0 3 363.439 3.078 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000509506925 502920818 /nfs/dbraw/zinc/92/08/18/502920818.db2.gz ZOVUBXVYRDMGOF-MAUKXSAKSA-N 0 3 353.422 3.089 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489356064 502936491 /nfs/dbraw/zinc/93/64/91/502936491.db2.gz UTPWRZIBKZFVMK-KBMXLJTQSA-N 0 3 362.474 3.384 20 5 FGBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000513466959 502946772 /nfs/dbraw/zinc/94/67/72/502946772.db2.gz NJRJUBUURRGKTQ-QGZVFWFLSA-N 0 3 358.467 3.387 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000501228323 502963663 /nfs/dbraw/zinc/96/36/63/502963663.db2.gz PEKIKHUQTHUYNH-CRAIPNDOSA-N 0 3 353.422 3.469 20 5 FGBDHN C[C@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000514232453 503120694 /nfs/dbraw/zinc/12/06/94/503120694.db2.gz MBPCZQWZMHLWHU-HOTGVXAUSA-N 0 3 353.422 3.408 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC000510508668 503128974 /nfs/dbraw/zinc/12/89/74/503128974.db2.gz BWYGGJARWLRMRJ-FOIQADDNSA-N 0 3 371.437 3.090 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510556663 503144113 /nfs/dbraw/zinc/14/41/13/503144113.db2.gz YZHFDHDHRGBSHI-AUUYWEPGSA-N 0 3 371.437 3.333 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490369735 503162986 /nfs/dbraw/zinc/16/29/86/503162986.db2.gz LVCIFQNNRYCYMI-MRXNPFEDSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1=CCN(C)CC1 ZINC000510788955 503192817 /nfs/dbraw/zinc/19/28/17/503192817.db2.gz WMAWCYSRBVHBEG-LBPRGKRZSA-N 0 3 372.450 3.099 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000510957257 503225202 /nfs/dbraw/zinc/22/52/02/503225202.db2.gz FQMMMKXUPTWXEU-QLFBSQMISA-N 0 3 363.483 3.209 20 5 FGBDHN C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000510995048 503232507 /nfs/dbraw/zinc/23/25/07/503232507.db2.gz IXGYJVDDKJCZFN-LPHOPBHVSA-N 0 3 367.449 3.479 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000511075767 503247604 /nfs/dbraw/zinc/24/76/04/503247604.db2.gz JARKRENGAJGYFF-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN Cn1cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213610 503355900 /nfs/dbraw/zinc/35/59/00/503355900.db2.gz NYEDOAPBVYNFRL-ZWKOTPCHSA-N 0 3 372.469 3.224 20 5 FGBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000499486866 503417427 /nfs/dbraw/zinc/41/74/27/503417427.db2.gz QUEABXDUAPQCBO-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN CCN(CC)Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000516100976 503445704 /nfs/dbraw/zinc/44/57/04/503445704.db2.gz GBXODOHSRBOLSW-UHFFFAOYSA-N 0 3 360.389 3.410 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000494026266 503476045 /nfs/dbraw/zinc/47/60/45/503476045.db2.gz HTTRPCMEZDOKMY-KUHUBIRLSA-N 0 3 371.412 3.056 20 5 FGBDHN Cn1c(=O)oc2cc(CNCCc3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000512221008 503490177 /nfs/dbraw/zinc/49/01/77/503490177.db2.gz VUGVSRDDNSZAOF-UHFFFAOYSA-N 0 3 361.785 3.025 20 5 FGBDHN Cc1c(CC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000517195989 503668267 /nfs/dbraw/zinc/66/82/67/503668267.db2.gz XHRTXNLNSKBPTI-APWZRJJASA-N 0 3 367.449 3.225 20 5 FGBDHN C[C@@H]1Cc2ccccc2CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532979207 503684609 /nfs/dbraw/zinc/68/46/09/503684609.db2.gz 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ZINC000609566791 506923781 /nfs/dbraw/zinc/92/37/81/506923781.db2.gz MYCKKBYYWVCGPC-UHFFFAOYSA-N 0 3 357.385 3.475 20 5 FGBDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583898791 507039149 /nfs/dbraw/zinc/03/91/49/507039149.db2.gz LZULQLDDYCXUMY-HOTGVXAUSA-N 0 3 371.437 3.150 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284409 507063435 /nfs/dbraw/zinc/06/34/35/507063435.db2.gz XCOAITLUWUPADP-RTBURBONSA-N 0 3 372.469 3.286 20 5 FGBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000597716755 507072711 /nfs/dbraw/zinc/07/27/11/507072711.db2.gz UCERLDHEBBNFGW-GOSISDBHSA-N 0 3 359.451 3.367 20 5 FGBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000597716759 507073146 /nfs/dbraw/zinc/07/31/46/507073146.db2.gz UCHZTUGERUTXQS-INIZCTEOSA-N 0 3 371.359 3.172 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccc(C)o1)C1CC1 ZINC000591011271 507077205 /nfs/dbraw/zinc/07/72/05/507077205.db2.gz MAQXVOLDVLSTNN-UHFFFAOYSA-N 0 3 373.409 3.498 20 5 FGBDHN O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594504008 507159055 /nfs/dbraw/zinc/15/90/55/507159055.db2.gz MDSZTGHCHPYKAN-MAUKXSAKSA-N 0 3 366.421 3.478 20 5 FGBDHN O=C(Nc1ccccc1)N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594504010 507159835 /nfs/dbraw/zinc/15/98/35/507159835.db2.gz MDSZTGHCHPYKAN-YJBOKZPZSA-N 0 3 366.421 3.478 20 5 FGBDHN CC(C)c1ccc([C@@H](N)CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275511 507178491 /nfs/dbraw/zinc/17/84/91/507178491.db2.gz SOPRFZXHYOCNJP-KRWDZBQOSA-N 0 3 371.437 3.279 20 5 FGBDHN NCc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000591309795 507195539 /nfs/dbraw/zinc/19/55/39/507195539.db2.gz IUMUIUPGQKLKHJ-UHFFFAOYSA-N 0 3 370.409 3.129 20 5 FGBDHN NC(=O)Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000591348252 507213970 /nfs/dbraw/zinc/21/39/70/507213970.db2.gz QZTQGHHYQQXTKZ-LJQANCHMSA-N 0 3 353.422 3.180 20 5 FGBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610446054 507243204 /nfs/dbraw/zinc/24/32/04/507243204.db2.gz ONHZATFJMWMQTL-QGZVFWFLSA-N 0 3 367.449 3.260 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1ccco1 ZINC000584311370 507272455 /nfs/dbraw/zinc/27/24/55/507272455.db2.gz HCKXAGIIKQJOPV-TZMCWYRMSA-N 0 3 361.398 3.056 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601260395 507315065 /nfs/dbraw/zinc/31/50/65/507315065.db2.gz ABCIVYAFBKSAKJ-INIZCTEOSA-N 0 3 371.412 3.328 20 5 FGBDHN CCOc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC ZINC000591739479 507344443 /nfs/dbraw/zinc/34/44/43/507344443.db2.gz XEIBXXUGUWQBLN-UHFFFAOYSA-N 0 3 373.409 3.121 20 5 FGBDHN O=C(N[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000594995049 507346524 /nfs/dbraw/zinc/34/65/24/507346524.db2.gz NOMROXJRZUJFGV-RTBURBONSA-N 0 3 353.422 3.426 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000595009329 507352620 /nfs/dbraw/zinc/35/26/20/507352620.db2.gz QYRQYOATGJJYPH-DZGCQCFKSA-N 0 3 369.421 3.339 20 5 FGBDHN Cc1c([C@H](C)NCC2(S(C)(=O)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000595076971 507381025 /nfs/dbraw/zinc/38/10/25/507381025.db2.gz KLQUPVITAIYLBB-AWEZNQCLSA-N 0 3 354.472 3.301 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1c(C2CCC2)cnn1C ZINC000595097070 507389671 /nfs/dbraw/zinc/38/96/71/507389671.db2.gz HEMCLTJLTHMZML-ZDUSSCGKSA-N 0 3 371.441 3.103 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000601622177 507406485 /nfs/dbraw/zinc/40/64/85/507406485.db2.gz SXCYTCUPFNXCKL-UHFFFAOYSA-N 0 3 373.409 3.316 20 5 FGBDHN CCOC(=O)CCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610997823 507474968 /nfs/dbraw/zinc/47/49/68/507474968.db2.gz JLTVQVMXFVRYQK-UHFFFAOYSA-N 0 3 350.415 3.029 20 5 FGBDHN CCc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000598693544 507555095 /nfs/dbraw/zinc/55/50/95/507555095.db2.gz KSIQUFNINLSJDD-CQSZACIVSA-N 0 3 353.422 3.397 20 5 FGBDHN Cc1noc(CN(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595556948 507558786 /nfs/dbraw/zinc/55/87/86/507558786.db2.gz HDSCJTWNMHBGQD-QGZVFWFLSA-N 0 3 358.442 3.376 20 5 FGBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCOCC1 ZINC000595613721 507591816 /nfs/dbraw/zinc/59/18/16/507591816.db2.gz AJBYIQXHTUBKFY-HNNXBMFYSA-N 0 3 362.348 3.145 20 5 FGBDHN C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1Oc2ccccc2[C@H]1C ZINC000611345888 507631900 /nfs/dbraw/zinc/63/19/00/507631900.db2.gz HOVJEOZQXNHSCU-UVARLRKDSA-N 0 3 370.405 3.409 20 5 FGBDHN C[C@H]1c2ccccc2C[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595703854 507637166 /nfs/dbraw/zinc/63/71/66/507637166.db2.gz ANUBZSWXGWZXOZ-FASAQXTFSA-N 0 3 351.406 3.018 20 5 FGBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000595774464 507679549 /nfs/dbraw/zinc/67/95/49/507679549.db2.gz ZSWRPQWQGZVUOP-SJCJKPOMSA-N 0 3 350.369 3.108 20 5 FGBDHN O=[N+]([O-])c1sccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000588070525 507751988 /nfs/dbraw/zinc/75/19/88/507751988.db2.gz NNIXAZDWWWFZEL-QGZVFWFLSA-N 0 3 372.494 3.053 20 5 FGBDHN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000521943911 714158381 /nfs/dbraw/zinc/15/83/81/714158381.db2.gz XMWCGFSWIMGDHX-CYBMUJFWSA-N 0 3 369.849 3.466 20 5 FGBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN(C4CCCC4)CC3)c2c1 ZINC001165029204 721854670 /nfs/dbraw/zinc/85/46/70/721854670.db2.gz VNFZCOCPPWDMCE-UHFFFAOYSA-N 0 3 361.833 3.256 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000783914556 724803474 /nfs/dbraw/zinc/80/34/74/724803474.db2.gz AKZHNNBDYVJLEB-ZDUSSCGKSA-N 0 3 351.472 3.309 20 5 FGBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000790963782 723200034 /nfs/dbraw/zinc/20/00/34/723200034.db2.gz GHHIBTPTBYYGFA-ZDUSSCGKSA-N 0 3 369.824 3.063 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Br)c(F)c2)cc1 ZINC000763431024 723342825 /nfs/dbraw/zinc/34/28/25/723342825.db2.gz MUBKUJDITPWOGJ-OAHLLOKOSA-N 0 3 369.190 3.320 20 5 FGBDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000799372286 724020870 /nfs/dbraw/zinc/02/08/70/724020870.db2.gz MAKCUDJXADHNAI-DGFSRKRXSA-N 0 3 355.822 3.122 20 5 FGBDHN CN(C)Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811831590 725382158 /nfs/dbraw/zinc/38/21/58/725382158.db2.gz FLRINQGCVDGLSM-UHFFFAOYSA-N 0 3 369.830 3.111 20 5 FGBDHN CC(C)(C)N1CC[C@](F)(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000813044047 726833026 /nfs/dbraw/zinc/83/30/26/726833026.db2.gz PRTLGRLUQATXFK-GOSISDBHSA-N 0 3 351.422 3.159 20 5 FGBDHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104828 726839167 /nfs/dbraw/zinc/83/91/67/726839167.db2.gz SAJRVQGWLCJIER-VIFPVBQESA-N 0 3 372.208 3.369 20 5 FGBDHN CC(COC(=O)c1cc(Br)cc(Br)c1)[N+](=O)[O-] ZINC000813108384 726839964 /nfs/dbraw/zinc/83/99/64/726839964.db2.gz FOJKCCFLNWEHHC-ZCFIWIBFSA-N 0 3 366.993 3.034 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1C1CC1 ZINC000813475783 726882707 /nfs/dbraw/zinc/88/27/07/726882707.db2.gz GKGFPXMNJUHICO-WPRPVWTQSA-N 0 3 358.225 3.257 20 5 FGBDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]21 ZINC000814173422 726944639 /nfs/dbraw/zinc/94/46/39/726944639.db2.gz PKKMENDTUWYXAO-QLPKVWCKSA-N 0 3 358.419 3.174 20 5 FGBDHN CC1CCN([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c2cccs2)CC1 ZINC000822216948 729154424 /nfs/dbraw/zinc/15/44/24/729154424.db2.gz GXYZRFBFCMDKAY-OAHLLOKOSA-N 0 3 367.515 3.473 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)c1ccccc1Br ZINC000825343640 729379616 /nfs/dbraw/zinc/37/96/16/729379616.db2.gz OCQSTJVAUSCAJK-MRXNPFEDSA-N 0 3 365.227 3.489 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)c1ccccc1Br ZINC000825343639 729379632 /nfs/dbraw/zinc/37/96/32/729379632.db2.gz OCQSTJVAUSCAJK-INIZCTEOSA-N 0 3 365.227 3.489 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000827649769 729432849 /nfs/dbraw/zinc/43/28/49/729432849.db2.gz KVHDAEWQQSNNIS-LBPRGKRZSA-N 0 3 355.385 3.176 20 5 FGBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000832570050 729721422 /nfs/dbraw/zinc/72/14/22/729721422.db2.gz KAOVRKDYKLWSFP-PSOPSSQASA-N 0 3 355.822 3.122 20 5 FGBDHN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000847081088 731017485 /nfs/dbraw/zinc/01/74/85/731017485.db2.gz RNZCNPNMYXJNEZ-SWLSCSKDSA-N 0 3 355.822 3.124 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1NCc2ccccc21 ZINC000851629151 731479833 /nfs/dbraw/zinc/47/98/33/731479833.db2.gz YIPWESCWJRCUGD-QGZVFWFLSA-N 0 3 359.813 3.441 20 5 FGBDHN CC[N@@H+]1CCC[C@@H]1C[N-]c1nnc(CSc2ccccc2[N+](=O)[O-])o1 ZINC000901406835 743271996 /nfs/dbraw/zinc/27/19/96/743271996.db2.gz GPARAGOJNWJKJS-GFCCVEGCSA-N 0 3 363.443 3.166 20 5 FGBDHN CC[N@H+]1CCC[C@@H]1C[N-]c1nnc(CSc2ccccc2[N+](=O)[O-])o1 ZINC000901406835 743272004 /nfs/dbraw/zinc/27/20/04/743272004.db2.gz GPARAGOJNWJKJS-GFCCVEGCSA-N 0 3 363.443 3.166 20 5 FGBDHN CC(C)(C)O[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000923035616 759054779 /nfs/dbraw/zinc/05/47/79/759054779.db2.gz MPYSWTSFGYQVCW-KBPBESRZSA-N 0 3 354.472 3.499 20 5 FGBDHN COc1cc(CN[C@H](C)C(C)(C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000932370361 761151689 /nfs/dbraw/zinc/15/16/89/761151689.db2.gz LEKJSTTWSUCWGL-SNVBAGLBSA-N 0 3 362.373 3.150 20 5 FGBDHN Nc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000376387486 257468491 /nfs/dbraw/zinc/46/84/91/257468491.db2.gz WLTXRVCHELZDJX-UHFFFAOYSA-N 0 3 358.364 3.394 20 5 FGBDHN Cc1c(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)oc2ccccc12 ZINC000570921237 505612369 /nfs/dbraw/zinc/61/23/69/505612369.db2.gz RLGNDBQRLIMYTO-OAHLLOKOSA-N 0 3 356.378 3.179 20 5 FGBDHN CN(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000574000602 505670350 /nfs/dbraw/zinc/67/03/50/505670350.db2.gz GDXKCLHXLSVQHW-UHFFFAOYSA-N 0 3 350.806 3.196 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000081006005 493811841 /nfs/dbraw/zinc/81/18/41/493811841.db2.gz OWHZKZRQRUDSPX-UHFFFAOYSA-N 0 3 354.454 3.129 20 5 FGBDHN Cc1c(CN2CCC[C@@H](c3nnc4ccccn43)C2)cccc1[N+](=O)[O-] ZINC000076394526 493883201 /nfs/dbraw/zinc/88/32/01/493883201.db2.gz PZPZLTGGDWSMKJ-MRXNPFEDSA-N 0 3 351.410 3.326 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC[C@H]3CCOC3)s2)cc1 ZINC000068992670 493904325 /nfs/dbraw/zinc/90/43/25/493904325.db2.gz GOSUIIZKUCQMCJ-AWEZNQCLSA-N 0 3 362.451 3.466 20 5 FGBDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808827 493975233 /nfs/dbraw/zinc/97/52/33/493975233.db2.gz OWCJRRPKOYWLMK-BLLLJJGKSA-N 0 3 357.385 3.211 20 5 FGBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808815 493975557 /nfs/dbraw/zinc/97/55/57/493975557.db2.gz OWCJRRPKOYWLMK-WBMJQRKESA-N 0 3 357.385 3.211 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000032148571 493977420 /nfs/dbraw/zinc/97/74/20/493977420.db2.gz MOCOWVGJHDZNLC-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN O=C(Nc1ccccc1)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052314984 494017895 /nfs/dbraw/zinc/01/78/95/494017895.db2.gz ZYJBWMZPGVLCCE-QGZVFWFLSA-N 0 3 353.422 3.488 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccccc3)CC2)c1 ZINC000033853136 494063070 /nfs/dbraw/zinc/06/30/70/494063070.db2.gz HCDZBKZTAUJWCC-IBGZPJMESA-N 0 3 356.422 3.214 20 5 FGBDHN O=C(NCCN1CCCCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065308755 494187702 /nfs/dbraw/zinc/18/77/02/494187702.db2.gz GGTGGMAVWZMYON-UHFFFAOYSA-N 0 3 374.466 3.324 20 5 FGBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000072528365 494194639 /nfs/dbraw/zinc/19/46/39/494194639.db2.gz MTFQTYNXMTUSMX-CYBMUJFWSA-N 0 3 351.834 3.243 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCOCCc3ccccc3)C2)nc1 ZINC000072664911 494229344 /nfs/dbraw/zinc/22/93/44/494229344.db2.gz ACHOSVAMXMOJLX-GOSISDBHSA-N 0 3 370.453 3.125 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000042671954 494236215 /nfs/dbraw/zinc/23/62/15/494236215.db2.gz VVNBGHCGVHPFEU-OAHLLOKOSA-N 0 3 361.829 3.151 20 5 FGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000065940362 494260271 /nfs/dbraw/zinc/26/02/71/494260271.db2.gz MYEKDJLIKIFTSD-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000043230090 494276849 /nfs/dbraw/zinc/27/68/49/494276849.db2.gz XHTPKILAUWPTDM-LJQANCHMSA-N 0 3 370.453 3.477 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571344422 505710948 /nfs/dbraw/zinc/71/09/48/505710948.db2.gz INEZPQDLOCUMSU-RTBURBONSA-N 0 3 355.438 3.483 20 5 FGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc(CN2CCCC2)c1 ZINC000089312524 494287836 /nfs/dbraw/zinc/28/78/36/494287836.db2.gz RDBRVTMGBUOFKO-UHFFFAOYSA-N 0 3 353.422 3.163 20 5 FGBDHN CCCOc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000571388382 505721618 /nfs/dbraw/zinc/72/16/18/505721618.db2.gz QREZCCNLOOLMKF-CVEARBPZSA-N 0 3 359.430 3.249 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CCc2ccccc2)CC1 ZINC000090511538 494475283 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FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000057006100 494614942 /nfs/dbraw/zinc/61/49/42/494614942.db2.gz ZNBMCXCBANKWRB-IBGZPJMESA-N 0 3 368.437 3.231 20 5 FGBDHN Cc1ccc(CN2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587171 494677209 /nfs/dbraw/zinc/67/72/09/494677209.db2.gz RKNQFMIMNIIWAM-CALCHBBNSA-N 0 3 361.486 3.224 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116067487 494692348 /nfs/dbraw/zinc/69/23/48/494692348.db2.gz MZDBFTCCZNMIMY-INIZCTEOSA-N 0 3 367.449 3.479 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025308642 494720932 /nfs/dbraw/zinc/72/09/32/494720932.db2.gz SKEAIBULBUQXFB-PKOBYXMFSA-N 0 3 360.385 3.311 20 5 FGBDHN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OCCN(C)C)c1 ZINC000121366763 494723729 /nfs/dbraw/zinc/72/37/29/494723729.db2.gz XXFHMEDJIZQOBA-UHFFFAOYSA-N 0 3 358.398 3.488 20 5 FGBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121386302 494731683 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FGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134324961 495135210 /nfs/dbraw/zinc/13/52/10/495135210.db2.gz KROQBPROCYUCNU-ZDUSSCGKSA-N 0 3 351.422 3.364 20 5 FGBDHN O=C(CCN1CC[C@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000102845538 495166422 /nfs/dbraw/zinc/16/64/22/495166422.db2.gz NPPNADCKDZLFHC-KRWDZBQOSA-N 0 3 354.410 3.110 20 5 FGBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123720497 495176258 /nfs/dbraw/zinc/17/62/58/495176258.db2.gz OKDAEEYUQYGDPO-IBGZPJMESA-N 0 3 368.437 3.117 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000134946861 495228771 /nfs/dbraw/zinc/22/87/71/495228771.db2.gz ZUDZXGHCMMQKOY-VQIMIIECSA-N 0 3 367.449 3.307 20 5 FGBDHN COc1ccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000119865407 495257681 /nfs/dbraw/zinc/25/76/81/495257681.db2.gz JXYZGWTXUPFOSZ-HNNXBMFYSA-N 0 3 360.414 3.030 20 5 FGBDHN Cn1cc([C@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000104695016 495297820 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495766968 /nfs/dbraw/zinc/76/69/68/495766968.db2.gz UBTSTHIPBFIOHV-AWEZNQCLSA-N 0 3 356.426 3.137 20 5 FGBDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179932126 495789036 /nfs/dbraw/zinc/78/90/36/495789036.db2.gz KCRFYPDSRVPXAF-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN O=[N+]([O-])c1ccc(NCCCOC2CCN(Cc3ccccc3)CC2)nc1 ZINC000176811794 495796159 /nfs/dbraw/zinc/79/61/59/495796159.db2.gz GEOGJISALIXMHO-UHFFFAOYSA-N 0 3 370.453 3.473 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000151293365 495796555 /nfs/dbraw/zinc/79/65/55/495796555.db2.gz HLSIRCDATHLEEB-ABAIWWIYSA-N 0 3 371.359 3.170 20 5 FGBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000179987477 495811398 /nfs/dbraw/zinc/81/13/98/495811398.db2.gz MGCFGLCTCYIVMP-FQEVSTJZSA-N 0 3 369.465 3.385 20 5 FGBDHN CN1CCC(N(Cc2ccco2)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000155167085 495859796 /nfs/dbraw/zinc/85/97/96/495859796.db2.gz MRSGYQHMNVXSBF-UHFFFAOYSA-N 0 3 371.437 3.243 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000183214326 495882933 /nfs/dbraw/zinc/88/29/33/495882933.db2.gz OTVXVEXQPLPYLW-XIRDDKMYSA-N 0 3 360.458 3.090 20 5 FGBDHN CSc1cccc(C(=O)NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186247279 495912364 /nfs/dbraw/zinc/91/23/64/495912364.db2.gz MTBCLLZCCWWBBE-UHFFFAOYSA-N 0 3 359.451 3.179 20 5 FGBDHN Cc1cccc(CN2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000160316270 495934240 /nfs/dbraw/zinc/93/42/40/495934240.db2.gz QLBGWPVHYZANDT-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186314217 495942834 /nfs/dbraw/zinc/94/28/34/495942834.db2.gz NIWRHOIDAVNGHE-GFCCVEGCSA-N 0 3 371.384 3.191 20 5 FGBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000183359655 495946104 /nfs/dbraw/zinc/94/61/04/495946104.db2.gz WNBPFKKWMRTBOD-LSDHHAIUSA-N 0 3 362.451 3.150 20 5 FGBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccccc1 ZINC000183357441 495946309 /nfs/dbraw/zinc/94/63/09/495946309.db2.gz LVSGKXGVFMXQQW-CABCVRRESA-N 0 3 353.422 3.266 20 5 FGBDHN C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000151784790 495946352 /nfs/dbraw/zinc/94/63/52/495946352.db2.gz GPOWKZCIQZBHJU-JTQLQIEISA-N 0 3 355.320 3.166 20 5 FGBDHN C[C@@H](NC[C@H](O)COc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180393435 495979135 /nfs/dbraw/zinc/97/91/35/495979135.db2.gz DQCRJTKDMWOPSJ-DOMZBBRYSA-N 0 3 350.802 3.339 20 5 FGBDHN Cc1cc(C)cc([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000183490787 496007218 /nfs/dbraw/zinc/00/72/18/496007218.db2.gz WLQLFIGCZOTTJC-MRXNPFEDSA-N 0 3 353.422 3.300 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177303423 496011619 /nfs/dbraw/zinc/01/16/19/496011619.db2.gz KOARWFOZCPUQEJ-UHFFFAOYSA-N 0 3 353.382 3.093 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3ccccc3)o2)c1 ZINC000183632535 496055397 /nfs/dbraw/zinc/05/53/97/496055397.db2.gz ZQJIJBIMXAEDOW-KRWDZBQOSA-N 0 3 353.378 3.116 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160885663 496061148 /nfs/dbraw/zinc/06/11/48/496061148.db2.gz WKUCQLAFZXCQRP-HOCLYGCPSA-N 0 3 368.437 3.029 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000155817381 496078139 /nfs/dbraw/zinc/07/81/39/496078139.db2.gz GHYXJSIIZQAYAY-INIZCTEOSA-N 0 3 351.410 3.060 20 5 FGBDHN CC[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180639502 496081553 /nfs/dbraw/zinc/08/15/53/496081553.db2.gz MHQPNVDCPKTHRE-OAHLLOKOSA-N 0 3 358.394 3.486 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000174802382 496113027 /nfs/dbraw/zinc/11/30/27/496113027.db2.gz HHCRMFQOACGLQD-SFHVURJKSA-N 0 3 356.422 3.042 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000180720047 496117722 /nfs/dbraw/zinc/11/77/22/496117722.db2.gz YBUNPCPWMULTFI-AWEZNQCLSA-N 0 3 371.393 3.281 20 5 FGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCC(F)(F)F)cc1 ZINC000180941540 496209871 /nfs/dbraw/zinc/20/98/71/496209871.db2.gz FKLOUFPCWCXGHW-LLVKDONJSA-N 0 3 358.320 3.083 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC(C)CC1 ZINC000181071211 496259535 /nfs/dbraw/zinc/25/95/35/496259535.db2.gz VAVPFDIKAJAGHK-GFCCVEGCSA-N 0 3 371.384 3.046 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000153015933 496327622 /nfs/dbraw/zinc/32/76/22/496327622.db2.gz QGTVWGUXFXBRCR-UHFFFAOYSA-N 0 3 370.409 3.024 20 5 FGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181273838 496335300 /nfs/dbraw/zinc/33/53/00/496335300.db2.gz WUUFGVRBDVPCTB-CQSZACIVSA-N 0 3 371.393 3.281 20 5 FGBDHN C[C@@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000162381714 496345190 /nfs/dbraw/zinc/34/51/90/496345190.db2.gz OTBBLMLAQZMAKT-FQEVSTJZSA-N 0 3 353.422 3.379 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000153110862 496356417 /nfs/dbraw/zinc/35/64/17/496356417.db2.gz QPJPLPLJAKKVOG-UHFFFAOYSA-N 0 3 355.438 3.164 20 5 FGBDHN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187244969 496358032 /nfs/dbraw/zinc/35/80/32/496358032.db2.gz CABQNTKRKCODFH-FOIQADDNSA-N 0 3 355.438 3.335 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccccc1OCCO)C1CC1 ZINC000162828595 496418134 /nfs/dbraw/zinc/41/81/34/496418134.db2.gz RUVRDORAGSSVKS-GOSISDBHSA-N 0 3 356.422 3.077 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000172982046 496509099 /nfs/dbraw/zinc/50/90/99/496509099.db2.gz ZIEVMASYQUNCNF-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)c1ccccc1 ZINC000181786514 496544210 /nfs/dbraw/zinc/54/42/10/496544210.db2.gz DADOMACPWZCSMO-OAHLLOKOSA-N 0 3 367.449 3.440 20 5 FGBDHN CCCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000184888018 496572437 /nfs/dbraw/zinc/57/24/37/496572437.db2.gz JHCNWFUUOUKWGY-KRWDZBQOSA-N 0 3 354.472 3.317 20 5 FGBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000185008050 496620191 /nfs/dbraw/zinc/62/01/91/496620191.db2.gz ZFKDMKGALWVMJL-RDBSUJKOSA-N 0 3 351.422 3.074 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160666 496704887 /nfs/dbraw/zinc/70/48/87/496704887.db2.gz BMWHXMAECWFYBE-ZDUSSCGKSA-N 0 3 351.472 3.311 20 5 FGBDHN CCC[C@H](NCc1ccc(N2CCOCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000268756668 496776454 /nfs/dbraw/zinc/77/64/54/496776454.db2.gz LUNHXUKUVNPTAM-IBGZPJMESA-N 0 3 370.453 3.457 20 5 FGBDHN COc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191536875 496800942 /nfs/dbraw/zinc/80/09/42/496800942.db2.gz OSZBNWLKCYIACW-MRXNPFEDSA-N 0 3 369.421 3.045 20 5 FGBDHN CC(C)C[C@]1(CO)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191639653 496842417 /nfs/dbraw/zinc/84/24/17/496842417.db2.gz KAVIDEAUSMWUCQ-SFHVURJKSA-N 0 3 360.414 3.018 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000247426543 496856708 /nfs/dbraw/zinc/85/67/08/496856708.db2.gz KTLNFUVLGFMLMZ-HOTGVXAUSA-N 0 3 374.485 3.389 20 5 FGBDHN CN1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccccc1 ZINC000247923230 496927166 /nfs/dbraw/zinc/92/71/66/496927166.db2.gz CEWHQPXPILOHJE-RBUKOAKNSA-N 0 3 364.405 3.251 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192062305 496981940 /nfs/dbraw/zinc/98/19/40/496981940.db2.gz COUJJCSCQLZDQB-KZNAEPCWSA-N 0 3 362.813 3.401 20 5 FGBDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476432 497024044 /nfs/dbraw/zinc/02/40/44/497024044.db2.gz YFBUXZPDGXAEKH-NVXWUHKLSA-N 0 3 372.421 3.180 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000192461021 497121991 /nfs/dbraw/zinc/12/19/91/497121991.db2.gz GEEHDPURXGROOX-UHFFFAOYSA-N 0 3 359.451 3.093 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189486020 497133614 /nfs/dbraw/zinc/13/36/14/497133614.db2.gz LBOUKSNZQXPKMK-HZPDHXFCSA-N 0 3 351.472 3.212 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000274670435 497141587 /nfs/dbraw/zinc/14/15/87/497141587.db2.gz XREJZPHBSJXQKO-ACJLOTCBSA-N 0 3 357.410 3.025 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000270702786 497183280 /nfs/dbraw/zinc/18/32/80/497183280.db2.gz YKTLEZUSBFRWHL-DYVFJYSZSA-N 0 3 352.431 3.295 20 5 FGBDHN Cc1cccc(OC[C@@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192730410 497197767 /nfs/dbraw/zinc/19/77/67/497197767.db2.gz RBKWHZCWPWOIBV-FXAWDEMLSA-N 0 3 356.422 3.310 20 5 FGBDHN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192848769 497229227 /nfs/dbraw/zinc/22/92/27/497229227.db2.gz NZNLARUGFDESCG-VQTJNVASSA-N 0 3 367.449 3.261 20 5 FGBDHN O=[N+]([O-])c1c(NC[C@@H]2CCN(Cc3ccccc3)C2)nc2sccn21 ZINC000192955415 497258904 /nfs/dbraw/zinc/25/89/04/497258904.db2.gz WELNKADCAGHKOF-AWEZNQCLSA-N 0 3 357.439 3.238 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000266282844 497295219 /nfs/dbraw/zinc/29/52/19/497295219.db2.gz HAICOVUGBGNQFK-JQWIXIFHSA-N 0 3 359.348 3.168 20 5 FGBDHN CSc1ccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255956075 497380319 /nfs/dbraw/zinc/38/03/19/497380319.db2.gz VWAMWNGQMAGRDB-QWHCGFSZSA-N 0 3 351.472 3.167 20 5 FGBDHN O=C(Nc1ccc2c(c1F)CCNC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261834366 497459062 /nfs/dbraw/zinc/45/90/62/497459062.db2.gz ZGOSKEHYBUCVOL-UHFFFAOYSA-N 0 3 370.384 3.206 20 5 FGBDHN Cc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000193788778 497482143 /nfs/dbraw/zinc/48/21/43/497482143.db2.gz YYXYNJJPPDMJFM-QGZVFWFLSA-N 0 3 353.422 3.155 20 5 FGBDHN COc1cc(CN[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272347703 497603272 /nfs/dbraw/zinc/60/32/72/497603272.db2.gz CSDXZDWPHYLDHP-LBPRGKRZSA-N 0 3 374.384 3.295 20 5 FGBDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246244218 497673719 /nfs/dbraw/zinc/67/37/19/497673719.db2.gz XEVGNHJCPAECEP-VQIMIIECSA-N 0 3 372.421 3.180 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNCCCCn1cc(Br)cn1 ZINC000280540680 497785303 /nfs/dbraw/zinc/78/53/03/497785303.db2.gz JFUZJZJFIDCOEY-UHFFFAOYSA-N 0 3 353.220 3.124 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301129038 497964796 /nfs/dbraw/zinc/96/47/96/497964796.db2.gz YOYCGPHCFPUEFO-INIZCTEOSA-N 0 3 368.437 3.031 20 5 FGBDHN CN1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000364676803 498084492 /nfs/dbraw/zinc/08/44/92/498084492.db2.gz YATHBCQSXRNQCU-KSSFIOAISA-N 0 3 360.845 3.426 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](c1ccccc1)N1CCOCC1 ZINC000569624448 505978772 /nfs/dbraw/zinc/97/87/72/505978772.db2.gz ZJOCPDQKTVMGPG-PZJWPPBQSA-N 0 3 367.449 3.245 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285542477 498122372 /nfs/dbraw/zinc/12/23/72/498122372.db2.gz LQQJCRAZATXWQB-JKIFEVAISA-N 0 3 371.441 3.264 20 5 FGBDHN C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000289488368 498165912 /nfs/dbraw/zinc/16/59/12/498165912.db2.gz RHHOSSGDXDSJSF-YLQAJVPDSA-N 0 3 354.362 3.076 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000296779558 498193281 /nfs/dbraw/zinc/19/32/81/498193281.db2.gz RWWDSEJMYICJAW-ZDUSSCGKSA-N 0 3 372.381 3.491 20 5 FGBDHN COc1cc(CN[C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000292923582 498197552 /nfs/dbraw/zinc/19/75/52/498197552.db2.gz BZQSEGCHXSGICG-HNNXBMFYSA-N 0 3 374.384 3.092 20 5 FGBDHN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000581544290 506012148 /nfs/dbraw/zinc/01/21/48/506012148.db2.gz WCXHOPGBFMVHPA-OAHLLOKOSA-N 0 3 350.802 3.086 20 5 FGBDHN Cc1ccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N2CCCC2)cc1 ZINC000301958410 498344277 /nfs/dbraw/zinc/34/42/77/498344277.db2.gz GJOAPABKWPASKH-INIZCTEOSA-N 0 3 366.425 3.195 20 5 FGBDHN O=[N+]([O-])c1cnc2ccc(NCC3CCN(Cc4cccs4)CC3)nn21 ZINC000301999090 498362803 /nfs/dbraw/zinc/36/28/03/498362803.db2.gz POLDKVRKWWTDFY-UHFFFAOYSA-N 0 3 372.454 3.023 20 5 FGBDHN COc1ccccc1C1CC([NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])C1 ZINC000361269418 498368716 /nfs/dbraw/zinc/36/87/16/498368716.db2.gz SPEWTBNGVDNBHF-UHFFFAOYSA-N 0 3 358.394 3.353 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672863 498417255 /nfs/dbraw/zinc/41/72/55/498417255.db2.gz YRNSUJDIXKOVQD-IEBWSBKVSA-N 0 3 366.421 3.055 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000302620414 498519713 /nfs/dbraw/zinc/51/97/13/498519713.db2.gz DKEKWDOUZLZQDZ-ZDUSSCGKSA-N 0 3 354.882 3.242 20 5 FGBDHN C[S@](=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000282514444 498541320 /nfs/dbraw/zinc/54/13/20/498541320.db2.gz XTHRRRDLCNVHGR-QHCPKHFHSA-N 0 3 350.465 3.324 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157441 498581958 /nfs/dbraw/zinc/58/19/58/498581958.db2.gz XVBDHFPMMZDRRI-BBWFWOEESA-N 0 3 361.486 3.477 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)c1ccccc1 ZINC000572826708 506061688 /nfs/dbraw/zinc/06/16/88/506061688.db2.gz JRBRUVYYDZTUSJ-GOSISDBHSA-N 0 3 370.453 3.449 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000311591689 498752031 /nfs/dbraw/zinc/75/20/31/498752031.db2.gz DEDPDZXDCIEFKM-MRXNPFEDSA-N 0 3 355.394 3.068 20 5 FGBDHN Cc1ccc([C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)N2CCCC2)o1 ZINC000570126599 506096291 /nfs/dbraw/zinc/09/62/91/506096291.db2.gz GAKMRFFSFSKWFX-INIZCTEOSA-N 0 3 367.409 3.110 20 5 FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295406813 499007101 /nfs/dbraw/zinc/00/71/01/499007101.db2.gz WAVRMWVEFNHYRQ-WCQYABFASA-N 0 3 371.359 3.312 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284129487 499053953 /nfs/dbraw/zinc/05/39/53/499053953.db2.gz UQVOTHWSCOSJJA-NEPJUHHUSA-N 0 3 352.822 3.339 20 5 FGBDHN C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269722 506129454 /nfs/dbraw/zinc/12/94/54/506129454.db2.gz FAMADWPCFMVTET-UZLBHIALSA-N 0 3 367.449 3.479 20 5 FGBDHN C[C@@H](CO)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000576334820 506133495 /nfs/dbraw/zinc/13/34/95/506133495.db2.gz IZJSYPSJWPXIMB-JTQLQIEISA-N 0 3 369.215 3.430 20 5 FGBDHN C[C@H]([NH2+]C1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372785974 499175204 /nfs/dbraw/zinc/17/52/04/499175204.db2.gz WMRWIGZJLUWWGR-AWEZNQCLSA-N 0 3 369.421 3.256 20 5 FGBDHN C[C@@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000367432406 499198426 /nfs/dbraw/zinc/19/84/26/499198426.db2.gz RTWAVVYLRNUTML-CRAIPNDOSA-N 0 3 353.422 3.089 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC(=O)N(C)[C@H]1c1cccs1 ZINC000370375671 499214791 /nfs/dbraw/zinc/21/47/91/499214791.db2.gz WTBOEZPVQJMUGK-MAUKXSAKSA-N 0 3 359.451 3.416 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369567033 499419025 /nfs/dbraw/zinc/41/90/25/499419025.db2.gz GFUNKDFOSIAHGZ-KBXCAEBGSA-N 0 3 359.451 3.008 20 5 FGBDHN CCOc1cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000369596758 499424590 /nfs/dbraw/zinc/42/45/90/499424590.db2.gz KODZTPZISPCTQN-FQEVSTJZSA-N 0 3 367.405 3.089 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000373163395 499454649 /nfs/dbraw/zinc/45/46/49/499454649.db2.gz KUJKRCHRLINPFZ-LPHOPBHVSA-N 0 3 368.437 3.063 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1F ZINC000375155853 499490151 /nfs/dbraw/zinc/49/01/51/499490151.db2.gz BLWJEIHBLCLBEX-AWEZNQCLSA-N 0 3 373.384 3.012 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397494667 499563961 /nfs/dbraw/zinc/56/39/61/499563961.db2.gz AHHCTGGBPXTYSU-UHFFFAOYSA-N 0 3 359.401 3.173 20 5 FGBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCN(C)CC2)cc1OC ZINC000411153526 499703908 /nfs/dbraw/zinc/70/39/08/499703908.db2.gz JKLYLALIABAWBD-OAHLLOKOSA-N 0 3 365.474 3.166 20 5 FGBDHN Cc1ccc([C@@H](C)NCCC(=O)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000411478255 499745925 /nfs/dbraw/zinc/74/59/25/499745925.db2.gz UESDZFAHMHWEEJ-CQSZACIVSA-N 0 3 370.409 3.292 20 5 FGBDHN C[C@@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377990071 499753864 /nfs/dbraw/zinc/75/38/64/499753864.db2.gz HDYLMKNAKIUHND-CZUORRHYSA-N 0 3 371.441 3.170 20 5 FGBDHN Cc1cc(NCc2cccnc2-n2ccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000377999016 499754378 /nfs/dbraw/zinc/75/43/78/499754378.db2.gz CGZQADHSWWYZAH-UHFFFAOYSA-N 0 3 360.377 3.066 20 5 FGBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414222360 499769268 /nfs/dbraw/zinc/76/92/68/499769268.db2.gz OFFCMGWQLAMRBM-YHBQJITHSA-N 0 3 369.421 3.214 20 5 FGBDHN COc1cc(CNC[C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414518060 499801977 /nfs/dbraw/zinc/80/19/77/499801977.db2.gz ROKNYFNZMJDBFH-UTUOFQBUSA-N 0 3 374.384 3.150 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000415484850 499896061 /nfs/dbraw/zinc/89/60/61/499896061.db2.gz ORKXAGNSFUUJSO-JKSUJKDBSA-N 0 3 354.410 3.170 20 5 FGBDHN Cc1c(CNC(=O)Nc2ccc3c(c2F)CCNC3)cccc1[N+](=O)[O-] ZINC000415979237 499936501 /nfs/dbraw/zinc/93/65/01/499936501.db2.gz WGSGCWGPAWYVRS-UHFFFAOYSA-N 0 3 358.373 3.010 20 5 FGBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000413310448 499940377 /nfs/dbraw/zinc/94/03/77/499940377.db2.gz NHIFZPOKVAOCEE-HZPDHXFCSA-N 0 3 356.401 3.087 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007579 499980551 /nfs/dbraw/zinc/98/05/51/499980551.db2.gz VSXURWFDGLIMGI-ZRGWGRIASA-N 0 3 370.453 3.412 20 5 FGBDHN COc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000417192189 500000469 /nfs/dbraw/zinc/00/04/69/500000469.db2.gz YRFITCQYFWPLDM-UHFFFAOYSA-N 0 3 374.397 3.188 20 5 FGBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429286141 500042762 /nfs/dbraw/zinc/04/27/62/500042762.db2.gz PWFROUFXHXIKNR-LSDHHAIUSA-N 0 3 369.849 3.370 20 5 FGBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429288170 500043278 /nfs/dbraw/zinc/04/32/78/500043278.db2.gz OCEXKSZSKWPALI-LSDHHAIUSA-N 0 3 369.849 3.370 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000421433187 500046456 /nfs/dbraw/zinc/04/64/56/500046456.db2.gz MFFMVWXPSNQMML-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)[C@H]1OC ZINC000429303492 500047399 /nfs/dbraw/zinc/04/73/99/500047399.db2.gz WKNNOKXMEXTZHR-FSPWUOQZSA-N 0 3 363.458 3.271 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)[C@@H]1OC ZINC000429303501 500047653 /nfs/dbraw/zinc/04/76/53/500047653.db2.gz WKNNOKXMEXTZHR-XWIAVFTESA-N 0 3 363.458 3.271 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000430198808 500207734 /nfs/dbraw/zinc/20/77/34/500207734.db2.gz ACZJRSXBCKSGGR-IBGZPJMESA-N 0 3 355.438 3.310 20 5 FGBDHN COc1cc(CN[C@H]2C[C@@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000418109443 500231219 /nfs/dbraw/zinc/23/12/19/500231219.db2.gz IDZRFCHXRLZLIX-MOBUCQHHSA-N 0 3 372.421 3.185 20 5 FGBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427604824 500410686 /nfs/dbraw/zinc/41/06/86/500410686.db2.gz SOSVBTHNDDZFPA-PHIMTYICSA-N 0 3 359.348 3.103 20 5 FGBDHN CN(C[C@H]1CCCN1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420637954 500480919 /nfs/dbraw/zinc/48/09/19/500480919.db2.gz PSGLICAEPDDPKD-SECBINFHSA-N 0 3 368.306 3.174 20 5 FGBDHN C[C@@H]1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000420906792 500527531 /nfs/dbraw/zinc/52/75/31/500527531.db2.gz TVODRMRRCRBZLX-TZMCWYRMSA-N 0 3 373.375 3.303 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433048638 500613501 /nfs/dbraw/zinc/61/35/01/500613501.db2.gz XWEFFYCLXNOCNN-IEBWSBKVSA-N 0 3 356.422 3.214 20 5 FGBDHN CCOc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447529627 500617852 /nfs/dbraw/zinc/61/78/52/500617852.db2.gz MHBIQWTYULCEOG-JKSUJKDBSA-N 0 3 374.441 3.472 20 5 FGBDHN COc1ccc(OC)c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529234 500617964 /nfs/dbraw/zinc/61/79/64/500617964.db2.gz KYDZNUHPIVOMKV-JKSUJKDBSA-N 0 3 360.414 3.082 20 5 FGBDHN CC(C)Oc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447538167 500620299 /nfs/dbraw/zinc/62/02/99/500620299.db2.gz ARDRWCVQPNWZRA-CVEARBPZSA-N 0 3 359.430 3.247 20 5 FGBDHN CCOc1cc(CN(CCOC)[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433182414 500641203 /nfs/dbraw/zinc/64/12/03/500641203.db2.gz NVADPOKQKMHGAG-OAHLLOKOSA-N 0 3 354.472 3.338 20 5 FGBDHN CC(C)c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000433947283 500769869 /nfs/dbraw/zinc/76/98/69/500769869.db2.gz CAOPKZNNVXOAOX-PKOBYXMFSA-N 0 3 358.442 3.462 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438901437 500833454 /nfs/dbraw/zinc/83/34/54/500833454.db2.gz IJMOMFLUBHUXDE-VQIMIIECSA-N 0 3 367.449 3.397 20 5 FGBDHN CCOC(=O)[C@]1(COC)CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000439464537 500900260 /nfs/dbraw/zinc/90/02/60/500900260.db2.gz CTQSJJJRGPURRF-DNVCBOLYSA-N 0 3 364.442 3.256 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(C(=O)NC2CC2)c1 ZINC000449104719 500926399 /nfs/dbraw/zinc/92/63/99/500926399.db2.gz WVVQJFQXDOZJGA-AWEZNQCLSA-N 0 3 353.422 3.208 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc(OC2CCOCC2)c1 ZINC000449138493 500933427 /nfs/dbraw/zinc/93/34/27/500933427.db2.gz IHCWLZKJQUHBPN-HNNXBMFYSA-N 0 3 371.437 3.268 20 5 FGBDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449294481 500969224 /nfs/dbraw/zinc/96/92/24/500969224.db2.gz LRIDYBOZCCCPRT-LBPRGKRZSA-N 0 3 368.480 3.171 20 5 FGBDHN CCN1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435837172 501035050 /nfs/dbraw/zinc/03/50/50/501035050.db2.gz SDPHVQXKIDBGTF-UHFFFAOYSA-N 0 3 367.424 3.035 20 5 FGBDHN COC(=O)c1cc(NC[C@@H](c2cccs2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440742796 501044913 /nfs/dbraw/zinc/04/49/13/501044913.db2.gz VPOZNLBUIVZFNE-AWEZNQCLSA-N 0 3 363.439 3.466 20 5 FGBDHN CO[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630401 501046757 /nfs/dbraw/zinc/04/67/57/501046757.db2.gz HUENVUNUSJYUSU-ZWKOTPCHSA-N 0 3 370.453 3.385 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCc1cn2c(n1)SCC2 ZINC000602613009 506232346 /nfs/dbraw/zinc/23/23/46/506232346.db2.gz WUGMFQHLGAGCPY-UHFFFAOYSA-N 0 3 372.372 3.248 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000449775352 501083500 /nfs/dbraw/zinc/08/35/00/501083500.db2.gz MHCZTDBWCVHADN-AWEZNQCLSA-N 0 3 358.394 3.306 20 5 FGBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000441076338 501084194 /nfs/dbraw/zinc/08/41/94/501084194.db2.gz DCYCIOKKPZEDTM-UYAOXDASSA-N 0 3 370.449 3.460 20 5 FGBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450361869 501100309 /nfs/dbraw/zinc/10/03/09/501100309.db2.gz GSYIQQUVEXBHNW-KRWDZBQOSA-N 0 3 355.442 3.042 20 5 FGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000450395566 501110520 /nfs/dbraw/zinc/11/05/20/501110520.db2.gz URDXWTMAIHQWPR-SFHVURJKSA-N 0 3 370.453 3.224 20 5 FGBDHN CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCN1Cc1ccccc1 ZINC000450423555 501119078 /nfs/dbraw/zinc/11/90/78/501119078.db2.gz IYSQCLPNZPNSKO-QGZVFWFLSA-N 0 3 355.442 3.184 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000447077614 501202093 /nfs/dbraw/zinc/20/20/93/501202093.db2.gz OAVCYYPFRSCQBN-ROUUACIJSA-N 0 3 355.438 3.198 20 5 FGBDHN CCN(CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC000588225832 506242176 /nfs/dbraw/zinc/24/21/76/506242176.db2.gz DWUZNWNXDXNYJL-UHFFFAOYSA-N 0 3 365.477 3.001 20 5 FGBDHN CCCCO[C@@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000450964694 501235468 /nfs/dbraw/zinc/23/54/68/501235468.db2.gz DKYMARVQPCBVKR-JKSUJKDBSA-N 0 3 363.458 3.415 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000453235762 501296099 /nfs/dbraw/zinc/29/60/99/501296099.db2.gz MYRHJFIECXKZDV-DZGCQCFKSA-N 0 3 360.435 3.125 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272461 501304601 /nfs/dbraw/zinc/30/46/01/501304601.db2.gz UYCFTQOKKDOZEC-SFTDATJTSA-N 0 3 369.465 3.121 20 5 FGBDHN Cn1cc(-c2cc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cn1 ZINC000451553632 501321490 /nfs/dbraw/zinc/32/14/90/501321490.db2.gz YFGPNLDOBBLUCB-OAHLLOKOSA-N 0 3 367.409 3.363 20 5 FGBDHN COc1ccccc1[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCCCC1 ZINC000596086644 506249813 /nfs/dbraw/zinc/24/98/13/506249813.db2.gz VGAKZJWNNHEFDD-MRXNPFEDSA-N 0 3 372.425 3.343 20 5 FGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451769685 501369126 /nfs/dbraw/zinc/36/91/26/501369126.db2.gz AQSUZCAYMGXERW-CVEARBPZSA-N 0 3 350.415 3.203 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOCC12CCCCC2 ZINC000451815811 501378741 /nfs/dbraw/zinc/37/87/41/501378741.db2.gz NBVNBOWMBBSOAM-UHFFFAOYSA-N 0 3 361.442 3.267 20 5 FGBDHN Cn1ccnc1[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665362 506251307 /nfs/dbraw/zinc/25/13/07/506251307.db2.gz HPNIKMNRGAPOJO-GFCCVEGCSA-N 0 3 354.332 3.337 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC000452055479 501426241 /nfs/dbraw/zinc/42/62/41/501426241.db2.gz CCRHXPJDJIVLEK-ILXRZTDVSA-N 0 3 354.472 3.173 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCN(c4ccccc4F)C3)nc2c1 ZINC000602674518 506256244 /nfs/dbraw/zinc/25/62/44/506256244.db2.gz DPHMYFWNUOVBCQ-CYBMUJFWSA-N 0 3 370.384 3.491 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087553 501648103 /nfs/dbraw/zinc/64/81/03/501648103.db2.gz PZBMKQAZCZVBCA-ZFWWWQNUSA-N 0 3 351.472 3.017 20 5 FGBDHN CC1(C)Cc2ccsc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459583368 501681342 /nfs/dbraw/zinc/68/13/42/501681342.db2.gz PCTQKXPPMWCFSZ-CQSZACIVSA-N 0 3 362.451 3.233 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)CCCc1cccnc1 ZINC000459650432 501693339 /nfs/dbraw/zinc/69/33/39/501693339.db2.gz XXCDJDMFRJPHQO-HNNXBMFYSA-N 0 3 356.426 3.238 20 5 FGBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602710024 506270698 /nfs/dbraw/zinc/27/06/98/506270698.db2.gz VKOAKNCLENHWAY-ORPWPGRKSA-N 0 3 364.389 3.393 20 5 FGBDHN COC(=O)COc1ccc(CNC2(c3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000474344149 501798245 /nfs/dbraw/zinc/79/82/45/501798245.db2.gz GUXFBNNGDMBSBD-UHFFFAOYSA-N 0 3 370.405 3.316 20 5 FGBDHN COC(=O)COc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000474356782 501803914 /nfs/dbraw/zinc/80/39/14/501803914.db2.gz ODTRMKUSWPLWRU-FQEVSTJZSA-N 0 3 370.405 3.388 20 5 FGBDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843366 501805808 /nfs/dbraw/zinc/80/58/08/501805808.db2.gz CATXSTAHEPTOMR-ZWKOTPCHSA-N 0 3 364.442 3.262 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000470945650 501864101 /nfs/dbraw/zinc/86/41/01/501864101.db2.gz NKFWZRTXOMUNRO-HNNXBMFYSA-N 0 3 371.437 3.244 20 5 FGBDHN COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000464083997 501894479 /nfs/dbraw/zinc/89/44/79/501894479.db2.gz WPVFDEJJTYLBFY-DLBZAZTESA-N 0 3 352.431 3.294 20 5 FGBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592874569 506285630 /nfs/dbraw/zinc/28/56/30/506285630.db2.gz TVKHIBSPVKQTQV-MRXNPFEDSA-N 0 3 356.426 3.048 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000478644678 502043259 /nfs/dbraw/zinc/04/32/59/502043259.db2.gz UJYCHVKFYBXASO-KFWWJZLASA-N 0 3 365.499 3.455 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475091993 502053630 /nfs/dbraw/zinc/05/36/30/502053630.db2.gz KXVVHDAWATZDCM-CQSZACIVSA-N 0 3 350.415 3.015 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000468494535 502080684 /nfs/dbraw/zinc/08/06/84/502080684.db2.gz CQADXFDKJOJUOI-QGZVFWFLSA-N 0 3 362.474 3.024 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccnc1N1CCOCC1 ZINC000468622156 502128872 /nfs/dbraw/zinc/12/88/72/502128872.db2.gz PUNGCGJTYVSZNU-FOWTUZBSSA-N 0 3 368.437 3.020 20 5 FGBDHN CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783727 502200327 /nfs/dbraw/zinc/20/03/27/502200327.db2.gz FEWWFDVIJIBGRB-CYBMUJFWSA-N 0 3 374.407 3.360 20 5 FGBDHN Cc1cccc(CC2(O)CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000482941585 502222117 /nfs/dbraw/zinc/22/21/17/502222117.db2.gz AUINDRRCFNMUKU-UHFFFAOYSA-N 0 3 370.449 3.352 20 5 FGBDHN Cc1cc(NCc2ccccc2CN2CC[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000461936267 502244230 /nfs/dbraw/zinc/24/42/30/502244230.db2.gz MVIFZMQIBNCPRR-INIZCTEOSA-N 0 3 359.401 3.221 20 5 FGBDHN CN(C)[C@]1(CNc2ccc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000479436838 502259672 /nfs/dbraw/zinc/25/96/72/502259672.db2.gz KOEBDOSWKUFNTP-ZDUSSCGKSA-N 0 3 360.277 3.207 20 5 FGBDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338995 502321250 /nfs/dbraw/zinc/32/12/50/502321250.db2.gz AWJQAWNPUTVBHE-GOEBONIOSA-N 0 3 353.422 3.147 20 5 FGBDHN CN(CCOc1ccccc1C(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000483307879 502345705 /nfs/dbraw/zinc/34/57/05/502345705.db2.gz HYORRRSBAMBYSB-UHFFFAOYSA-N 0 3 373.453 3.065 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCCC1 ZINC000480011212 502444641 /nfs/dbraw/zinc/44/46/41/502444641.db2.gz JMNDVGRUQWZFSC-UHFFFAOYSA-N 0 3 367.519 3.283 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000462603431 502502899 /nfs/dbraw/zinc/50/28/99/502502899.db2.gz PNZQMACXJAWEHS-DOTOQJQBSA-N 0 3 361.486 3.352 20 5 FGBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000466243615 502514607 /nfs/dbraw/zinc/51/46/07/502514607.db2.gz VIXGTCCJOHWKEJ-STQMWFEESA-N 0 3 368.865 3.168 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000487813833 502536092 /nfs/dbraw/zinc/53/60/92/502536092.db2.gz BMUUZZRNPMTLBZ-LSDHHAIUSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@@H]1[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000466472691 502579484 /nfs/dbraw/zinc/57/94/84/502579484.db2.gz HGDJETIMNJDMCX-YIVYUSPDSA-N 0 3 365.433 3.387 20 5 FGBDHN COCC[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000466473231 502580967 /nfs/dbraw/zinc/58/09/67/502580967.db2.gz JWWIXIVFCFUVLD-OAHLLOKOSA-N 0 3 364.373 3.013 20 5 FGBDHN CN1CCC[C@]2(CCN(c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000596242916 506326539 /nfs/dbraw/zinc/32/65/39/506326539.db2.gz DKBSMTWHAVQAIL-HNNXBMFYSA-N 0 3 354.248 3.279 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473506499 502614200 /nfs/dbraw/zinc/61/42/00/502614200.db2.gz IIWKATWOMIDSMB-FQEVSTJZSA-N 0 3 368.437 3.051 20 5 FGBDHN COc1cc(NCCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000462932013 502631335 /nfs/dbraw/zinc/63/13/35/502631335.db2.gz PPOGADWSCOSFCQ-UHFFFAOYSA-N 0 3 370.453 3.228 20 5 FGBDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139957 502675042 /nfs/dbraw/zinc/67/50/42/502675042.db2.gz BZAGAEREAAKVAJ-SKDZVZGDSA-N 0 3 371.462 3.409 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCCCC2=O)CC1 ZINC000470176593 502696642 /nfs/dbraw/zinc/69/66/42/502696642.db2.gz MAGYANNVSJSOCH-SSZFMOIBSA-N 0 3 357.454 3.475 20 5 FGBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470180583 502699241 /nfs/dbraw/zinc/69/92/41/502699241.db2.gz PHSWLKMUWYTIKS-VIZXMXCYSA-N 0 3 360.454 3.250 20 5 FGBDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470215651 502706743 /nfs/dbraw/zinc/70/67/43/502706743.db2.gz XASARDNKIDVSLM-MLCXVWHNSA-N 0 3 362.426 3.041 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457832 502719584 /nfs/dbraw/zinc/71/95/84/502719584.db2.gz MNEXGCMHOSFKBH-HNAYVOBHSA-N 0 3 353.422 3.235 20 5 FGBDHN CC[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000466934455 502731678 /nfs/dbraw/zinc/73/16/78/502731678.db2.gz PAGRJBLTHWMOIP-QZTJIDSGSA-N 0 3 356.422 3.171 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000488538311 502743887 /nfs/dbraw/zinc/74/38/87/502743887.db2.gz CRIREMSCWJLMQX-OAHLLOKOSA-N 0 3 362.474 3.250 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000593010359 506333472 /nfs/dbraw/zinc/33/34/72/506333472.db2.gz BZJKPCSTHJDPNM-IBGZPJMESA-N 0 3 373.428 3.476 20 5 FGBDHN CN(C)Cc1ccc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1 ZINC000484945993 502784262 /nfs/dbraw/zinc/78/42/62/502784262.db2.gz KYXLHHMRFUSWTO-UHFFFAOYSA-N 0 3 368.349 3.102 20 5 FGBDHN CCc1csc(CC2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)n1 ZINC000602875021 506334149 /nfs/dbraw/zinc/33/41/49/506334149.db2.gz XRGAGDHAJVGASU-UHFFFAOYSA-N 0 3 363.487 3.073 20 5 FGBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484985863 502793877 /nfs/dbraw/zinc/79/38/77/502793877.db2.gz SRNSXWNIPAWDNC-OAHLLOKOSA-N 0 3 364.490 3.210 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(N2CCCOCC2)CC1 ZINC000596268131 506334768 /nfs/dbraw/zinc/33/47/68/506334768.db2.gz GQJBIUFGDJBCHV-UHFFFAOYSA-N 0 3 373.375 3.305 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1CCCCC1 ZINC000504911829 502822816 /nfs/dbraw/zinc/82/28/16/502822816.db2.gz MGVLJTUPIVCXHR-HUUCEWRRSA-N 0 3 365.499 3.456 20 5 FGBDHN CC(C)c1ccc(CNCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000513036698 502835720 /nfs/dbraw/zinc/83/57/20/502835720.db2.gz OMCBRQJQOGDUJJ-UHFFFAOYSA-N 0 3 367.247 3.467 20 5 FGBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513224323 502883205 /nfs/dbraw/zinc/88/32/05/502883205.db2.gz UCVZGFCQOVWWKX-LBPRGKRZSA-N 0 3 353.382 3.151 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489907490 503061696 /nfs/dbraw/zinc/06/16/96/503061696.db2.gz CVHDJOFAXXSTIZ-KBMXLJTQSA-N 0 3 362.474 3.384 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489907165 503061794 /nfs/dbraw/zinc/06/17/94/503061794.db2.gz CVHDJOFAXXSTIZ-BMFZPTHFSA-N 0 3 362.474 3.384 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000510519025 503131280 /nfs/dbraw/zinc/13/12/80/503131280.db2.gz BWLQPGNMKUGXIU-YWZLYKJASA-N 0 3 355.438 3.253 20 5 FGBDHN CCCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510548016 503141407 /nfs/dbraw/zinc/14/14/07/503141407.db2.gz PRKPSUGVALDDQQ-CXAGYDPISA-N 0 3 373.457 3.000 20 5 FGBDHN C[C@@H](CC(N)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000498380481 503174841 /nfs/dbraw/zinc/17/48/41/503174841.db2.gz INKAVJPMWMJADK-NSHDSACASA-N 0 3 363.801 3.394 20 5 FGBDHN C[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000490515381 503187234 /nfs/dbraw/zinc/18/72/34/503187234.db2.gz VZPIZFTVYXJUTO-SFHVURJKSA-N 0 3 359.451 3.441 20 5 FGBDHN CN(C)C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599172804 506359757 /nfs/dbraw/zinc/35/97/57/506359757.db2.gz QXKVCTBTOORBMS-ZDUSSCGKSA-N 0 3 356.213 3.406 20 5 FGBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000507240155 503258105 /nfs/dbraw/zinc/25/81/05/503258105.db2.gz BKUYTLXZJBCDSG-IBGZPJMESA-N 0 3 369.421 3.169 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000599187216 506365607 /nfs/dbraw/zinc/36/56/07/506365607.db2.gz NVUSSLVCTIVROJ-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503403214 503401818 /nfs/dbraw/zinc/40/18/18/503401818.db2.gz CUZTXAITJHOEAV-MRXNPFEDSA-N 0 3 370.453 3.386 20 5 FGBDHN COc1cc(CNC[C@@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493737130 503443498 /nfs/dbraw/zinc/44/34/98/503443498.db2.gz QVHGZGIYDGMCGX-NSHDSACASA-N 0 3 362.398 3.233 20 5 FGBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000516103187 503446282 /nfs/dbraw/zinc/44/62/82/503446282.db2.gz ATPAHPFTAAWKTI-OZVIIMIRSA-N 0 3 351.834 3.051 20 5 FGBDHN Cc1nn2c(nc(C(C)C)c2CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000499706345 503462652 /nfs/dbraw/zinc/46/26/52/503462652.db2.gz QJNHEAJRVTYUPR-UHFFFAOYSA-N 0 3 359.455 3.463 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593069082 506373517 /nfs/dbraw/zinc/37/35/17/506373517.db2.gz RRDVHFPRRDBUAW-RTWAWAEBSA-N 0 3 367.449 3.070 20 5 FGBDHN Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000493998127 503472893 /nfs/dbraw/zinc/47/28/93/503472893.db2.gz BYWPVHRBVBZWBH-CRAIPNDOSA-N 0 3 353.422 3.296 20 5 FGBDHN COc1cc(CN[C@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000512198348 503484223 /nfs/dbraw/zinc/48/42/23/503484223.db2.gz AYYJWJQKQOVFIP-ONGXEEELSA-N 0 3 362.398 3.088 20 5 FGBDHN COc1cc(CNc2nccn2Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000508516963 503509997 /nfs/dbraw/zinc/50/99/97/503509997.db2.gz VVDUTKFRCWDWOC-UHFFFAOYSA-N 0 3 354.366 3.166 20 5 FGBDHN CC(F)(F)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516563868 503538239 /nfs/dbraw/zinc/53/82/39/503538239.db2.gz XGLUUWYFNOVFBN-MRXNPFEDSA-N 0 3 366.364 3.236 20 5 FGBDHN CCN(CC)C(=O)C[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494475940 503548683 /nfs/dbraw/zinc/54/86/83/503548683.db2.gz NJTHMLYDQOXDAU-LLVKDONJSA-N 0 3 361.364 3.350 20 5 FGBDHN COC(=O)[C@]1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000504568463 503589894 /nfs/dbraw/zinc/58/98/94/503589894.db2.gz PBCSCWQVYXXAMW-BFUOFWGJSA-N 0 3 358.394 3.486 20 5 FGBDHN COc1ccc2c(c1)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000532929908 503659926 /nfs/dbraw/zinc/65/99/26/503659926.db2.gz PVODZAOLDNYGQK-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H](C)O1 ZINC000546182222 503660772 /nfs/dbraw/zinc/66/07/72/503660772.db2.gz XWFLKJSBQOTXFQ-CHWSQXEVSA-N 0 3 373.400 3.498 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1)C[C@H](C)O ZINC000532973554 503683698 /nfs/dbraw/zinc/68/36/98/503683698.db2.gz IJPUTWWLVNRNFI-INIZCTEOSA-N 0 3 371.437 3.115 20 5 FGBDHN Cc1cc(C)cc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246755 503698397 /nfs/dbraw/zinc/69/83/97/503698397.db2.gz ONDSULLHGRVRSB-PKOBYXMFSA-N 0 3 370.449 3.441 20 5 FGBDHN O=C([C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)N1CCCC1 ZINC000517438809 503745929 /nfs/dbraw/zinc/74/59/29/503745929.db2.gz LAGWUVMLKMJRFT-MRXNPFEDSA-N 0 3 369.421 3.299 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCN(C)c1ccccc1 ZINC000533282015 503790508 /nfs/dbraw/zinc/79/05/08/503790508.db2.gz IXNCBDDPXSTYLZ-UHFFFAOYSA-N 0 3 370.453 3.300 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1ccccn1 ZINC000533484748 503861979 /nfs/dbraw/zinc/86/19/79/503861979.db2.gz ZBMMHGBUORDNKH-MRXNPFEDSA-N 0 3 368.393 3.125 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000546967560 503940999 /nfs/dbraw/zinc/94/09/99/503940999.db2.gz HQKRYLSANMQFGS-INIZCTEOSA-N 0 3 365.393 3.419 20 5 FGBDHN CN(C(=O)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 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ZINC000564128365 505333157 /nfs/dbraw/zinc/33/31/57/505333157.db2.gz DSPVOBSSZYXDMN-CYBMUJFWSA-N 0 3 359.348 3.018 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCSc3ccccc32)c1 ZINC000551999836 505366659 /nfs/dbraw/zinc/36/66/59/505366659.db2.gz QVYZMRIUZNOUGR-WMLDXEAASA-N 0 3 360.435 3.161 20 5 FGBDHN C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000561534473 505371675 /nfs/dbraw/zinc/37/16/75/505371675.db2.gz NTGSGNRGUVCLSM-CQSZACIVSA-N 0 3 372.469 3.116 20 5 FGBDHN COc1ccc(-c2ccc(CNC[C@@H](C)Cn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000555190955 505375232 /nfs/dbraw/zinc/37/52/32/505375232.db2.gz VEUDZBHAZBMOCX-CQSZACIVSA-N 0 3 370.409 3.486 20 5 FGBDHN Cc1c([C@@H](C)NCCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000552096529 505397648 /nfs/dbraw/zinc/39/76/48/505397648.db2.gz DEDZHCVXOGJDKA-LLVKDONJSA-N 0 3 353.220 3.213 20 5 FGBDHN COC(=O)[C@H](C)Oc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000561968654 505481648 /nfs/dbraw/zinc/48/16/48/505481648.db2.gz 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CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508292 506574576 /nfs/dbraw/zinc/57/45/76/506574576.db2.gz GDMDECBSERIBMG-JKSUJKDBSA-N 0 3 350.415 3.065 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000593393107 506595804 /nfs/dbraw/zinc/59/58/04/506595804.db2.gz ZBGQVNZLEOTAEP-IBGZPJMESA-N 0 3 371.412 3.230 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599780323 506632673 /nfs/dbraw/zinc/63/26/73/506632673.db2.gz OTRWZWLQJVGTIT-OAHLLOKOSA-N 0 3 362.430 3.132 20 5 FGBDHN C[C@H](NC(C)(C)CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609153892 506796372 /nfs/dbraw/zinc/79/63/72/506796372.db2.gz FEVVCVRQWZJXFY-HNNXBMFYSA-N 0 3 355.438 3.383 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000609194173 506809071 /nfs/dbraw/zinc/80/90/71/506809071.db2.gz ASFKIJDFLKLGHI-QGZVFWFLSA-N 0 3 360.385 3.143 20 5 FGBDHN CO[C@@]1(CO)CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597185971 506822273 /nfs/dbraw/zinc/82/22/73/506822273.db2.gz AJVFVFHIVVJQGN-SFHVURJKSA-N 0 3 362.451 3.297 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@H]4COC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232376 506849751 /nfs/dbraw/zinc/84/97/51/506849751.db2.gz UIPINGAZPDKKHB-UONOGXRCSA-N 0 3 358.394 3.332 20 5 FGBDHN CC(C)(C(=O)NC[C@H]1CCN1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600228717 506859478 /nfs/dbraw/zinc/85/94/78/506859478.db2.gz DWFCSJNRXGUGSN-MRXNPFEDSA-N 0 3 359.470 3.396 20 5 FGBDHN C[C@H](O)[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597249141 506859838 /nfs/dbraw/zinc/85/98/38/506859838.db2.gz LJYOZGFZZINSFZ-LIRRHRJNSA-N 0 3 366.421 3.207 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCN1C1CCCCC1 ZINC000600228325 506860264 /nfs/dbraw/zinc/86/02/64/506860264.db2.gz JVXIXXWKXLARML-MRXNPFEDSA-N 0 3 365.861 3.314 20 5 FGBDHN CN1CCC(N(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000609566750 506923201 /nfs/dbraw/zinc/92/32/01/506923201.db2.gz JRWAXZAPOHULMJ-UHFFFAOYSA-N 0 3 353.422 3.265 20 5 FGBDHN COC[C@](C)(O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000609565401 506923857 /nfs/dbraw/zinc/92/38/57/506923857.db2.gz NTVCWPNDPSYKSD-GOSISDBHSA-N 0 3 364.373 3.013 20 5 FGBDHN CN(C)CCN(Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000583819274 506991846 /nfs/dbraw/zinc/99/18/46/506991846.db2.gz XGPFEPBPXGHNQR-UHFFFAOYSA-N 0 3 369.368 3.353 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000609977960 507059717 /nfs/dbraw/zinc/05/97/17/507059717.db2.gz KLBWJUDDVZDNDF-NVXWUHKLSA-N 0 3 370.453 3.058 20 5 FGBDHN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610037029 507078468 /nfs/dbraw/zinc/07/84/68/507078468.db2.gz OYENNINJPLTDCK-GOSISDBHSA-N 0 3 355.438 3.292 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000591037553 507089626 /nfs/dbraw/zinc/08/96/26/507089626.db2.gz FFBRVBMWCZEPHH-UHFFFAOYSA-N 0 3 363.458 3.328 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)N(C)C ZINC000591085274 507108928 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FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCN(c2ncccc2F)C1 ZINC000595023208 507358496 /nfs/dbraw/zinc/35/84/96/507358496.db2.gz XPJAUAISABCQQE-STQMWFEESA-N 0 3 360.389 3.067 20 5 FGBDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000584464791 507359910 /nfs/dbraw/zinc/35/99/10/507359910.db2.gz IQQLNKUFKRPQLE-SJLPKXTDSA-N 0 3 356.422 3.310 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610720543 507363862 /nfs/dbraw/zinc/36/38/62/507363862.db2.gz FGABGYSRVUWTTP-KRWDZBQOSA-N 0 3 362.474 3.091 20 5 FGBDHN CCOc1ccc([C@H](C)NCc2ccc(CNC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000595059756 507371629 /nfs/dbraw/zinc/37/16/29/507371629.db2.gz IDPXQMNFHACWIH-AWEZNQCLSA-N 0 3 371.437 3.480 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccnc2N2CCCC2)n1 ZINC000595064799 507374099 /nfs/dbraw/zinc/37/40/99/507374099.db2.gz GNRLAZMJCQTKGB-SJORKVTESA-N 0 3 370.457 3.060 20 5 FGBDHN O=C1N(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000595098600 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ZINC000602511383 507731266 /nfs/dbraw/zinc/73/12/66/507731266.db2.gz QZVVYICEMNLFTL-AWEZNQCLSA-N 0 3 352.394 3.352 20 5 FGBDHN COc1ccccc1[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602512077 507732695 /nfs/dbraw/zinc/73/26/95/507732695.db2.gz WHBXXEMZEWBNJH-AWEZNQCLSA-N 0 3 356.426 3.318 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@H]2CCN3CCCC[C@@H]23)cc1Br ZINC000602514713 507733398 /nfs/dbraw/zinc/73/33/98/507733398.db2.gz PPNRZCRPCFXWDS-RYUDHWBXSA-N 0 3 360.277 3.135 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCN(c4ccc(F)cc4)C3)nc2c1 ZINC000602522272 507735994 /nfs/dbraw/zinc/73/59/94/507735994.db2.gz TUSGXZXDNFUGNU-ZDUSSCGKSA-N 0 3 370.384 3.491 20 5 FGBDHN CC[C@H](C[C@@H](C)CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556408 507748317 /nfs/dbraw/zinc/74/83/17/507748317.db2.gz FUBAUQQRGXEYLL-RKDXNWHRSA-N 0 3 351.266 3.306 20 5 FGBDHN CCC[C@H](CCO)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602559053 507749972 /nfs/dbraw/zinc/74/99/72/507749972.db2.gz SODIPFQGZWLOHV-SECBINFHSA-N 0 3 351.266 3.307 20 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3.344 20 5 FGBDHN COc1cccc(N2CC[C@@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)c1 ZINC000576714646 505577548 /nfs/dbraw/zinc/57/75/48/505577548.db2.gz BWRNCFRLQXLGEZ-AUUYWEPGSA-N 0 3 353.422 3.459 20 5 FGBDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C[C@H]1C ZINC000570854950 505596063 /nfs/dbraw/zinc/59/60/63/505596063.db2.gz QQNASNLCYNOGGP-ZIAGYGMSSA-N 0 3 370.457 3.107 20 5 FGBDHN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571043596 505640095 /nfs/dbraw/zinc/64/00/95/505640095.db2.gz JFCBYUSZNSBSBJ-HXUWFJFHSA-N 0 3 371.412 3.430 20 5 FGBDHN CC(C)N1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068777402 493871275 /nfs/dbraw/zinc/87/12/75/493871275.db2.gz UJGLJZUFBHYEAL-UHFFFAOYSA-N 0 3 374.466 3.275 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000032734225 494010636 /nfs/dbraw/zinc/01/06/36/494010636.db2.gz GAWHPNTUDHFRPU-QWHCGFSZSA-N 0 3 351.472 3.309 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN(Cc2ccccc2)CC1 ZINC000009986737 494139048 /nfs/dbraw/zinc/13/90/48/494139048.db2.gz NBPNLCLWXHZQHQ-UHFFFAOYSA-N 0 3 355.438 3.311 20 5 FGBDHN CCc1ccc([C@@H](CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000053550544 494145930 /nfs/dbraw/zinc/14/59/30/494145930.db2.gz DAGMJKCIFFRJKQ-LJQANCHMSA-N 0 3 370.453 3.232 20 5 FGBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000065208733 494178851 /nfs/dbraw/zinc/17/88/51/494178851.db2.gz BOPULSYGFDXIOM-QGZVFWFLSA-N 0 3 358.394 3.136 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000054059892 494190799 /nfs/dbraw/zinc/19/07/99/494190799.db2.gz QZIBIZQJKQSXMM-SFHVURJKSA-N 0 3 359.401 3.329 20 5 FGBDHN Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000043148419 494270127 /nfs/dbraw/zinc/27/01/27/494270127.db2.gz WBFIFYSEWFJJQZ-KRWDZBQOSA-N 0 3 354.410 3.299 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055406529 494339828 /nfs/dbraw/zinc/33/98/28/494339828.db2.gz KPHSHKNKIJVVBV-JKSUJKDBSA-N 0 3 374.485 3.045 20 5 FGBDHN CCCOc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000571388387 505721544 /nfs/dbraw/zinc/72/15/44/505721544.db2.gz QREZCCNLOOLMKF-JKSUJKDBSA-N 0 3 359.430 3.249 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000090113598 494444432 /nfs/dbraw/zinc/44/44/32/494444432.db2.gz AAXTZSYVHNIMFL-QGZVFWFLSA-N 0 3 368.437 3.322 20 5 FGBDHN COc1ccc(C)cc1[C@H](C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024099349 494606094 /nfs/dbraw/zinc/60/60/94/494606094.db2.gz LKPFGRCEJMDABX-HOCLYGCPSA-N 0 3 360.410 3.002 20 5 FGBDHN C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000057201657 494677664 /nfs/dbraw/zinc/67/76/64/494677664.db2.gz JRERKYYFWDPLOH-YJBOKZPZSA-N 0 3 370.453 3.128 20 5 FGBDHN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000108379577 494692789 /nfs/dbraw/zinc/69/27/89/494692789.db2.gz PBQUIAMWOBDSBX-SJORKVTESA-N 0 3 374.485 3.181 20 5 FGBDHN C[C@H](NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000126731198 494828285 /nfs/dbraw/zinc/82/82/85/494828285.db2.gz HXMHZRDYEAOQHV-KRWDZBQOSA-N 0 3 368.481 3.193 20 5 FGBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000132798718 494926522 /nfs/dbraw/zinc/92/65/22/494926522.db2.gz DINWYJZHWPZMDB-UHFFFAOYSA-N 0 3 351.447 3.295 20 5 FGBDHN CCc1nn(C)c(NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000094131594 494952660 /nfs/dbraw/zinc/95/26/60/494952660.db2.gz LDPBNYJDUMTPIT-QGZVFWFLSA-N 0 3 373.457 3.148 20 5 FGBDHN COc1ccc(-c2ccc(CNCC[C@H](C)[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000133675836 495045351 /nfs/dbraw/zinc/04/53/51/495045351.db2.gz WMTPSXHDKCJTGY-UOXLDJKESA-N 0 3 366.439 3.110 20 5 FGBDHN CCO[C@@H]1C[C@@H]1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000577580883 505757997 /nfs/dbraw/zinc/75/79/97/505757997.db2.gz PWIATDMIGJZEIM-PKOBYXMFSA-N 0 3 372.421 3.449 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000133709517 495050204 /nfs/dbraw/zinc/05/02/04/495050204.db2.gz VAHYBIGRVNBCPM-TZMCWYRMSA-N 0 3 366.364 3.272 20 5 FGBDHN Cc1ccc(C(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000133912550 495079052 /nfs/dbraw/zinc/07/90/52/495079052.db2.gz AXTKAJUBHFCUGU-CQSZACIVSA-N 0 3 359.401 3.431 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000128543182 495113895 /nfs/dbraw/zinc/11/38/95/495113895.db2.gz PWQJCJWXOOEZCS-IBGZPJMESA-N 0 3 355.438 3.255 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119251588 495127283 /nfs/dbraw/zinc/12/72/83/495127283.db2.gz HGEHRYLLZUVCNX-JKSUJKDBSA-N 0 3 374.485 3.389 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000102638421 495148369 /nfs/dbraw/zinc/14/83/69/495148369.db2.gz XHSCDLIVPQUXAN-UHFFFAOYSA-N 0 3 370.409 3.182 20 5 FGBDHN Cc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000119771038 495237152 /nfs/dbraw/zinc/23/71/52/495237152.db2.gz FZLUPFCQJXQPEI-MAUKXSAKSA-N 0 3 353.422 3.154 20 5 FGBDHN CN(C)CCn1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000119819586 495248143 /nfs/dbraw/zinc/24/81/43/495248143.db2.gz OKFLVQRBQZZWGD-UHFFFAOYSA-N 0 3 355.398 3.225 20 5 FGBDHN Cc1ccc(C[C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000113264451 495291485 /nfs/dbraw/zinc/29/14/85/495291485.db2.gz RXSJCMCYOMMMSU-GOSISDBHSA-N 0 3 353.422 3.209 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCc4n[nH]cc4C3)cs2)c1 ZINC000124581684 495310974 /nfs/dbraw/zinc/31/09/74/495310974.db2.gz VNGBZRXEXXRUSO-ZDUSSCGKSA-N 0 3 355.423 3.089 20 5 FGBDHN C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120675829 495433219 /nfs/dbraw/zinc/43/32/19/495433219.db2.gz SWSRBVBHFBIDCD-OXQOHEQNSA-N 0 3 355.438 3.319 20 5 FGBDHN Cc1cccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137457848 495441732 /nfs/dbraw/zinc/44/17/32/495441732.db2.gz NFNRJRRCZVGPHM-RDJZCZTQSA-N 0 3 353.422 3.296 20 5 FGBDHN CC(C)c1ccc([C@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000125553446 495462642 /nfs/dbraw/zinc/46/26/42/495462642.db2.gz LERZWLIRTSQYEE-RBUKOAKNSA-N 0 3 358.442 3.113 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121033501 495508728 /nfs/dbraw/zinc/50/87/28/495508728.db2.gz QKTFNACYGSFYCM-JKSUJKDBSA-N 0 3 374.485 3.389 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000185333911 495536269 /nfs/dbraw/zinc/53/62/69/495536269.db2.gz BRRCNCAXGMHCJA-LJQANCHMSA-N 0 3 371.412 3.374 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000154212380 495547072 /nfs/dbraw/zinc/54/70/72/495547072.db2.gz VUVPJRWBPCEMIB-UKRRQHHQSA-N 0 3 374.416 3.457 20 5 FGBDHN CC(C)Oc1cccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182399533 495548070 /nfs/dbraw/zinc/54/80/70/495548070.db2.gz HVRGGBHHBDAFGH-RDJZCZTQSA-N 0 3 374.437 3.473 20 5 FGBDHN C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000158723328 495575905 /nfs/dbraw/zinc/57/59/05/495575905.db2.gz MWONWCWHWLKFKL-UZLBHIALSA-N 0 3 355.438 3.146 20 5 FGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000154562796 495655348 /nfs/dbraw/zinc/65/53/48/495655348.db2.gz AUNJQRBLMLYPSV-FQEVSTJZSA-N 0 3 373.428 3.368 20 5 FGBDHN COC(=O)COc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000185660549 495666963 /nfs/dbraw/zinc/66/69/63/495666963.db2.gz QQBLXFNHIHQQFV-CQSZACIVSA-N 0 3 358.394 3.306 20 5 FGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173777608 495688535 /nfs/dbraw/zinc/68/85/35/495688535.db2.gz XKEFVEOIKYLWST-NWDGAFQWSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)c2c(c1)COCO2 ZINC000173842605 495716504 /nfs/dbraw/zinc/71/65/04/495716504.db2.gz LMKMPOPHKRSAOI-SFHVURJKSA-N 0 3 362.426 3.385 20 5 FGBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183041019 495810305 /nfs/dbraw/zinc/81/03/05/495810305.db2.gz MUVYIPRAHXKGHP-IEBWSBKVSA-N 0 3 374.485 3.043 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000180051059 495837947 /nfs/dbraw/zinc/83/79/47/495837947.db2.gz UJYCBGUZLJRXJC-UHFFFAOYSA-N 0 3 355.398 3.028 20 5 FGBDHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000183277662 495912768 /nfs/dbraw/zinc/91/27/68/495912768.db2.gz PQWCSLPTCCALKS-KRWDZBQOSA-N 0 3 368.437 3.457 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CN1C1CC1 ZINC000177144754 495947517 /nfs/dbraw/zinc/94/75/17/495947517.db2.gz APCVTFPXYGKMOF-WCQYABFASA-N 0 3 372.450 3.073 20 5 FGBDHN CN1CCCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000177188733 495967737 /nfs/dbraw/zinc/96/77/37/495967737.db2.gz NDGIGBAUVDVTQL-UHFFFAOYSA-N 0 3 372.400 3.128 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000151940946 495998233 /nfs/dbraw/zinc/99/82/33/495998233.db2.gz BYNKTGKDFDTYQK-HNNXBMFYSA-N 0 3 362.474 3.480 20 5 FGBDHN COC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000152536455 496179922 /nfs/dbraw/zinc/17/99/22/496179922.db2.gz JXTCCWLMYWPJQA-UHFFFAOYSA-N 0 3 374.393 3.057 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC[C@@H](F)C2)c1 ZINC000574680061 505829827 /nfs/dbraw/zinc/82/98/27/505829827.db2.gz PQOKTIFSKPMRQR-KOLCDFICSA-N 0 3 364.158 3.180 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000180999907 496235686 /nfs/dbraw/zinc/23/56/86/496235686.db2.gz XVKFSNGFTBEWMS-IBGZPJMESA-N 0 3 359.401 3.417 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000181120435 496277908 /nfs/dbraw/zinc/27/79/08/496277908.db2.gz YRTLGZDQJOJKOX-YVEFUNNKSA-N 0 3 374.466 3.051 20 5 FGBDHN CN(C)Cc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000156698552 496313518 /nfs/dbraw/zinc/31/35/18/496313518.db2.gz YMEKJEXAEZPJDH-UHFFFAOYSA-N 0 3 355.438 3.409 20 5 FGBDHN C[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780572 505836575 /nfs/dbraw/zinc/83/65/75/505836575.db2.gz DWDWHKPYIMYXEG-KKSFZXQISA-N 0 3 367.449 3.479 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000574712974 505838185 /nfs/dbraw/zinc/83/81/85/505838185.db2.gz PQKZVBBEXUYBSF-HNNXBMFYSA-N 0 3 363.461 3.286 20 5 FGBDHN CCC1(CC)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1OC ZINC000178457547 496463284 /nfs/dbraw/zinc/46/32/84/496463284.db2.gz DUXQPGZGJXDTLL-CVEARBPZSA-N 0 3 350.415 3.145 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000157594818 496511464 /nfs/dbraw/zinc/51/14/64/496511464.db2.gz VVDKKSQEJURUQF-UHFFFAOYSA-N 0 3 354.332 3.475 20 5 FGBDHN C[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccc1 ZINC000163467950 496519561 /nfs/dbraw/zinc/51/95/61/496519561.db2.gz FGODNBYRJOOWKU-OAQYLSRUSA-N 0 3 367.449 3.308 20 5 FGBDHN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000173087828 496544673 /nfs/dbraw/zinc/54/46/73/496544673.db2.gz NIFGBRKLUXWGAL-QGZVFWFLSA-N 0 3 361.467 3.398 20 5 FGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000181842346 496569150 /nfs/dbraw/zinc/56/91/50/496569150.db2.gz UQAOUEXFNZDRCV-ZBFHGGJFSA-N 0 3 369.421 3.475 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000175864739 496578007 /nfs/dbraw/zinc/57/80/07/496578007.db2.gz OSMZOAGEQYJQPV-LSDHHAIUSA-N 0 3 364.471 3.221 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175864609 496578295 /nfs/dbraw/zinc/57/82/95/496578295.db2.gz RECUPCAQZXMANR-ZBFHGGJFSA-N 0 3 364.471 3.221 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000181883155 496584272 /nfs/dbraw/zinc/58/42/72/496584272.db2.gz ORQWSESRQWYSRR-SFHVURJKSA-N 0 3 374.412 3.181 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000181897296 496590734 /nfs/dbraw/zinc/59/07/34/496590734.db2.gz KBMGTXYLVKIGHP-SJLPKXTDSA-N 0 3 374.412 3.038 20 5 FGBDHN COc1ccccc1[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158024928 496611216 /nfs/dbraw/zinc/61/12/16/496611216.db2.gz VNUWLDWZRKKJOQ-OAHLLOKOSA-N 0 3 369.421 3.422 20 5 FGBDHN COc1ccc(OCCN[C@H](C)c2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC000182004492 496632248 /nfs/dbraw/zinc/63/22/48/496632248.db2.gz FICLTPKDENRSJG-GFCCVEGCSA-N 0 3 364.373 3.481 20 5 FGBDHN C[C@H](N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173408962 496679654 /nfs/dbraw/zinc/67/96/54/496679654.db2.gz ZGEQJAUCRYSQLO-PXNSSMCTSA-N 0 3 369.465 3.189 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000154111047 496686218 /nfs/dbraw/zinc/68/62/18/496686218.db2.gz KTSBOHWUZQCSJC-AWEZNQCLSA-N 0 3 365.499 3.415 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182164196 496693151 /nfs/dbraw/zinc/69/31/51/496693151.db2.gz PQGIYVYTNFETOU-LBPRGKRZSA-N 0 3 371.890 3.331 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000182175089 496697587 /nfs/dbraw/zinc/69/75/87/496697587.db2.gz OCAUBQKJORMFMO-CHWSQXEVSA-N 0 3 350.802 3.339 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000182214828 496709391 /nfs/dbraw/zinc/70/93/91/496709391.db2.gz ANKGKGCZVBHCTL-QZTJIDSGSA-N 0 3 374.412 3.181 20 5 FGBDHN Cc1ccccc1[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182217262 496710837 /nfs/dbraw/zinc/71/08/37/496710837.db2.gz AALXFVOBLYKVSK-FUHWJXTLSA-N 0 3 356.422 3.480 20 5 FGBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580927855 505870268 /nfs/dbraw/zinc/87/02/68/505870268.db2.gz RYGUKQYAXPBZMK-GFCCVEGCSA-N 0 3 373.375 3.303 20 5 FGBDHN COc1cc(NCc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000269368119 496930431 /nfs/dbraw/zinc/93/04/31/496930431.db2.gz RGRJTSNZDLKNGX-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192062308 496981597 /nfs/dbraw/zinc/98/15/97/496981597.db2.gz COUJJCSCQLZDQB-FGTMMUONSA-N 0 3 362.813 3.401 20 5 FGBDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000248540712 497034331 /nfs/dbraw/zinc/03/43/31/497034331.db2.gz BLGKKKROGLDNPQ-PWIZWCRZSA-N 0 3 372.421 3.318 20 5 FGBDHN Cc1c(Br)c(N[C@@H]2CCN3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000228015210 497092502 /nfs/dbraw/zinc/09/25/02/497092502.db2.gz GEAWAHPAHUUANF-MNOVXSKESA-N 0 3 355.236 3.099 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000574937941 505886297 /nfs/dbraw/zinc/88/62/97/505886297.db2.gz CUMSJVNMUAAGHD-UHFFFAOYSA-N 0 3 365.865 3.341 20 5 FGBDHN O=C(CN[C@@H](c1ccccc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000192506629 497134671 /nfs/dbraw/zinc/13/46/71/497134671.db2.gz ZDMQQPNZSAQWTJ-IBGZPJMESA-N 0 3 369.377 3.003 20 5 FGBDHN COc1ccc(CNC[C@@H](O)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242501 497209047 /nfs/dbraw/zinc/20/90/47/497209047.db2.gz SCKLELYZZXSELW-GOSISDBHSA-N 0 3 374.437 3.289 20 5 FGBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000192781369 497212553 /nfs/dbraw/zinc/21/25/53/497212553.db2.gz AFEUIYTZICNUJG-UHFFFAOYSA-N 0 3 368.231 3.170 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000569286322 505897032 /nfs/dbraw/zinc/89/70/32/505897032.db2.gz TZLCFMANNXVXKR-MRXNPFEDSA-N 0 3 370.453 3.034 20 5 FGBDHN C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000271641045 497407482 /nfs/dbraw/zinc/40/74/82/497407482.db2.gz RGEQGKJPKGYZQC-CQSZACIVSA-N 0 3 356.426 3.217 20 5 FGBDHN CCOCCOCCN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000190261607 497418089 /nfs/dbraw/zinc/41/80/89/497418089.db2.gz JBVCLQXEBCPZJA-UHFFFAOYSA-N 0 3 355.434 3.431 20 5 FGBDHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000271767967 497443045 /nfs/dbraw/zinc/44/30/45/497443045.db2.gz HYBQGBCHWIELSI-KBXCAEBGSA-N 0 3 372.421 3.196 20 5 FGBDHN COC(=O)c1cnc(SCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193746182 497466723 /nfs/dbraw/zinc/46/67/23/497466723.db2.gz ZRTCZACMWJYAOZ-UHFFFAOYSA-N 0 3 361.423 3.001 20 5 FGBDHN CC(=O)NC1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279539252 497467161 /nfs/dbraw/zinc/46/71/61/497467161.db2.gz PXJOWMMPDOLRSL-UHFFFAOYSA-N 0 3 359.348 3.151 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000276352786 497552011 /nfs/dbraw/zinc/55/20/11/497552011.db2.gz WWDSEYRPJCPRJX-UHFFFAOYSA-N 0 3 372.444 3.268 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272217438 497567076 /nfs/dbraw/zinc/56/70/76/497567076.db2.gz SPLLJNTXYMCDJZ-IYNGYCSASA-N 0 3 365.861 3.450 20 5 FGBDHN CC[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246039214 497602857 /nfs/dbraw/zinc/60/28/57/497602857.db2.gz WYIBXDHQKNWMBK-BPQIPLTHSA-N 0 3 360.458 3.172 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1cccs1 ZINC000246464772 497743687 /nfs/dbraw/zinc/74/36/87/497743687.db2.gz NMODPNHMKVWRST-SJCJKPOMSA-N 0 3 374.466 3.051 20 5 FGBDHN COC(=O)[C@@H](C)Oc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000295992094 497882035 /nfs/dbraw/zinc/88/20/35/497882035.db2.gz KHBQPFMRFZJYOW-UONOGXRCSA-N 0 3 358.394 3.386 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000299670653 497888867 /nfs/dbraw/zinc/88/88/67/497888867.db2.gz MEHBRHQOIXYUOX-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000364618931 498053361 /nfs/dbraw/zinc/05/33/61/498053361.db2.gz BECNNDIKUBMLKB-KSSFIOAISA-N 0 3 359.451 3.008 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285542482 498123265 /nfs/dbraw/zinc/12/32/65/498123265.db2.gz LQQJCRAZATXWQB-KEYYUXOJSA-N 0 3 371.441 3.264 20 5 FGBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301503073 498138913 /nfs/dbraw/zinc/13/89/13/498138913.db2.gz FSIIBSIRXHGVAS-OAHLLOKOSA-N 0 3 360.458 3.117 20 5 FGBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000289437837 498147374 /nfs/dbraw/zinc/14/73/74/498147374.db2.gz STGPIGQLIMFTLU-KXBFYZLASA-N 0 3 352.394 3.271 20 5 FGBDHN Cc1cc(F)c(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296708989 498164501 /nfs/dbraw/zinc/16/45/01/498164501.db2.gz KZZXGJGOEWIQCO-LBPRGKRZSA-N 0 3 352.410 3.236 20 5 FGBDHN CN(C)C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1 ZINC000581449194 505990823 /nfs/dbraw/zinc/99/08/23/505990823.db2.gz IMCQGBWKJLFALX-GOSISDBHSA-N 0 3 370.384 3.248 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289512916 498175117 /nfs/dbraw/zinc/17/51/17/498175117.db2.gz KXDWWWLHDNETHC-IEBWSBKVSA-N 0 3 373.453 3.265 20 5 FGBDHN C[C@@H]1CN(CCC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301594127 498179036 /nfs/dbraw/zinc/17/90/36/498179036.db2.gz YLGTUCXUCDMKGZ-HUUCEWRRSA-N 0 3 365.449 3.450 20 5 FGBDHN CNC(=O)c1ccc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620311 498191032 /nfs/dbraw/zinc/19/10/32/498191032.db2.gz MJJHPOKRLRASIJ-YOEHRIQHSA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1ccc(NCc2ccc(CN3CCN(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301805082 498272412 /nfs/dbraw/zinc/27/24/12/498272412.db2.gz DVPDPRDMKWPKJW-UHFFFAOYSA-N 0 3 354.454 3.263 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000281884159 498305129 /nfs/dbraw/zinc/30/51/29/498305129.db2.gz GNPKBUGPOJJGTD-CYBMUJFWSA-N 0 3 364.446 3.188 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302015941 498369122 /nfs/dbraw/zinc/36/91/22/498369122.db2.gz YMTGITIOFQCDGB-AWEZNQCLSA-N 0 3 366.425 3.275 20 5 FGBDHN O=[N+]([O-])c1cnc(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)nc1 ZINC000302165852 498424973 /nfs/dbraw/zinc/42/49/73/498424973.db2.gz RGAGTBNCQNWZTM-UHFFFAOYSA-N 0 3 367.453 3.410 20 5 FGBDHN C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293739690 498473116 /nfs/dbraw/zinc/47/31/16/498473116.db2.gz REBDFBIVBYMUCF-LBPRGKRZSA-N 0 3 351.834 3.195 20 5 FGBDHN COc1cccc([C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)N(C)C)c1 ZINC000302383168 498474845 /nfs/dbraw/zinc/47/48/45/498474845.db2.gz AENVHHYOVAZADB-SFHVURJKSA-N 0 3 356.426 3.286 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cnn(CCOC)c1 ZINC000282446222 498515711 /nfs/dbraw/zinc/51/57/11/498515711.db2.gz FBYOXNLDTFGFQA-HNNXBMFYSA-N 0 3 364.471 3.098 20 5 FGBDHN Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000302686933 498532990 /nfs/dbraw/zinc/53/29/90/498532990.db2.gz APCMCLATJMNNMB-QGZVFWFLSA-N 0 3 356.426 3.001 20 5 FGBDHN C[C@H](NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297685149 498535576 /nfs/dbraw/zinc/53/55/76/498535576.db2.gz PYRMJYWDEDYFOG-CABCVRRESA-N 0 3 360.458 3.172 20 5 FGBDHN O=C(CCN1CCC=C(c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578904679 506049477 /nfs/dbraw/zinc/04/94/77/506049477.db2.gz QOZOUSIYQWJQRF-UHFFFAOYSA-N 0 3 352.394 3.108 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000298001080 498634536 /nfs/dbraw/zinc/63/45/36/498634536.db2.gz ZEOBKHBSQBUGFF-WFASDCNBSA-N 0 3 351.834 3.113 20 5 FGBDHN Cc1ccc([C@@H](C)NCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000314073370 498774445 /nfs/dbraw/zinc/77/44/45/498774445.db2.gz VAMJYGMOQYKWPB-LLVKDONJSA-N 0 3 353.220 3.213 20 5 FGBDHN O=C(CCN1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352259 498859989 /nfs/dbraw/zinc/85/99/89/498859989.db2.gz RBDDTBUOEFLGSI-YOEHRIQHSA-N 0 3 373.409 3.105 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCc2c1cccc2Cl ZINC000579156619 506105785 /nfs/dbraw/zinc/10/57/85/506105785.db2.gz FQMBDSWQCOFTKX-BLLLJJGKSA-N 0 3 362.813 3.265 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135257 498921591 /nfs/dbraw/zinc/92/15/91/498921591.db2.gz LMMQDUVZOMEQBC-HNAYVOBHSA-N 0 3 370.453 3.286 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000291438688 498940748 /nfs/dbraw/zinc/94/07/48/498940748.db2.gz HUGDZMKRFYKDEU-ONGXEEELSA-N 0 3 360.241 3.456 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295328987 498980494 /nfs/dbraw/zinc/98/04/94/498980494.db2.gz TXNHVCMLOAJEIQ-LLVKDONJSA-N 0 3 359.348 3.027 20 5 FGBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000363815537 499008442 /nfs/dbraw/zinc/00/84/42/499008442.db2.gz HTXRUOLRUCQIDS-HZMBPMFUSA-N 0 3 372.347 3.172 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000288465795 499032626 /nfs/dbraw/zinc/03/26/26/499032626.db2.gz QLSWSHVYNLLPKM-UHFFFAOYSA-N 0 3 373.457 3.205 20 5 FGBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(C)CC1 ZINC000291681118 499033560 /nfs/dbraw/zinc/03/35/60/499033560.db2.gz RZOHKLJDSNUBRP-UHFFFAOYSA-N 0 3 353.850 3.441 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000288487909 499038738 /nfs/dbraw/zinc/03/87/38/499038738.db2.gz RJXGXZUAXGHROJ-HIFRSBDPSA-N 0 3 363.433 3.097 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364005194 499082675 /nfs/dbraw/zinc/08/26/75/499082675.db2.gz VBAGVGSDLYOFEV-HXUWFJFHSA-N 0 3 367.405 3.089 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000372543082 499143421 /nfs/dbraw/zinc/14/34/21/499143421.db2.gz PBQSOBOVWOYMKS-ZBFHGGJFSA-N 0 3 357.410 3.485 20 5 FGBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000372573219 499147638 /nfs/dbraw/zinc/14/76/38/499147638.db2.gz SEQLQJVZJHHEON-BBRMVZONSA-N 0 3 361.833 3.167 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1F ZINC000367198952 499160488 /nfs/dbraw/zinc/16/04/88/499160488.db2.gz HMEKCOWTPBCQIE-MRXNPFEDSA-N 0 3 371.412 3.328 20 5 FGBDHN CC(C)c1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000367471271 499203079 /nfs/dbraw/zinc/20/30/79/499203079.db2.gz OHJOCQLBAQRFGG-NLWGTHIKSA-N 0 3 362.470 3.470 20 5 FGBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000370305146 499207741 /nfs/dbraw/zinc/20/77/41/499207741.db2.gz GTSRJMBJFJYOTJ-QGZVFWFLSA-N 0 3 354.410 3.328 20 5 FGBDHN C[C@H](COc1cccc(F)c1)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582117606 506137570 /nfs/dbraw/zinc/13/75/70/506137570.db2.gz XPWLLATWTZAHFD-CYBMUJFWSA-N 0 3 361.373 3.120 20 5 FGBDHN 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FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccnc(C(F)(F)F)c2)n1 ZINC000453280239 501306734 /nfs/dbraw/zinc/30/67/34/501306734.db2.gz GLDXVYPWQYPCPZ-CHWSQXEVSA-N 0 3 369.347 3.479 20 5 FGBDHN CC(C)(C)Oc1cc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596085946 506248448 /nfs/dbraw/zinc/24/84/48/506248448.db2.gz QAVZGSYOVLSHKX-UHFFFAOYSA-N 0 3 351.447 3.031 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3(Cc4ccccc4)CCOCC3)nc2c1 ZINC000451941582 501405183 /nfs/dbraw/zinc/40/51/83/501405183.db2.gz AKEIGAUBMPQENC-UHFFFAOYSA-N 0 3 366.421 3.353 20 5 FGBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452024486 501420148 /nfs/dbraw/zinc/42/01/48/501420148.db2.gz ZEUQRVKSAWWUMZ-COLVAYQJSA-N 0 3 355.822 3.122 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](C)C1 ZINC000452055482 501426216 /nfs/dbraw/zinc/42/62/16/501426216.db2.gz CCRHXPJDJIVLEK-SOUVJXGZSA-N 0 3 354.472 3.173 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458408168 501438313 /nfs/dbraw/zinc/43/83/13/501438313.db2.gz BADOTSDTDIIMOZ-GOSISDBHSA-N 0 3 362.474 3.042 20 5 FGBDHN COC(=O)c1c(Cl)c(N2CCCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596094013 506253494 /nfs/dbraw/zinc/25/34/94/506253494.db2.gz GSYNNTZNXCJDDG-UHFFFAOYSA-N 0 3 369.849 3.345 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452169994 501450351 /nfs/dbraw/zinc/45/03/51/501450351.db2.gz HLMRGMCGBZCMIE-RDJZCZTQSA-N 0 3 359.470 3.106 20 5 FGBDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454621162 501594608 /nfs/dbraw/zinc/59/46/08/501594608.db2.gz PDCYYSJHOXQARI-WMZOPIPTSA-N 0 3 374.485 3.358 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000457060344 501643125 /nfs/dbraw/zinc/64/31/25/501643125.db2.gz RWIIPLIPUAWKRA-UHFFFAOYSA-N 0 3 363.461 3.286 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000457097187 501649747 /nfs/dbraw/zinc/64/97/47/501649747.db2.gz RQVASMRCQZDPJG-ZDUSSCGKSA-N 0 3 359.348 3.168 20 5 FGBDHN COc1ccc(CN2CC[C@@H]2CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000598993927 506266619 /nfs/dbraw/zinc/26/66/19/506266619.db2.gz UKOOYVGGYMHSDJ-GOSISDBHSA-N 0 3 355.438 3.276 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@H]4COC[C@H]43)o2)c1 ZINC000459684237 501698691 /nfs/dbraw/zinc/69/86/91/501698691.db2.gz UMKNBFNYXGKJHA-DLBZAZTESA-N 0 3 369.421 3.293 20 5 FGBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000474380734 501814537 /nfs/dbraw/zinc/81/45/37/501814537.db2.gz UGDKLXCILBMPID-RNODOKPDSA-N 0 3 370.405 3.170 20 5 FGBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000481791634 501885237 /nfs/dbraw/zinc/88/52/37/501885237.db2.gz FWURHZGGIXVLNM-FUHWJXTLSA-N 0 3 373.840 3.005 20 5 FGBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000471360315 501998607 /nfs/dbraw/zinc/99/86/07/501998607.db2.gz MMBOLLUPXPPBHH-UHFFFAOYSA-N 0 3 355.438 3.361 20 5 FGBDHN NC(=O)CC1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000475115505 502065078 /nfs/dbraw/zinc/06/50/78/502065078.db2.gz ZTILBKMZPNRDHD-UHFFFAOYSA-N 0 3 373.384 3.414 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000468474976 502070638 /nfs/dbraw/zinc/07/06/38/502070638.db2.gz LGRWNXAICFOWNK-HNNXBMFYSA-N 0 3 351.472 3.167 20 5 FGBDHN CCNc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471579054 502072048 /nfs/dbraw/zinc/07/20/48/502072048.db2.gz UCVGRXIIWRTGEB-LIRRHRJNSA-N 0 3 370.453 3.448 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1ccc(C)c(F)c1 ZINC000468619483 502127628 /nfs/dbraw/zinc/12/76/28/502127628.db2.gz GLYIADFWHAFVAT-GXDHUFHOSA-N 0 3 371.412 3.465 20 5 FGBDHN COc1cc(CNCC2(OC)CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000475431742 502169964 /nfs/dbraw/zinc/16/99/64/502169964.db2.gz ARQXLQBJJURZPS-UHFFFAOYSA-N 0 3 352.431 3.297 20 5 FGBDHN O=C(NC[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000482906787 502213100 /nfs/dbraw/zinc/21/31/00/502213100.db2.gz SEWTXTGLXNBEGJ-SFHVURJKSA-N 0 3 367.449 3.279 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000472272184 502293592 /nfs/dbraw/zinc/29/35/92/502293592.db2.gz DZFRBXKQSSHVBW-FQEVSTJZSA-N 0 3 367.449 3.422 20 5 FGBDHN CCCOc1ccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602801175 506306218 /nfs/dbraw/zinc/30/62/18/506306218.db2.gz LPDQIOSZNZZRBL-ZDUSSCGKSA-N 0 3 362.430 3.248 20 5 FGBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338991 502321390 /nfs/dbraw/zinc/32/13/90/502321390.db2.gz AWJQAWNPUTVBHE-GDBMZVCRSA-N 0 3 353.422 3.147 20 5 FGBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000472431794 502350586 /nfs/dbraw/zinc/35/05/86/502350586.db2.gz KVTSQGMBBOIOKW-UHFFFAOYSA-N 0 3 353.220 3.079 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075046 506311505 /nfs/dbraw/zinc/31/15/05/506311505.db2.gz RHTPJJHNMUKZOE-ACJLOTCBSA-N 0 3 369.421 3.471 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000487528145 502469211 /nfs/dbraw/zinc/46/92/11/502469211.db2.gz IMPZLBRROZRJEJ-UHFFFAOYSA-N 0 3 355.438 3.416 20 5 FGBDHN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000487813832 502535680 /nfs/dbraw/zinc/53/56/80/502535680.db2.gz BMUUZZRNPMTLBZ-HUUCEWRRSA-N 0 3 362.474 3.250 20 5 FGBDHN COc1cc(CNC[C@H]2CCC3(CCCCC3)O2)c([N+](=O)[O-])cc1O ZINC000480442797 502571249 /nfs/dbraw/zinc/57/12/49/502571249.db2.gz IPWXHQDQGLMHJG-CQSZACIVSA-N 0 3 350.415 3.281 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(NCC2(N3CCSCC3)CCCC2)c1 ZINC000462918607 502626679 /nfs/dbraw/zinc/62/66/79/502626679.db2.gz DWCPXILWSRUIML-UHFFFAOYSA-N 0 3 351.472 3.377 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000470174530 502695131 /nfs/dbraw/zinc/69/51/31/502695131.db2.gz LVFROBFXRVDRHA-NWNNTGRJSA-N 0 3 359.470 3.183 20 5 FGBDHN CCC[C@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000470180478 502697426 /nfs/dbraw/zinc/69/74/26/502697426.db2.gz NXGVJWLFONSEJU-QUHSPFQSSA-N 0 3 361.486 3.431 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC(C)(C)C1 ZINC000470278333 502723863 /nfs/dbraw/zinc/72/38/63/502723863.db2.gz DZFDHYNNXPBPGJ-KRWDZBQOSA-N 0 3 361.486 3.402 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467043517 502768651 /nfs/dbraw/zinc/76/86/51/502768651.db2.gz DRSAMBVOJPNJBU-CXAGYDPISA-N 0 3 357.385 3.127 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488924354 502839513 /nfs/dbraw/zinc/83/95/13/502839513.db2.gz YLJGSTRVVWQRJC-GJZGRUSLSA-N 0 3 362.474 3.392 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500868787 502882629 /nfs/dbraw/zinc/88/26/29/502882629.db2.gz ZIGJWMJUXBNHPO-NVXWUHKLSA-N 0 3 353.422 3.469 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000505539499 502930588 /nfs/dbraw/zinc/93/05/88/502930588.db2.gz WRIQIHQOZRJTGY-FQEVSTJZSA-N 0 3 359.470 3.450 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000489410041 502950652 /nfs/dbraw/zinc/95/06/52/502950652.db2.gz YFUDGKZAPGGTRU-JKSUJKDBSA-N 0 3 362.474 3.384 20 5 FGBDHN COC(=O)c1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000513825132 503031603 /nfs/dbraw/zinc/03/16/03/503031603.db2.gz WLEPXLJBJFWIPB-XJKSGUPXSA-N 0 3 358.394 3.475 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000506206169 503069277 /nfs/dbraw/zinc/06/92/77/503069277.db2.gz LPIAGLUUFFEDHC-CQSZACIVSA-N 0 3 351.472 3.263 20 5 FGBDHN COc1c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)cccc1[N+](=O)[O-] ZINC000510522623 503132389 /nfs/dbraw/zinc/13/23/89/503132389.db2.gz IERGKUGCSXSKFA-RDTXWAMCSA-N 0 3 371.437 3.333 20 5 FGBDHN CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510548018 503141513 /nfs/dbraw/zinc/14/15/13/503141513.db2.gz PRKPSUGVALDDQQ-DYVFJYSZSA-N 0 3 373.457 3.000 20 5 FGBDHN COc1ccccc1[C@H]1CNCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000514603714 503147078 /nfs/dbraw/zinc/14/70/78/503147078.db2.gz PIANFYBPYSTCJN-MONCILHSSA-N 0 3 353.422 3.263 20 5 FGBDHN CCOC(=O)C(C)(C)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510873735 503207567 /nfs/dbraw/zinc/20/75/67/503207567.db2.gz VGHDZXDMTJMHOR-UHFFFAOYSA-N 0 3 364.442 3.275 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511060134 503243928 /nfs/dbraw/zinc/24/39/28/503243928.db2.gz QEGKAQZYCNCYQG-QGZVFWFLSA-N 0 3 350.369 3.353 20 5 FGBDHN Cc1cc(C)cc(OC[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511135763 503265436 /nfs/dbraw/zinc/26/54/36/503265436.db2.gz HTBIQERPGGIUGN-SFHVURJKSA-N 0 3 358.438 3.126 20 5 FGBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507567629 503324514 /nfs/dbraw/zinc/32/45/14/503324514.db2.gz QSAWLPNLIFSAIC-CQSZACIVSA-N 0 3 374.485 3.409 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599187263 506365272 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FGBDHN C[C@H](NCCCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000509005640 503617630 /nfs/dbraw/zinc/61/76/30/503617630.db2.gz DTLDJXJLLVAWQA-SFHVURJKSA-N 0 3 368.481 3.458 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000500553246 503645856 /nfs/dbraw/zinc/64/58/56/503645856.db2.gz VYFBPPYJRCHQJJ-UHFFFAOYSA-N 0 3 362.474 3.045 20 5 FGBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)cc21 ZINC000546419244 503741805 /nfs/dbraw/zinc/74/18/05/503741805.db2.gz HETMJKDBCIRBTJ-CYBMUJFWSA-N 0 3 369.362 3.063 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCNC1(c2ccc(F)cc2)CC1 ZINC000533527334 503876047 /nfs/dbraw/zinc/87/60/47/503876047.db2.gz PXCBBPMSWUNOBT-UHFFFAOYSA-N 0 3 371.368 3.311 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000543745040 503876295 /nfs/dbraw/zinc/87/62/95/503876295.db2.gz LCUBOAVYABPZAV-ZDUSSCGKSA-N 0 3 351.472 3.169 20 5 FGBDHN Cc1ccccc1[C@@H](CO)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000543837252 503909327 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FGBDHN COc1ccc(Oc2ccc(CNCCn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000544174620 504034902 /nfs/dbraw/zinc/03/49/02/504034902.db2.gz BMHLLKHCQGWLII-UHFFFAOYSA-N 0 3 368.393 3.382 20 5 FGBDHN CN(C)CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCCC1 ZINC000534248882 504084131 /nfs/dbraw/zinc/08/41/31/504084131.db2.gz CGQSFSQYRFWDDT-UHFFFAOYSA-N 0 3 358.442 3.413 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000534279866 504094211 /nfs/dbraw/zinc/09/42/11/504094211.db2.gz DDDOMXVCKKDFGI-AWEZNQCLSA-N 0 3 365.499 3.415 20 5 FGBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000530870521 504114727 /nfs/dbraw/zinc/11/47/27/504114727.db2.gz PMFIZYKVOIOMID-UHFFFAOYSA-N 0 3 361.364 3.161 20 5 FGBDHN Cc1cc(C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000538094708 504132054 /nfs/dbraw/zinc/13/20/54/504132054.db2.gz GJVQGNJVNDWSRR-UHFFFAOYSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc(C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH]n1 ZINC000538094708 504132057 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507428515 /nfs/dbraw/zinc/42/85/15/507428515.db2.gz OMVQEGIOJXKBNB-UHFFFAOYSA-N 0 3 370.453 3.388 20 5 FGBDHN N[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1F ZINC000595229198 507431813 /nfs/dbraw/zinc/43/18/13/507431813.db2.gz FFGWLXIZODMLPF-IAGOWNOFSA-N 0 3 374.372 3.290 20 5 FGBDHN Cc1ccc(NCCCNC(=O)C[C@H]2NCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595249940 507440140 /nfs/dbraw/zinc/44/01/40/507440140.db2.gz NBQYLCHLWJESSD-GOSISDBHSA-N 0 3 368.437 3.056 20 5 FGBDHN O=C(C[C@H]1NCc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595254639 507441370 /nfs/dbraw/zinc/44/13/70/507441370.db2.gz RWUNZBPFUDGZQB-LJQANCHMSA-N 0 3 351.406 3.320 20 5 FGBDHN CSc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595259255 507443113 /nfs/dbraw/zinc/44/31/13/507443113.db2.gz ZZQWFDQJIVWGBN-MRXNPFEDSA-N 0 3 373.434 3.230 20 5 FGBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(C)C1 ZINC000592220538 507539419 /nfs/dbraw/zinc/53/94/19/507539419.db2.gz CMOBOKBGUSYRBH-GFCCVEGCSA-N 0 3 372.372 3.144 20 5 FGBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000611252146 507581578 /nfs/dbraw/zinc/58/15/78/507581578.db2.gz XCBLQVUFLUONMT-INIZCTEOSA-N 0 3 353.422 3.283 20 5 FGBDHN COc1ccc(CNc2ccc(CN3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000611287937 507606512 /nfs/dbraw/zinc/60/65/12/507606512.db2.gz LZHNKATYEXTEPM-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccc(C)cc2C1 ZINC000595657044 507617810 /nfs/dbraw/zinc/61/78/10/507617810.db2.gz HQLCPCWBNQQCNP-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN COc1ccccc1[C@@H](C)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000611375095 507648064 /nfs/dbraw/zinc/64/80/64/507648064.db2.gz YNSOIQJRJZIYQF-CYBMUJFWSA-N 0 3 371.393 3.252 20 5 FGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595748598 507662878 /nfs/dbraw/zinc/66/28/78/507662878.db2.gz XPYVWZWWILSXTI-FXAWDEMLSA-N 0 3 356.422 3.072 20 5 FGBDHN COc1cccc([C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C)c1 ZINC000602505861 507730439 /nfs/dbraw/zinc/73/04/39/507730439.db2.gz WGAOPFXKDMLISS-QGZVFWFLSA-N 0 3 370.409 3.137 20 5 FGBDHN O=C(c1cccc2c1CCNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595950429 507750692 /nfs/dbraw/zinc/75/06/92/507750692.db2.gz DENSYMZPBLNVAL-UHFFFAOYSA-N 0 3 351.406 3.045 20 5 FGBDHN C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820418391 599394226 /nfs/dbraw/zinc/39/42/26/599394226.db2.gz AGLFUCMLPLEKGB-NEXMIYJRSA-N 0 3 350.382 3.139 20 5 FGBDHN C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820418391 599394228 /nfs/dbraw/zinc/39/42/28/599394228.db2.gz AGLFUCMLPLEKGB-NEXMIYJRSA-N 0 3 350.382 3.139 20 5 FGBDHN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820122070 606965256 /nfs/dbraw/zinc/96/52/56/606965256.db2.gz YVPVSAZBYKOUQV-UHFFFAOYSA-N 0 3 370.388 3.325 20 5 FGBDHN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820122070 606965258 /nfs/dbraw/zinc/96/52/58/606965258.db2.gz YVPVSAZBYKOUQV-UHFFFAOYSA-N 0 3 370.388 3.325 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254709 607089364 /nfs/dbraw/zinc/08/93/64/607089364.db2.gz VJGSTQWSSOOMAJ-KGLIPLIRSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254709 607089365 /nfs/dbraw/zinc/08/93/65/607089365.db2.gz VJGSTQWSSOOMAJ-KGLIPLIRSA-N 0 3 366.425 3.447 20 5 FGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000120655542 700658282 /nfs/dbraw/zinc/65/82/82/700658282.db2.gz NDJIFNVWJNHANV-MRXNPFEDSA-N 0 3 359.813 3.381 20 5 FGBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521847516 714151550 /nfs/dbraw/zinc/15/15/50/714151550.db2.gz JEHGFTAYPHXSAO-UHFFFAOYSA-N 0 3 351.422 3.318 20 5 FGBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000579688953 714495494 /nfs/dbraw/zinc/49/54/94/714495494.db2.gz XCVXPBPHAQUQEE-UHFFFAOYSA-N 0 3 372.263 3.080 20 5 FGBDHN COC(=O)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000619654498 714859582 /nfs/dbraw/zinc/85/95/82/714859582.db2.gz TWLOIEQDKXMRJO-UHFFFAOYSA-N 0 3 358.341 3.019 20 5 FGBDHN CN(C1CCCC1)C(C)(C)C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000754867921 722947261 /nfs/dbraw/zinc/94/72/61/722947261.db2.gz FSEWKVIJVGQJEI-UHFFFAOYSA-N 0 3 350.415 3.170 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000776270252 724126402 /nfs/dbraw/zinc/12/64/02/724126402.db2.gz BEVBYOWNAICSBB-SJLPKXTDSA-N 0 3 362.451 3.371 20 5 FGBDHN CN(CCOc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272159 724126965 /nfs/dbraw/zinc/12/69/65/724126965.db2.gz QTQJCZBOZKFWRR-KRWDZBQOSA-N 0 3 350.802 3.292 20 5 FGBDHN NC(=O)c1cccc(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811471534 725367964 /nfs/dbraw/zinc/36/79/64/725367964.db2.gz RQSAZCVNRUYTPV-UHFFFAOYSA-N 0 3 368.220 3.333 20 5 FGBDHN Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814833266 727004977 /nfs/dbraw/zinc/00/49/77/727004977.db2.gz BPIKZVXYCIIQTG-NEPJUHHUSA-N 0 3 359.348 3.197 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1F ZINC000822059971 729143512 /nfs/dbraw/zinc/14/35/12/729143512.db2.gz XQHBJICCIPZDND-ZYHUDNBSSA-N 0 3 355.385 3.032 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1F ZINC000823332477 729268726 /nfs/dbraw/zinc/26/87/26/729268726.db2.gz KSBUESKPZJEWKR-CMPLNLGQSA-N 0 3 355.385 3.032 20 5 FGBDHN Cc1cc([C@H](N)CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000827351248 729429198 /nfs/dbraw/zinc/42/91/98/729429198.db2.gz CJLFLNXSBUGWBQ-IAQYHMDHSA-N 0 3 362.817 3.219 20 5 FGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000834379356 729798426 /nfs/dbraw/zinc/79/84/26/729798426.db2.gz ZPZABQDRXPBCCK-CQSZACIVSA-N 0 3 350.802 3.120 20 5 FGBDHN COc1cc(C(=O)OC[C@@H]2CCCCN2C(C)C)c([N+](=O)[O-])cc1F ZINC000838055708 730086524 /nfs/dbraw/zinc/08/65/24/730086524.db2.gz XXANAKZQOBOFNM-LBPRGKRZSA-N 0 3 354.378 3.162 20 5 FGBDHN CC([C@@H](OC(=O)CSC[C@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845873451 730904962 /nfs/dbraw/zinc/90/49/62/730904962.db2.gz DHHFLFJFKQLFOB-PBFPGSCMSA-N 0 3 371.430 3.378 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850579931 731375957 /nfs/dbraw/zinc/37/59/57/731375957.db2.gz CXTROGGBZVKBLB-HOCLYGCPSA-N 0 3 352.312 3.323 20 5 FGBDHN CC(COC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[N+](=O)[O-] ZINC000851037180 731416076 /nfs/dbraw/zinc/41/60/76/731416076.db2.gz RPTMPVIODZQFNK-JTQLQIEISA-N 0 3 372.805 3.438 20 5 FGBDHN O=[N+]([O-])c1ccc(CNCC[C@@H]2CCC3(CCOCC3)CO2)c(F)c1 ZINC000886300460 739242010 /nfs/dbraw/zinc/24/20/10/739242010.db2.gz IPUDUQPMFGWBDH-INIZCTEOSA-N 0 3 352.406 3.189 20 5 FGBDHN CCOC(=O)C1([C@@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000933881833 761489627 /nfs/dbraw/zinc/48/96/27/761489627.db2.gz PJXGWDXIZFGCIR-GFCCVEGCSA-N 0 3 370.833 3.086 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000580114198 505679968 /nfs/dbraw/zinc/67/99/68/505679968.db2.gz MHAJPUHSHAPRDX-HNAYVOBHSA-N 0 3 353.422 3.296 20 5 FGBDHN CC(C)[C@@H](c1ccccc1Cl)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742906 493774207 /nfs/dbraw/zinc/77/42/07/493774207.db2.gz DIKVAYHIEHFEHE-YOEHRIQHSA-N 0 3 366.849 3.135 20 5 FGBDHN Cc1cc(N2CCC(N(C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)n1 ZINC000080968055 493803694 /nfs/dbraw/zinc/80/36/94/493803694.db2.gz HQVRCQNATFTERJ-UHFFFAOYSA-N 0 3 355.442 3.102 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1 ZINC000068385631 493808134 /nfs/dbraw/zinc/80/81/34/493808134.db2.gz XYENDAZLOMXJIJ-CQSZACIVSA-N 0 3 371.437 3.463 20 5 FGBDHN CNc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029178067 493823757 /nfs/dbraw/zinc/82/37/57/493823757.db2.gz QNHQLXNARGFVRJ-GOSISDBHSA-N 0 3 368.437 3.203 20 5 FGBDHN COc1ccccc1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069085456 493918372 /nfs/dbraw/zinc/91/83/72/493918372.db2.gz XEVGNHJCPAECEP-QFBILLFUSA-N 0 3 372.421 3.180 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060380204 493928750 /nfs/dbraw/zinc/92/87/50/493928750.db2.gz SAFZHYCKKACRED-CYBMUJFWSA-N 0 3 374.407 3.299 20 5 FGBDHN CN(C)CCn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000061635163 493987485 /nfs/dbraw/zinc/98/74/85/493987485.db2.gz JIVSRTIVXXUCQE-UHFFFAOYSA-N 0 3 359.433 3.398 20 5 FGBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051855268 493991136 /nfs/dbraw/zinc/99/11/36/493991136.db2.gz UNUSMHWZDBFSJK-HNNXBMFYSA-N 0 3 367.409 3.247 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000063497716 494060531 /nfs/dbraw/zinc/06/05/31/494060531.db2.gz SSVOTDQQBAXTGG-UHFFFAOYSA-N 0 3 351.428 3.070 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000071954632 494110879 /nfs/dbraw/zinc/11/08/79/494110879.db2.gz WEJBAAIUJQZYNV-UHFFFAOYSA-N 0 3 372.444 3.484 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1csc([N+](=O)[O-])c1 ZINC000064521349 494130825 /nfs/dbraw/zinc/13/08/25/494130825.db2.gz ZJABZCQZZOGQEE-GFCCVEGCSA-N 0 3 365.480 3.360 20 5 FGBDHN O=C(Nc1ccccc1)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208973 494178761 /nfs/dbraw/zinc/17/87/61/494178761.db2.gz BFSJLCUZOKFYAV-UHFFFAOYSA-N 0 3 369.421 3.324 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000054281566 494215301 /nfs/dbraw/zinc/21/53/01/494215301.db2.gz FYGKKOCEDWYMDY-OAHLLOKOSA-N 0 3 373.478 3.324 20 5 FGBDHN O=C(NCCN1CCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000072634363 494221812 /nfs/dbraw/zinc/22/18/12/494221812.db2.gz PYCVABODORQTHO-UHFFFAOYSA-N 0 3 368.437 3.033 20 5 FGBDHN CN(C)[C@H]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000078617617 494332095 /nfs/dbraw/zinc/33/20/95/494332095.db2.gz MBBFUWKYMYSMRU-JTQLQIEISA-N 0 3 362.308 3.052 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000066726917 494396431 /nfs/dbraw/zinc/39/64/31/494396431.db2.gz NIVAEJFBWRJOBI-UHFFFAOYSA-N 0 3 371.437 3.084 20 5 FGBDHN C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056381828 494496080 /nfs/dbraw/zinc/49/60/80/494496080.db2.gz MIXWCOISGLCRDT-AWEZNQCLSA-N 0 3 356.426 3.217 20 5 FGBDHN C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000056396129 494499053 /nfs/dbraw/zinc/49/90/53/494499053.db2.gz IJVQMINOEPLXIA-AWEZNQCLSA-N 0 3 356.426 3.217 20 5 FGBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090910102 494503296 /nfs/dbraw/zinc/50/32/96/494503296.db2.gz ZRLVVPLFMOODDS-LBPRGKRZSA-N 0 3 366.414 3.031 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)N(C)C)cc1 ZINC000022870728 494540127 /nfs/dbraw/zinc/54/01/27/494540127.db2.gz FTOGGCYZHDAAOT-SFHVURJKSA-N 0 3 371.437 3.199 20 5 FGBDHN CN(Cc1ccc(Cl)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701776 494555153 /nfs/dbraw/zinc/55/51/53/494555153.db2.gz JRABHUWMIOQNCL-MRXNPFEDSA-N 0 3 350.802 3.120 20 5 FGBDHN O=C(CCN[C@H]1CCCOc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000580304574 505728433 /nfs/dbraw/zinc/72/84/33/505728433.db2.gz LPNXIAFHDLBNGA-HNNXBMFYSA-N 0 3 355.394 3.427 20 5 FGBDHN COc1ccc([C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000023677808 494574702 /nfs/dbraw/zinc/57/47/02/494574702.db2.gz HMOKXAZQTWHDNC-YLJYHZDGSA-N 0 3 374.437 3.330 20 5 FGBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000080045466 494575824 /nfs/dbraw/zinc/57/58/24/494575824.db2.gz VANDBUACFQBWHD-INIZCTEOSA-N 0 3 370.453 3.429 20 5 FGBDHN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000023737628 494578466 /nfs/dbraw/zinc/57/84/66/494578466.db2.gz KSYYROLPCRXOKQ-IBGZPJMESA-N 0 3 353.422 3.470 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000067753661 494633906 /nfs/dbraw/zinc/63/39/06/494633906.db2.gz RGOXAZSNTBOCJT-HOCLYGCPSA-N 0 3 369.421 3.169 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080203156 494637852 /nfs/dbraw/zinc/63/78/52/494637852.db2.gz GJQIEQLSTYDQLH-GFCCVEGCSA-N 0 3 359.348 3.218 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000580366716 505741858 /nfs/dbraw/zinc/74/18/58/505741858.db2.gz LZRSWAPYRBLXMV-JQWIXIFHSA-N 0 3 351.428 3.417 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000075630977 494805064 /nfs/dbraw/zinc/80/50/64/494805064.db2.gz BXYITSBAVIIRDR-IBGZPJMESA-N 0 3 367.449 3.481 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000075630968 494805097 /nfs/dbraw/zinc/80/50/97/494805097.db2.gz AFKFUQXHEPKCRL-HXUWFJFHSA-N 0 3 367.449 3.481 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000026711383 494834440 /nfs/dbraw/zinc/83/44/40/494834440.db2.gz IUNYZUOMMAMHDQ-FQEVSTJZSA-N 0 3 370.449 3.289 20 5 FGBDHN CC(C)N(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccnc1 ZINC000093223611 494846312 /nfs/dbraw/zinc/84/63/12/494846312.db2.gz KQYHXJFNFKBBRT-UHFFFAOYSA-N 0 3 370.409 3.198 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000027087081 494851970 /nfs/dbraw/zinc/85/19/70/494851970.db2.gz IBDNCUBPVZAGTK-IBGZPJMESA-N 0 3 355.438 3.337 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000116817146 494857081 /nfs/dbraw/zinc/85/70/81/494857081.db2.gz FXSLJTBVWKDAEE-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN CCN(CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CC(C)C ZINC000121825936 494869032 /nfs/dbraw/zinc/86/90/32/494869032.db2.gz XMPQPSQIONPYKA-CQSZACIVSA-N 0 3 371.503 3.167 20 5 FGBDHN COCCN(C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000127177593 494905482 /nfs/dbraw/zinc/90/54/82/494905482.db2.gz QGMSYAMRRWQDKG-UHFFFAOYSA-N 0 3 360.410 3.261 20 5 FGBDHN NC(=O)C[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093808801 494922269 /nfs/dbraw/zinc/92/22/69/494922269.db2.gz MXVFLFKGLBADSP-ZDUSSCGKSA-N 0 3 359.451 3.411 20 5 FGBDHN CC(C)CCSc1ccc(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000110651597 494998167 /nfs/dbraw/zinc/99/81/67/494998167.db2.gz GHIHIGZSOXGCGW-CQSZACIVSA-N 0 3 365.499 3.415 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000118978585 495063367 /nfs/dbraw/zinc/06/33/67/495063367.db2.gz JYYHIQUPNLOJMN-UHFFFAOYSA-N 0 3 363.801 3.441 20 5 FGBDHN CCO[C@H]1C[C@@H]1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000568715314 505759210 /nfs/dbraw/zinc/75/92/10/505759210.db2.gz ARAWCZVPUTUFPG-HKUYNNGSSA-N 0 3 372.421 3.449 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119009539 495069777 /nfs/dbraw/zinc/06/97/77/495069777.db2.gz DACVZTHHSABUAU-UHFFFAOYSA-N 0 3 370.453 3.034 20 5 FGBDHN CC(C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000111385831 495071290 /nfs/dbraw/zinc/07/12/90/495071290.db2.gz JGSFRPXZGHYSNS-UHFFFAOYSA-N 0 3 369.215 3.478 20 5 FGBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129055257 495189074 /nfs/dbraw/zinc/18/90/74/495189074.db2.gz OKJDNBZICMPRAG-UHFFFAOYSA-N 0 3 367.449 3.260 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOc3ccc(Cl)cc3)C2)nc1 ZINC000112654986 495217360 /nfs/dbraw/zinc/21/73/60/495217360.db2.gz ACIRDHAVQVKRGZ-AWEZNQCLSA-N 0 3 362.817 3.208 20 5 FGBDHN COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000124970361 495372292 /nfs/dbraw/zinc/37/22/92/495372292.db2.gz FSPLMTXZSMLJSJ-ACJLOTCBSA-N 0 3 360.410 3.305 20 5 FGBDHN C[C@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000114771613 495423248 /nfs/dbraw/zinc/42/32/48/495423248.db2.gz HKQGNBJMFUSINC-JTQLQIEISA-N 0 3 369.215 3.478 20 5 FGBDHN O=C([C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCCCC1 ZINC000140105217 495489385 /nfs/dbraw/zinc/48/93/85/495489385.db2.gz RBBUKSKUCJSVCO-HXUWFJFHSA-N 0 3 367.449 3.481 20 5 FGBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CCC(C)CC2)CC1 ZINC000115567885 495518400 /nfs/dbraw/zinc/51/84/00/495518400.db2.gz SCKGJHVPXXIYPU-AQFXKWCLSA-N 0 3 374.485 3.118 20 5 FGBDHN CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000158603763 495548384 /nfs/dbraw/zinc/54/83/84/495548384.db2.gz KYQPVQWWOXFMDB-MRXNPFEDSA-N 0 3 369.425 3.118 20 5 FGBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCN(C)C)cc1 ZINC000176375046 495625617 /nfs/dbraw/zinc/62/56/17/495625617.db2.gz SXTGPAYDDRTRJL-UHFFFAOYSA-N 0 3 373.409 3.029 20 5 FGBDHN CN(C)Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154597161 495666608 /nfs/dbraw/zinc/66/66/08/495666608.db2.gz DQWPJUPNSVKBRE-UHFFFAOYSA-N 0 3 353.422 3.461 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000170971317 495672334 /nfs/dbraw/zinc/67/23/34/495672334.db2.gz CXSQRWTVGLYSOY-UHFFFAOYSA-N 0 3 360.385 3.408 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000182729798 495679132 /nfs/dbraw/zinc/67/91/32/495679132.db2.gz UOICPHDQQLZNPD-OAHLLOKOSA-N 0 3 358.442 3.033 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182834899 495720959 /nfs/dbraw/zinc/72/09/59/495720959.db2.gz OIVTYFCVDNSXKG-YPMHNXCESA-N 0 3 371.890 3.139 20 5 FGBDHN CN(CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccc(F)cc1 ZINC000176814268 495796191 /nfs/dbraw/zinc/79/61/91/495796191.db2.gz XNCBQOVAFOURJM-UHFFFAOYSA-N 0 3 372.400 3.163 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000155059063 495820312 /nfs/dbraw/zinc/82/03/12/495820312.db2.gz BOSPNMNMPUFKEW-AWEZNQCLSA-N 0 3 357.410 3.080 20 5 FGBDHN Cc1c(CC(=O)N2CCCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000160176004 495902155 /nfs/dbraw/zinc/90/21/55/495902155.db2.gz SLOQNONLTTWIHI-UHFFFAOYSA-N 0 3 367.449 3.180 20 5 FGBDHN O=C1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1c1c(F)cccc1F ZINC000180217676 495911541 /nfs/dbraw/zinc/91/15/41/495911541.db2.gz GPCKIDHJCSDOSR-YVZNUBBCSA-N 0 3 373.359 3.281 20 5 FGBDHN CC1(C)COCCN1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180422959 495991292 /nfs/dbraw/zinc/99/12/92/495991292.db2.gz IZRNNDHSONOEQL-HXUWFJFHSA-N 0 3 369.465 3.385 20 5 FGBDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000171850933 496062512 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FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000172199344 496206006 /nfs/dbraw/zinc/20/60/06/496206006.db2.gz TXTHCNKRSQQBOT-SFHVURJKSA-N 0 3 368.437 3.059 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000175202604 496290514 /nfs/dbraw/zinc/29/05/14/496290514.db2.gz ZGHFQOCKTBTNHB-YJBOKZPZSA-N 0 3 362.474 3.042 20 5 FGBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(C2CCCC2)CC1 ZINC000172422475 496292447 /nfs/dbraw/zinc/29/24/47/496292447.db2.gz XXTNCVJYSHCTMB-UHFFFAOYSA-N 0 3 351.834 3.339 20 5 FGBDHN CC(=O)N1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000152961139 496307964 /nfs/dbraw/zinc/30/79/64/496307964.db2.gz YPLLHNAYINARIK-MRXNPFEDSA-N 0 3 373.384 3.237 20 5 FGBDHN C[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178222297 496374309 /nfs/dbraw/zinc/37/43/09/496374309.db2.gz RGULMXCDMKKHLE-RHSMWYFYSA-N 0 3 361.467 3.380 20 5 FGBDHN CN(C)C(=O)[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000172669735 496380674 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FGBDHN CSc1cccc(C(=O)NCc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000188019468 496654706 /nfs/dbraw/zinc/65/47/06/496654706.db2.gz FQVWJSFSPTUCLS-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN Cc1cccnc1[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000182174992 496698154 /nfs/dbraw/zinc/69/81/54/496698154.db2.gz ASERBTPIBZYMKV-CRAIPNDOSA-N 0 3 359.426 3.025 20 5 FGBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000182178268 496699050 /nfs/dbraw/zinc/69/90/50/496699050.db2.gz VGOOJBBBRPPSKG-WBVHZDCISA-N 0 3 360.410 3.084 20 5 FGBDHN CS(=O)(=O)CCCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185216443 496706710 /nfs/dbraw/zinc/70/67/10/496706710.db2.gz DIBDUMBWHSXANZ-UHFFFAOYSA-N 0 3 366.439 3.159 20 5 FGBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273343549 496780093 /nfs/dbraw/zinc/78/00/93/496780093.db2.gz BDGTZCVMIJQDCO-UHFFFAOYSA-N 0 3 366.418 3.391 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)o1 ZINC000273355246 496782377 /nfs/dbraw/zinc/78/23/77/496782377.db2.gz DGBDRDGNZUOJOP-UHFFFAOYSA-N 0 3 364.377 3.231 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000195271707 496870934 /nfs/dbraw/zinc/87/09/34/496870934.db2.gz QZNJVJSWAIHTDR-IBGZPJMESA-N 0 3 368.437 3.231 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000195332780 496893282 /nfs/dbraw/zinc/89/32/82/496893282.db2.gz YLAXLUXSXPDIIF-QGZVFWFLSA-N 0 3 373.457 3.377 20 5 FGBDHN COCCCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188927804 496950706 /nfs/dbraw/zinc/95/07/06/496950706.db2.gz MCXDIJVUYQMFMY-UHFFFAOYSA-N 0 3 350.440 3.154 20 5 FGBDHN CSc1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195621254 496954715 /nfs/dbraw/zinc/95/47/15/496954715.db2.gz ZIOBOEFCZFCKMB-OLZOCXBDSA-N 0 3 351.472 3.167 20 5 FGBDHN O=[N+]([O-])c1cnc(NCC2(N3CCCCC3)CCOCC2)c(Cl)c1 ZINC000265668822 497157367 /nfs/dbraw/zinc/15/73/67/497157367.db2.gz YWNDQGJZTSNMEM-UHFFFAOYSA-N 0 3 354.838 3.090 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000249117805 497169977 /nfs/dbraw/zinc/16/99/77/497169977.db2.gz YSTSRDRPJSGKKS-SJLPKXTDSA-N 0 3 370.409 3.170 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192641754 497173131 /nfs/dbraw/zinc/17/31/31/497173131.db2.gz QFJVNGQMVLOQHP-QGZVFWFLSA-N 0 3 357.458 3.220 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000237190995 497203102 /nfs/dbraw/zinc/20/31/02/497203102.db2.gz COETUHARTUIPRN-QGZVFWFLSA-N 0 3 357.410 3.157 20 5 FGBDHN O=C(CCN1CC[C@H](CC(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278908874 497263820 /nfs/dbraw/zinc/26/38/20/497263820.db2.gz VUBYKABENWYZCK-SNVBAGLBSA-N 0 3 363.311 3.337 20 5 FGBDHN COc1ccc([C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000193179653 497317648 /nfs/dbraw/zinc/31/76/48/497317648.db2.gz UCFMHXUJHPVLID-FQEVSTJZSA-N 0 3 369.421 3.307 20 5 FGBDHN C[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000581074211 505904704 /nfs/dbraw/zinc/90/47/04/505904704.db2.gz KNNTYXAWZVTCRB-IBGZPJMESA-N 0 3 357.385 3.128 20 5 FGBDHN COc1cccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1[N+](=O)[O-] ZINC000194070570 497564342 /nfs/dbraw/zinc/56/43/42/497564342.db2.gz HXOWJTWWOLWTMD-HNNXBMFYSA-N 0 3 367.405 3.228 20 5 FGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246074441 497611774 /nfs/dbraw/zinc/61/17/74/497611774.db2.gz DXLROKURRCTLAO-QMTHXVAHSA-N 0 3 359.348 3.026 20 5 FGBDHN COc1cc(CN[C@H](C)CCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000268035150 497665456 /nfs/dbraw/zinc/66/54/56/497665456.db2.gz LXPNIKOWHUJELC-OAHLLOKOSA-N 0 3 374.437 3.433 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1N(C)C ZINC000569385701 505922676 /nfs/dbraw/zinc/92/26/76/505922676.db2.gz GPJCWYAGISCQID-UHFFFAOYSA-N 0 3 370.453 3.430 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000194552271 497702610 /nfs/dbraw/zinc/70/26/10/497702610.db2.gz VTMGXDPEKQPWCX-LJQANCHMSA-N 0 3 355.394 3.283 20 5 FGBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1c1ccccc1 ZINC000246449299 497738414 /nfs/dbraw/zinc/73/84/14/497738414.db2.gz COBJEYMPECSLKY-VQIMIIECSA-N 0 3 355.438 3.272 20 5 FGBDHN CCOCCCN1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246798636 497811899 /nfs/dbraw/zinc/81/18/99/497811899.db2.gz NAQJQMKRUNRPSS-WMLDXEAASA-N 0 3 363.458 3.346 20 5 FGBDHN O=C(Nc1ccc(O)cc1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299540741 497841117 /nfs/dbraw/zinc/84/11/17/497841117.db2.gz IZUPIVRFXVHZKN-UHFFFAOYSA-N 0 3 369.421 3.194 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000575188430 505938724 /nfs/dbraw/zinc/93/87/24/505938724.db2.gz YNDJIKHTSXIXFC-OAHLLOKOSA-N 0 3 371.437 3.244 20 5 FGBDHN COC(=O)[C@H](C)Oc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000295992087 497882711 /nfs/dbraw/zinc/88/27/11/497882711.db2.gz KHBQPFMRFZJYOW-KBPBESRZSA-N 0 3 358.394 3.386 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ccccn1 ZINC000578483599 505950183 /nfs/dbraw/zinc/95/01/83/505950183.db2.gz RNGIESWGIHDNLH-QGZVFWFLSA-N 0 3 370.409 3.164 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000301060299 497934407 /nfs/dbraw/zinc/93/44/07/497934407.db2.gz AVVPNRGOAYOQNI-MRXNPFEDSA-N 0 3 361.829 3.079 20 5 FGBDHN C[C@@]12CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000284895758 497934888 /nfs/dbraw/zinc/93/48/88/497934888.db2.gz UOQCOJDXEAAKMT-DZGCQCFKSA-N 0 3 372.252 3.439 20 5 FGBDHN C[C@@H](N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284969363 497956593 /nfs/dbraw/zinc/95/65/93/497956593.db2.gz FSIAZMNJAJMBOE-CJNGLKHVSA-N 0 3 369.425 3.134 20 5 FGBDHN Cc1nn(C)c(NC[C@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301127889 497963936 /nfs/dbraw/zinc/96/39/36/497963936.db2.gz XTYJQJKRPOWCOG-QGZVFWFLSA-N 0 3 357.458 3.132 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000572389141 505957160 /nfs/dbraw/zinc/95/71/60/505957160.db2.gz CMBGRONISLZNKD-UZLBHIALSA-N 0 3 369.421 3.209 20 5 FGBDHN CCc1cc(N2CCCN(CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301199092 497995524 /nfs/dbraw/zinc/99/55/24/497995524.db2.gz LRWCTHUDGLDINN-UHFFFAOYSA-N 0 3 355.442 3.146 20 5 FGBDHN C[C@@H]1CN(CC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301202953 497998459 /nfs/dbraw/zinc/99/84/59/497998459.db2.gz XKDAFPQUJIWSTE-ZIAGYGMSSA-N 0 3 351.422 3.060 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000569624447 505978728 /nfs/dbraw/zinc/97/87/28/505978728.db2.gz ZJOCPDQKTVMGPG-FPOVZHCZSA-N 0 3 367.449 3.245 20 5 FGBDHN Cc1cc(N2CCC(CN3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301499136 498137196 /nfs/dbraw/zinc/13/71/96/498137196.db2.gz CUMAIJBAMHDBPB-UHFFFAOYSA-N 0 3 353.850 3.105 20 5 FGBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364996532 498246780 /nfs/dbraw/zinc/24/67/80/498246780.db2.gz AUHTUCLKENTHTJ-AEFFLSMTSA-N 0 3 371.437 3.129 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000301864595 498301710 /nfs/dbraw/zinc/30/17/10/498301710.db2.gz GPZXYGJJHVXMQC-JKSUJKDBSA-N 0 3 361.829 3.296 20 5 FGBDHN CC[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289870036 498331217 /nfs/dbraw/zinc/33/12/17/498331217.db2.gz VSPYSBGENFDSLO-OKZBNKHCSA-N 0 3 368.389 3.467 20 5 FGBDHN Cc1ccccc1CN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301942157 498339604 /nfs/dbraw/zinc/33/96/04/498339604.db2.gz VIZKFVLSHDEVPI-UHFFFAOYSA-N 0 3 366.425 3.022 20 5 FGBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302151430 498419027 /nfs/dbraw/zinc/41/90/27/498419027.db2.gz BRPNVRVQMYXFSQ-MRXNPFEDSA-N 0 3 356.426 3.323 20 5 FGBDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@H]1C ZINC000578877114 506043232 /nfs/dbraw/zinc/04/32/32/506043232.db2.gz ZKMGBFNHBDHODM-ZIAGYGMSSA-N 0 3 370.457 3.107 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000297786221 498567523 /nfs/dbraw/zinc/56/75/23/498567523.db2.gz AITXFTCUEXKYPK-ZDUSSCGKSA-N 0 3 373.409 3.331 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(C[C@H]2c2nnc(C)o2)CC1 ZINC000362861933 498567810 /nfs/dbraw/zinc/56/78/10/498567810.db2.gz PTKALWDWNUCNAG-INIZCTEOSA-N 0 3 372.425 3.455 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913954 498608497 /nfs/dbraw/zinc/60/84/97/498608497.db2.gz UCNVNFZATKHTIF-XHDPSFHLSA-N 0 3 371.359 3.170 20 5 FGBDHN C[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCF ZINC000282717158 498624558 /nfs/dbraw/zinc/62/45/58/498624558.db2.gz LUNOVODSHDBHFN-RYUDHWBXSA-N 0 3 365.430 3.448 20 5 FGBDHN CCN1CCN(c2ccc(Nc3nccc(C)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000303693870 498706150 /nfs/dbraw/zinc/70/61/50/498706150.db2.gz NFPYXJIIIVBAMC-UHFFFAOYSA-N 0 3 355.442 3.492 20 5 FGBDHN CCc1cc(N2CCC[C@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)ncn1 ZINC000579024456 506077221 /nfs/dbraw/zinc/07/72/21/506077221.db2.gz ONNMFUBOHWTOCP-MAUKXSAKSA-N 0 3 367.453 3.193 20 5 FGBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000303944278 498730876 /nfs/dbraw/zinc/73/08/76/498730876.db2.gz ZBANCYZXVKSAFX-SJORKVTESA-N 0 3 363.458 3.109 20 5 FGBDHN COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1OC ZINC000570078970 506085269 /nfs/dbraw/zinc/08/52/69/506085269.db2.gz GSWKODKZJJMGGC-HNNXBMFYSA-N 0 3 372.425 3.002 20 5 FGBDHN CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294736238 498788866 /nfs/dbraw/zinc/78/88/66/498788866.db2.gz DQGABBNFIVQJFY-QGZVFWFLSA-N 0 3 358.442 3.242 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000324598859 498829291 /nfs/dbraw/zinc/82/92/91/498829291.db2.gz HYGLMMVVBFQEBG-CYBMUJFWSA-N 0 3 371.220 3.431 20 5 FGBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291478943 498957084 /nfs/dbraw/zinc/95/70/84/498957084.db2.gz KIYYAAOUFXVIAM-UHFFFAOYSA-N 0 3 360.241 3.315 20 5 FGBDHN CN1CCN(CC2(C)CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000363767146 498982865 /nfs/dbraw/zinc/98/28/65/498982865.db2.gz QPEMGPGEPVYHHT-UHFFFAOYSA-N 0 3 366.893 3.102 20 5 FGBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN(Cc2ccccc2)C1 ZINC000582066449 506126266 /nfs/dbraw/zinc/12/62/66/506126266.db2.gz DISUZCHOOTUNFN-IBGZPJMESA-N 0 3 357.385 3.128 20 5 FGBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291825210 499078850 /nfs/dbraw/zinc/07/88/50/499078850.db2.gz BKHMVTGHTBTZJP-OQPBUACISA-N 0 3 358.225 3.114 20 5 FGBDHN COCC[C@@H]1CCCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000364167503 499126731 /nfs/dbraw/zinc/12/67/31/499126731.db2.gz JSNCGYYIICQGQH-AWEZNQCLSA-N 0 3 350.415 3.100 20 5 FGBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CCNC2 ZINC000582110457 506136304 /nfs/dbraw/zinc/13/63/04/506136304.db2.gz LQDNBKVEFAMWIM-UHFFFAOYSA-N 0 3 368.437 3.385 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372910398 499193580 /nfs/dbraw/zinc/19/35/80/499193580.db2.gz YIIHMZMBLJRVJF-RDTXWAMCSA-N 0 3 351.410 3.413 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C2CCOCC2)C1 ZINC000371066486 499285594 /nfs/dbraw/zinc/28/55/94/499285594.db2.gz SCSCJCMDBVUXES-CZUORRHYSA-N 0 3 372.425 3.454 20 5 FGBDHN O=C(NC1CC1)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000371403371 499321560 /nfs/dbraw/zinc/32/15/60/499321560.db2.gz PWCHPAJAXLCKPL-UHFFFAOYSA-N 0 3 369.421 3.345 20 5 FGBDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000368695104 499322662 /nfs/dbraw/zinc/32/26/62/499322662.db2.gz RIUCYKKLIHPBRK-OAHLLOKOSA-N 0 3 371.441 3.143 20 5 FGBDHN Cc1cc([C@@H]2CCCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000368695104 499322663 /nfs/dbraw/zinc/32/26/63/499322663.db2.gz RIUCYKKLIHPBRK-OAHLLOKOSA-N 0 3 371.441 3.143 20 5 FGBDHN CCCn1nccc1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000369212416 499377973 /nfs/dbraw/zinc/37/79/73/499377973.db2.gz BLYNBEYQRJGRTA-IBGZPJMESA-N 0 3 358.442 3.114 20 5 FGBDHN CN1CC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369567169 499419018 /nfs/dbraw/zinc/41/90/18/499419018.db2.gz GXALLRVSEKLFPQ-IURKIPIQSA-N 0 3 371.462 3.479 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372401864 499429699 /nfs/dbraw/zinc/42/96/99/499429699.db2.gz RWHLHGICYAPLBT-GUYCJALGSA-N 0 3 374.828 3.066 20 5 FGBDHN CN1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369672726 499434983 /nfs/dbraw/zinc/43/49/83/499434983.db2.gz SDHIKVCRHSSRCO-KDOFPFPSSA-N 0 3 359.451 3.008 20 5 FGBDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000373175584 499455290 /nfs/dbraw/zinc/45/52/90/499455290.db2.gz AHVQPEDCMIBHMC-AWEZNQCLSA-N 0 3 373.434 3.376 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(CCSc3ccc(F)cc3)CC2)n1 ZINC000373226017 499458594 /nfs/dbraw/zinc/45/85/94/499458594.db2.gz BUOTXWUWLSYEHC-UHFFFAOYSA-N 0 3 350.419 3.360 20 5 FGBDHN COC[C@H]1CCCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000376370977 499603850 /nfs/dbraw/zinc/60/38/50/499603850.db2.gz SGIXINPTKWULFY-KGLIPLIRSA-N 0 3 360.414 3.454 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1ccncc1 ZINC000411414076 499737128 /nfs/dbraw/zinc/73/71/28/499737128.db2.gz DOXLBCACMGQHET-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN Cc1ccc([C@H](C)NCCC(=O)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000411478253 499745789 /nfs/dbraw/zinc/74/57/89/499745789.db2.gz UESDZFAHMHWEEJ-AWEZNQCLSA-N 0 3 370.409 3.292 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ccccc1S(C)(=O)=O ZINC000414227630 499769540 /nfs/dbraw/zinc/76/95/40/499769540.db2.gz CULJQWCPXBAMNB-CQSZACIVSA-N 0 3 362.451 3.109 20 5 FGBDHN COc1cc(CNC[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414518056 499802029 /nfs/dbraw/zinc/80/20/29/499802029.db2.gz ROKNYFNZMJDBFH-SRVKXCTJSA-N 0 3 374.384 3.150 20 5 FGBDHN CO[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000411896716 499802007 /nfs/dbraw/zinc/80/20/07/499802007.db2.gz SKTYRQUQABKLRR-QUCCMNQESA-N 0 3 369.421 3.134 20 5 FGBDHN CC[C@@](CNCc1ccc(OC)c([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414595029 499812447 /nfs/dbraw/zinc/81/24/47/499812447.db2.gz YOVAWDHRCQBSLW-FQEVSTJZSA-N 0 3 372.421 3.214 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000415881119 499923927 /nfs/dbraw/zinc/92/39/27/499923927.db2.gz HJNCRNLOFDRISN-CYBMUJFWSA-N 0 3 354.410 3.432 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417143183 499986406 /nfs/dbraw/zinc/98/64/06/499986406.db2.gz UNZBQWYIDBOWDJ-FZKQIMNGSA-N 0 3 356.426 3.217 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@H](C)C[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000421359791 500026369 /nfs/dbraw/zinc/02/63/69/500026369.db2.gz GVUPPBVNOBEIMV-ZIAGYGMSSA-N 0 3 360.410 3.314 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1OC ZINC000429288166 500043135 /nfs/dbraw/zinc/04/31/35/500043135.db2.gz OCEXKSZSKWPALI-HUUCEWRRSA-N 0 3 369.849 3.370 20 5 FGBDHN C[C@@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000425457017 500111681 /nfs/dbraw/zinc/11/16/81/500111681.db2.gz KJUIRGPWEPESIO-HUUCEWRRSA-N 0 3 355.232 3.405 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425630470 500164504 /nfs/dbraw/zinc/16/45/04/500164504.db2.gz RWMZNXWUWUVWFX-MRXNPFEDSA-N 0 3 369.421 3.127 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000579507455 506190442 /nfs/dbraw/zinc/19/04/42/506190442.db2.gz PWXWPNBBOKHQFH-ZDUSSCGKSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1ccc(NC(=O)CNC(C)(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000419331063 500354483 /nfs/dbraw/zinc/35/44/83/500354483.db2.gz IVJNCURKIZLMOY-UHFFFAOYSA-N 0 3 371.437 3.461 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccccn3)CC2)c(Cl)c1 ZINC000419675486 500389100 /nfs/dbraw/zinc/38/91/00/500389100.db2.gz AGBUTDVBXCKFQA-UHFFFAOYSA-N 0 3 360.845 3.397 20 5 FGBDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cnn1C ZINC000431703363 500412084 /nfs/dbraw/zinc/41/20/84/500412084.db2.gz QXAMGIRRMAXHFP-PKOBYXMFSA-N 0 3 358.442 3.380 20 5 FGBDHN NC[C@H](NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CCCC1 ZINC000423952476 500423230 /nfs/dbraw/zinc/42/32/30/500423230.db2.gz IZUKMRQMOYTXNR-KRWDZBQOSA-N 0 3 367.424 3.068 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000431872167 500437464 /nfs/dbraw/zinc/43/74/64/500437464.db2.gz SUUCDXBOJZAPRM-GJZGRUSLSA-N 0 3 362.474 3.392 20 5 FGBDHN CCN(CC)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])c1ccsc1 ZINC000420580219 500474879 /nfs/dbraw/zinc/47/48/79/500474879.db2.gz CFGBBFAIAYWLIF-HNNXBMFYSA-N 0 3 362.455 3.250 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000428789841 500557397 /nfs/dbraw/zinc/55/73/97/500557397.db2.gz WHDJPIJKDZADJT-YWZLYKJASA-N 0 3 354.406 3.473 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](COC)[C@@H]1CCCO1 ZINC000433005345 500604919 /nfs/dbraw/zinc/60/49/19/500604919.db2.gz LKTCKMASCJIPIL-YCPHGPKFSA-N 0 3 354.472 3.249 20 5 FGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](C)C1 ZINC000437183704 500611256 /nfs/dbraw/zinc/61/12/56/500611256.db2.gz MPAHEHBISVELLT-VXGBXAGGSA-N 0 3 373.375 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(CO)CC3(CCC3)C2)c1 ZINC000433211586 500648660 /nfs/dbraw/zinc/64/86/60/500648660.db2.gz ZUJBDFLYKZPRCP-UHFFFAOYSA-N 0 3 356.369 3.229 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444077135 500799879 /nfs/dbraw/zinc/79/98/79/500799879.db2.gz SIKDUCSAPYWJAC-QWHCGFSZSA-N 0 3 367.424 3.033 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434447072 500844004 /nfs/dbraw/zinc/84/40/04/500844004.db2.gz SXMNHRUHCOXQRW-HNNXBMFYSA-N 0 3 363.483 3.454 20 5 FGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448847364 500850763 /nfs/dbraw/zinc/85/07/63/500850763.db2.gz WIEQGEMWUKIFAS-ZDUSSCGKSA-N 0 3 367.421 3.127 20 5 FGBDHN Cc1c(CC(=O)N2CCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000439125438 500859890 /nfs/dbraw/zinc/85/98/90/500859890.db2.gz VTYKITCUYGXZIY-UHFFFAOYSA-N 0 3 359.470 3.170 20 5 FGBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000439702443 500928598 /nfs/dbraw/zinc/92/85/98/500928598.db2.gz NXBSTTTWPCESOD-AWEZNQCLSA-N 0 3 353.850 3.489 20 5 FGBDHN C[C@@H](NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000449210133 500948536 /nfs/dbraw/zinc/94/85/36/500948536.db2.gz VWZHRAFOJPMEAR-ZIAGYGMSSA-N 0 3 362.451 3.453 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000449336505 500981424 /nfs/dbraw/zinc/98/14/24/500981424.db2.gz NSULHOARQYMLEP-DNVCBOLYSA-N 0 3 355.438 3.205 20 5 FGBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN(C2CC2)C1 ZINC000449345078 500982724 /nfs/dbraw/zinc/98/27/24/500982724.db2.gz GOCHWBNVGJHZKU-GFCCVEGCSA-N 0 3 355.385 3.112 20 5 FGBDHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681432 501060846 /nfs/dbraw/zinc/06/08/46/501060846.db2.gz VVMOWHYDMAOHKX-BBRMVZONSA-N 0 3 362.451 3.295 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@H](C3CC3)C2)cc1Br ZINC000602616192 506234107 /nfs/dbraw/zinc/23/41/07/506234107.db2.gz IBXYUXXOGHJKOF-CABZTGNLSA-N 0 3 361.261 3.466 20 5 FGBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCCC2)cc1 ZINC000450214956 501212055 /nfs/dbraw/zinc/21/20/55/501212055.db2.gz JLHVUSDYHDQWEZ-GOSISDBHSA-N 0 3 371.441 3.341 20 5 FGBDHN O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000450216770 501212448 /nfs/dbraw/zinc/21/24/48/501212448.db2.gz RGNDZOKZSXSKLG-KRWDZBQOSA-N 0 3 352.394 3.407 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272459 501304614 /nfs/dbraw/zinc/30/46/14/501304614.db2.gz UYCFTQOKKDOZEC-NHCUHLMSSA-N 0 3 369.465 3.121 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCCN(CCCO)C2)c2ccccc2)c1 ZINC000453280518 501306668 /nfs/dbraw/zinc/30/66/68/501306668.db2.gz BXXNYXOJOYPMHN-CTNGQTDRSA-N 0 3 369.465 3.121 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000451550411 501320893 /nfs/dbraw/zinc/32/08/93/501320893.db2.gz ROGDOCPHGITIOX-FUHWJXTLSA-N 0 3 374.412 3.353 20 5 FGBDHN CC(C)[C@H](CO)[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000451619578 501338169 /nfs/dbraw/zinc/33/81/69/501338169.db2.gz XVHSSNPEKMORNZ-RDJZCZTQSA-N 0 3 362.430 3.024 20 5 FGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451772876 501369598 /nfs/dbraw/zinc/36/95/98/501369598.db2.gz BFJWHSVWBGKXLZ-OCCSQVGLSA-N 0 3 360.332 3.435 20 5 FGBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OCCN(C)C ZINC000458189016 501387989 /nfs/dbraw/zinc/38/79/89/501387989.db2.gz CVAOJZYIEPVNQH-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458198717 501390599 /nfs/dbraw/zinc/39/05/99/501390599.db2.gz PPFTWUOXOBFZRC-UHFFFAOYSA-N 0 3 357.410 3.025 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3cc(F)ccc3F)CC2)c1 ZINC000451969333 501411033 /nfs/dbraw/zinc/41/10/33/501411033.db2.gz WCSNIXHUIGEJJJ-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000458523365 501465825 /nfs/dbraw/zinc/46/58/25/501465825.db2.gz WBJACDANDBQQHD-UKRRQHHQSA-N 0 3 360.458 3.090 20 5 FGBDHN N[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[C@H]1F ZINC000596108848 506264228 /nfs/dbraw/zinc/26/42/28/506264228.db2.gz ZNTYBFOAOMRMPX-HUUCEWRRSA-N 0 3 353.781 3.379 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000457093385 501649330 /nfs/dbraw/zinc/64/93/30/501649330.db2.gz OCLHZZNZWDMSHF-LBPRGKRZSA-N 0 3 359.348 3.168 20 5 FGBDHN COc1ccc(-c2ccc(CNCC[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000582514616 506266568 /nfs/dbraw/zinc/26/65/68/506266568.db2.gz SIAFLGQUBRDULJ-HNNXBMFYSA-N 0 3 374.315 3.266 20 5 FGBDHN C[C@@H](N[C@@H](C)CCCc1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459643370 501691747 /nfs/dbraw/zinc/69/17/47/501691747.db2.gz OJQPDXYFXDWYIC-LSDHHAIUSA-N 0 3 356.426 3.318 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)CCCc1cccnc1 ZINC000459651903 501693355 /nfs/dbraw/zinc/69/33/55/501693355.db2.gz ZTDAZARLDQWZIA-OAHLLOKOSA-N 0 3 356.426 3.238 20 5 FGBDHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000457529977 501717281 /nfs/dbraw/zinc/71/72/81/501717281.db2.gz NUIAFNNORMEARH-KBXCAEBGSA-N 0 3 356.426 3.258 20 5 FGBDHN COCC[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266691 501752555 /nfs/dbraw/zinc/75/25/55/501752555.db2.gz UGQWHIOBCXHQBM-CVEARBPZSA-N 0 3 363.458 3.369 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596131752 506272831 /nfs/dbraw/zinc/27/28/31/506272831.db2.gz COFMPULCHSWQLD-CQSZACIVSA-N 0 3 368.437 3.331 20 5 FGBDHN COc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000474390761 501818474 /nfs/dbraw/zinc/81/84/74/501818474.db2.gz QYOIDVFBESFKPS-GOSISDBHSA-N 0 3 369.421 3.170 20 5 FGBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474783968 501951837 /nfs/dbraw/zinc/95/18/37/501951837.db2.gz ILQUQLSPBMLFKV-CQSZACIVSA-N 0 3 357.439 3.015 20 5 FGBDHN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000474785277 501951987 /nfs/dbraw/zinc/95/19/87/501951987.db2.gz RSZSJOPKKAUBIE-GHMZBOCLSA-N 0 3 357.252 3.427 20 5 FGBDHN CC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)c2ccccc2C1 ZINC000478499553 502001851 /nfs/dbraw/zinc/00/18/51/502001851.db2.gz RINYRIMJGJCGSO-LJQANCHMSA-N 0 3 353.422 3.486 20 5 FGBDHN O=[N+]([O-])c1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000596167534 506289057 /nfs/dbraw/zinc/28/90/57/506289057.db2.gz JWWCYVXSPQCLMY-ZDUSSCGKSA-N 0 3 359.348 3.279 20 5 FGBDHN Cc1c(NC(=O)CCN(C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000464849071 502117991 /nfs/dbraw/zinc/11/79/91/502117991.db2.gz KHTUNPOTZIUJBS-UHFFFAOYSA-N 0 3 371.437 3.380 20 5 FGBDHN CO[C@]1(C)C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000465412602 502255480 /nfs/dbraw/zinc/25/54/80/502255480.db2.gz QXHFNXMLOUUIEM-OVWKYPIYSA-N 0 3 369.849 3.368 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000602798611 506304289 /nfs/dbraw/zinc/30/42/89/506304289.db2.gz MANVJWFWSNLABA-OAHLLOKOSA-N 0 3 368.441 3.164 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000602798611 506304291 /nfs/dbraw/zinc/30/42/91/506304291.db2.gz MANVJWFWSNLABA-OAHLLOKOSA-N 0 3 368.441 3.164 20 5 FGBDHN C[C@H](NCC1(OCCO)CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599065967 506306194 /nfs/dbraw/zinc/30/61/94/506306194.db2.gz OGCORPRMMVXNJQ-ZDUSSCGKSA-N 0 3 358.385 3.202 20 5 FGBDHN COCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC=CCC1 ZINC000483492388 502409742 /nfs/dbraw/zinc/40/97/42/502409742.db2.gz TVFKTSRXOPLEAV-OAHLLOKOSA-N 0 3 362.426 3.266 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075049 506311909 /nfs/dbraw/zinc/31/19/09/506311909.db2.gz RHTPJJHNMUKZOE-UGSOOPFHSA-N 0 3 369.421 3.471 20 5 FGBDHN C[C@@H](CN1CCCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000476220728 502418872 /nfs/dbraw/zinc/41/88/72/502418872.db2.gz NPDCWANMKZSZPR-AWEZNQCLSA-N 0 3 365.449 3.392 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466213464 502505410 /nfs/dbraw/zinc/50/54/10/502505410.db2.gz AMBUPJRYUDBWCS-CQSZACIVSA-N 0 3 368.865 3.312 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000469794330 502548150 /nfs/dbraw/zinc/54/81/50/502548150.db2.gz PDSIQDDCFOQCNA-ZFWWWQNUSA-N 0 3 351.472 3.496 20 5 FGBDHN COc1ccc([C@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484562866 502670454 /nfs/dbraw/zinc/67/04/54/502670454.db2.gz BMFXLELELIMJJV-WMLDXEAASA-N 0 3 360.410 3.036 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137977 502674763 /nfs/dbraw/zinc/67/47/63/502674763.db2.gz WVTFYARGKROHBX-UHFFFAOYSA-N 0 3 373.388 3.167 20 5 FGBDHN CCOC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000470153948 502682652 /nfs/dbraw/zinc/68/26/52/502682652.db2.gz AOTOGZXMCGBKKN-IBGZPJMESA-N 0 3 360.385 3.345 20 5 FGBDHN CC(C)[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000488562603 502751892 /nfs/dbraw/zinc/75/18/92/502751892.db2.gz RZWYVIJQKLOMBD-QGZVFWFLSA-N 0 3 360.483 3.490 20 5 FGBDHN COc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000593013355 506334831 /nfs/dbraw/zinc/33/48/31/506334831.db2.gz HZAZIMDOAMFDMW-GHMZBOCLSA-N 0 3 362.304 3.290 20 5 FGBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467043518 502769575 /nfs/dbraw/zinc/76/95/75/502769575.db2.gz DRSAMBVOJPNJBU-DYVFJYSZSA-N 0 3 357.385 3.127 20 5 FGBDHN COC(=O)Cc1ccc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126447 506333559 /nfs/dbraw/zinc/33/35/59/506333559.db2.gz HFPIUCWUNPZXTL-INIZCTEOSA-N 0 3 361.442 3.129 20 5 FGBDHN O=[N+]([O-])c1cc(N2CCC(N3CCCOCC3)CC2)ccc1C(F)(F)F ZINC000596268428 506334904 /nfs/dbraw/zinc/33/49/04/506334904.db2.gz KJSKHMMKIZXMEO-UHFFFAOYSA-N 0 3 373.375 3.305 20 5 FGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000513196192 502875413 /nfs/dbraw/zinc/87/54/13/502875413.db2.gz MUMUTPBGFJPCRQ-ZDUSSCGKSA-N 0 3 367.409 3.459 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489317149 502927217 /nfs/dbraw/zinc/92/72/17/502927217.db2.gz GMZCLLKXHULKBY-INIZCTEOSA-N 0 3 370.453 3.395 20 5 FGBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000505574423 502938760 /nfs/dbraw/zinc/93/87/60/502938760.db2.gz IWLWSIINGJQIRO-DJJJIMSYSA-N 0 3 359.401 3.084 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489451795 502962277 /nfs/dbraw/zinc/96/22/77/502962277.db2.gz SJZZWRMKYPGVSV-JXSMBQFASA-N 0 3 374.485 3.336 20 5 FGBDHN Cc1c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000501227839 502962730 /nfs/dbraw/zinc/96/27/30/502962730.db2.gz LRKWHLLQZDSVGQ-WBVHZDCISA-N 0 3 353.422 3.469 20 5 FGBDHN C[C@@H]1CCCCN1CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497542756 502983706 /nfs/dbraw/zinc/98/37/06/502983706.db2.gz HUCAMPPTZZQNGB-CQSZACIVSA-N 0 3 369.487 3.065 20 5 FGBDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243192 503078361 /nfs/dbraw/zinc/07/83/61/503078361.db2.gz OBLVFTQAGHEJIK-YJBOKZPZSA-N 0 3 371.437 3.238 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000514077558 503081437 /nfs/dbraw/zinc/08/14/37/503081437.db2.gz URLALSGWZYICOQ-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN CCOc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000490139014 503115593 /nfs/dbraw/zinc/11/55/93/503115593.db2.gz IWVDIICOTFEIGN-GASCZTMLSA-N 0 3 351.447 3.295 20 5 FGBDHN C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593039059 506352964 /nfs/dbraw/zinc/35/29/64/506352964.db2.gz CBNMHOJZRCXTMI-XLIONFOSSA-N 0 3 374.412 3.137 20 5 FGBDHN COc1c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)cccc1[N+](=O)[O-] ZINC000510522620 503132475 /nfs/dbraw/zinc/13/24/75/503132475.db2.gz IERGKUGCSXSKFA-KBXCAEBGSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)cc1[N+](=O)[O-] ZINC000510525717 503134217 /nfs/dbraw/zinc/13/42/17/503134217.db2.gz NTQREGHSJIRKQL-AUUYWEPGSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000510545562 503140703 /nfs/dbraw/zinc/14/07/03/503140703.db2.gz HKLFMRBUCIUGDP-QRWLVFNGSA-N 0 3 355.438 3.253 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000506635725 503147388 /nfs/dbraw/zinc/14/73/88/503147388.db2.gz MCQZVTRMDRZFHE-STQMWFEESA-N 0 3 351.472 3.309 20 5 FGBDHN CCn1nc(C)c(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000602925350 506355012 /nfs/dbraw/zinc/35/50/12/506355012.db2.gz LIFPPDNJZNOPNE-UHFFFAOYSA-N 0 3 373.457 3.197 20 5 FGBDHN Cc1ccc([C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])N2CCOCC2)o1 ZINC000514799782 503196671 /nfs/dbraw/zinc/19/66/71/503196671.db2.gz YSVMLRLBDQPUBW-MJGOQNOKSA-N 0 3 371.437 3.147 20 5 FGBDHN CC(C)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000502562513 503225574 /nfs/dbraw/zinc/22/55/74/503225574.db2.gz HBOMNWOGQSUXQG-QFBILLFUSA-N 0 3 362.401 3.461 20 5 FGBDHN C[C@@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000510995047 503232131 /nfs/dbraw/zinc/23/21/31/503232131.db2.gz IXGYJVDDKJCZFN-APWZRJJASA-N 0 3 367.449 3.479 20 5 FGBDHN CCC[C@@H](NCCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000510996094 503232585 /nfs/dbraw/zinc/23/25/85/503232585.db2.gz GCCKFBKKFCDOQE-GOSISDBHSA-N 0 3 366.425 3.244 20 5 FGBDHN CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000502748464 503262589 /nfs/dbraw/zinc/26/25/89/503262589.db2.gz ASYAPZRQBLHERL-UHFFFAOYSA-N 0 3 363.458 3.038 20 5 FGBDHN CN(CCC(=O)N1CCc2ccccc2C1)CCc1ccccc1[N+](=O)[O-] ZINC000511146553 503268816 /nfs/dbraw/zinc/26/88/16/503268816.db2.gz YLRDLZXJRRWEKC-UHFFFAOYSA-N 0 3 367.449 3.044 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000599184032 506363708 /nfs/dbraw/zinc/36/37/08/506363708.db2.gz WIBHTUUYMCFHNL-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cc(N2CCN(CCN(C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000511453971 503324498 /nfs/dbraw/zinc/32/44/98/503324498.db2.gz MGODCJSLDKENAT-UHFFFAOYSA-N 0 3 368.481 3.157 20 5 FGBDHN COc1c(C)cc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000507607379 503331158 /nfs/dbraw/zinc/33/11/58/503331158.db2.gz IADWOQYCBFSUMW-SFHVURJKSA-N 0 3 374.437 3.092 20 5 FGBDHN CCOc1ccc(NC(=O)CN[C@H]2CCC[C@H]2SCC)c([N+](=O)[O-])c1 ZINC000503446272 503411588 /nfs/dbraw/zinc/41/15/88/503411588.db2.gz JNQPHSIJUVCMNJ-GOEBONIOSA-N 0 3 367.471 3.196 20 5 FGBDHN O=C(CN[C@@H]1CCC[C@H]1OCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000503530410 503430758 /nfs/dbraw/zinc/43/07/58/503430758.db2.gz FUNNFCZDQCPWHM-IEBWSBKVSA-N 0 3 369.421 3.261 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000516103227 503446551 /nfs/dbraw/zinc/44/65/51/503446551.db2.gz COVJQNMDJOHVEJ-WMZOPIPTSA-N 0 3 373.497 3.496 20 5 FGBDHN C[C@H](CCN1CCOCC1)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494011578 503474247 /nfs/dbraw/zinc/47/42/47/503474247.db2.gz KHBYPLSYYLYUJJ-UTKZUKDTSA-N 0 3 369.465 3.385 20 5 FGBDHN C[C@@H](CCN1CCOCC1)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494011577 503474393 /nfs/dbraw/zinc/47/43/93/503474393.db2.gz KHBYPLSYYLYUJJ-LAUBAEHRSA-N 0 3 369.465 3.385 20 5 FGBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N1CCOCC1 ZINC000500053157 503542349 /nfs/dbraw/zinc/54/23/49/503542349.db2.gz VTBCDOHNAMUEJV-OXJNMPFZSA-N 0 3 355.438 3.146 20 5 FGBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000508758343 503559839 /nfs/dbraw/zinc/55/98/39/503559839.db2.gz ILSYULUZXKUMQM-MJBXVCDLSA-N 0 3 359.426 3.437 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000516709142 503574715 /nfs/dbraw/zinc/57/47/15/503574715.db2.gz HDIPQWMVAAWGFL-MAUKXSAKSA-N 0 3 368.437 3.230 20 5 FGBDHN Cn1cc([C@H](NCCc2cccc([N+](=O)[O-])c2)c2cccc(F)c2)cn1 ZINC000494988896 503646128 /nfs/dbraw/zinc/64/61/28/503646128.db2.gz PWCVZQOPZLOQIN-LJQANCHMSA-N 0 3 354.385 3.389 20 5 FGBDHN Cn1cc(CN2CCC(C(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536680820 503677844 /nfs/dbraw/zinc/67/78/44/503677844.db2.gz CCFSFRVHMDAGCY-UHFFFAOYSA-N 0 3 350.369 3.472 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CN(C)Cc2ccccc21 ZINC000540153776 503691278 /nfs/dbraw/zinc/69/12/78/503691278.db2.gz QEHRZJANVXFNBB-AUUYWEPGSA-N 0 3 368.437 3.088 20 5 FGBDHN C[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000540334202 503740541 /nfs/dbraw/zinc/74/05/41/503740541.db2.gz XYNADRPFLILZBA-HOTGVXAUSA-N 0 3 370.453 3.476 20 5 FGBDHN C[C@H](NCCCS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540381475 503754235 /nfs/dbraw/zinc/75/42/35/503754235.db2.gz VLQBRFZRKDKOOC-ZDUSSCGKSA-N 0 3 366.414 3.249 20 5 FGBDHN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000517599977 503782206 /nfs/dbraw/zinc/78/22/06/503782206.db2.gz SRQFAWHZDADJMA-JTDSTZFVSA-N 0 3 371.485 3.128 20 5 FGBDHN CC(C)(C(=O)NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000546583623 503797522 /nfs/dbraw/zinc/79/75/22/503797522.db2.gz WJJQBZGBWKSPMF-UHFFFAOYSA-N 0 3 351.422 3.004 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000540629446 503837804 /nfs/dbraw/zinc/83/78/04/503837804.db2.gz GWRPKQIOGHRTJN-HZPDHXFCSA-N 0 3 363.458 3.051 20 5 FGBDHN CC(C)NC(=O)c1ccc(NCCN2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000518066958 503901997 /nfs/dbraw/zinc/90/19/97/503901997.db2.gz HQMRJKKHXNHNCF-GJZGRUSLSA-N 0 3 362.474 3.408 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000543901499 503933448 /nfs/dbraw/zinc/93/34/48/503933448.db2.gz KIMRQANJCPMZHX-QGZVFWFLSA-N 0 3 361.373 3.235 20 5 FGBDHN COc1ccccc1[C@@]1(C)C[C@@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518361948 503963337 /nfs/dbraw/zinc/96/33/37/503963337.db2.gz INGDUKUPRDWYTD-AZUAARDMSA-N 0 3 369.421 3.252 20 5 FGBDHN CC(C)N(Cc1cccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280464 504072581 /nfs/dbraw/zinc/07/25/81/504072581.db2.gz BURATRNIQNETML-CQSZACIVSA-N 0 3 350.440 3.307 20 5 FGBDHN CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000537967175 504098790 /nfs/dbraw/zinc/09/87/90/504098790.db2.gz XFUOODZDBNKGDI-QGZVFWFLSA-N 0 3 358.394 3.486 20 5 FGBDHN Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000547449761 504108906 /nfs/dbraw/zinc/10/89/06/504108906.db2.gz FMNHJPPMJGCZOO-QGZVFWFLSA-N 0 3 354.410 3.299 20 5 FGBDHN C[C@H](NC(=O)NCCN(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000538146191 504145775 /nfs/dbraw/zinc/14/57/75/504145775.db2.gz WZDOJURHFVHHRK-HNNXBMFYSA-N 0 3 356.426 3.087 20 5 FGBDHN COC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000538281127 504187166 /nfs/dbraw/zinc/18/71/66/504187166.db2.gz YERPZOMFLGCJMK-MRXNPFEDSA-N 0 3 364.373 3.099 20 5 FGBDHN C[C@@H](C(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000541593132 504191732 /nfs/dbraw/zinc/19/17/32/504191732.db2.gz RWNJOGTXXJGHCJ-OLZOCXBDSA-N 0 3 351.422 3.026 20 5 FGBDHN COc1ccc(Cc2nc(-c3ccc(CN(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC000531348472 504275431 /nfs/dbraw/zinc/27/54/31/504275431.db2.gz GWIJORATFRRMPD-UHFFFAOYSA-N 0 3 368.393 3.306 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000538614454 504304260 /nfs/dbraw/zinc/30/42/60/504304260.db2.gz KZYKUCYWMAPIFQ-CYBMUJFWSA-N 0 3 358.398 3.068 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000531450491 504311668 /nfs/dbraw/zinc/31/16/68/504311668.db2.gz JFBMKNFGZCHMER-PXWIGAEESA-N 0 3 369.421 3.465 20 5 FGBDHN CCOc1cccc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000545163776 504381765 /nfs/dbraw/zinc/38/17/65/504381765.db2.gz XMYXPBVCUZWYES-HUUCEWRRSA-N 0 3 351.447 3.295 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)COC2 ZINC000542162519 504386548 /nfs/dbraw/zinc/38/65/48/504386548.db2.gz JJODQUXPIMDNOL-CYBMUJFWSA-N 0 3 355.394 3.132 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000520055292 504404425 /nfs/dbraw/zinc/40/44/25/504404425.db2.gz CUNRUKNDCGUUCO-KRWDZBQOSA-N 0 3 372.425 3.336 20 5 FGBDHN CC(C)N(Cc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520183381 504429447 /nfs/dbraw/zinc/42/94/47/504429447.db2.gz WJWSCXNFBJNWMT-SFHVURJKSA-N 0 3 362.401 3.384 20 5 FGBDHN C[C@@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000531932127 504478829 /nfs/dbraw/zinc/47/88/29/504478829.db2.gz RUBIGHONEPFLSQ-QAPCUYQASA-N 0 3 374.510 3.296 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000539287492 504519606 /nfs/dbraw/zinc/51/96/06/504519606.db2.gz PWVSXMRZOFFPRT-UZLBHIALSA-N 0 3 369.421 3.209 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 ZINC000520868783 504599694 /nfs/dbraw/zinc/59/96/94/504599694.db2.gz WDQLLDYFEBTEOS-LJQANCHMSA-N 0 3 366.421 3.417 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](OC(F)F)C3)o2)c1 ZINC000549414425 504815477 /nfs/dbraw/zinc/81/54/77/504815477.db2.gz TWECKFCPGICMEN-ZDUSSCGKSA-N 0 3 353.325 3.106 20 5 FGBDHN COc1ccc(CNCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000562492467 504836272 /nfs/dbraw/zinc/83/62/72/504836272.db2.gz MQULJZWAUXQEJM-UHFFFAOYSA-N 0 3 363.801 3.375 20 5 FGBDHN CCOc1cc(C)ccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566112152 505085100 /nfs/dbraw/zinc/08/51/00/505085100.db2.gz KLWNMXCDDWLXEK-UHFFFAOYSA-N 0 3 357.410 3.420 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3cccs3)c3nnc[n-]3)c2c1 ZINC000550820140 505108578 /nfs/dbraw/zinc/10/85/78/505108578.db2.gz XKPGCPXUQBSGGS-MRXNPFEDSA-N 0 3 368.422 3.177 20 5 FGBDHN CN1CCN(Cc2ccc(CNc3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC000557494190 505149697 /nfs/dbraw/zinc/14/96/97/505149697.db2.gz FEROHYZKIOLYIS-UHFFFAOYSA-N 0 3 358.417 3.093 20 5 FGBDHN CC[C@H](C)N[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccco1 ZINC000561357850 505324674 /nfs/dbraw/zinc/32/46/74/505324674.db2.gz MXEXDJAVVFAJIA-SWLSCSKDSA-N 0 3 360.414 3.089 20 5 FGBDHN Cc1c(NC(=O)CCN(C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000558178658 505328110 /nfs/dbraw/zinc/32/81/10/505328110.db2.gz SDFAILVEPYRFAK-UHFFFAOYSA-N 0 3 357.410 3.112 20 5 FGBDHN CNC(=O)c1ccc(N[C@H](C)[C@H](c2ccccc2C)N(C)C)c([N+](=O)[O-])c1 ZINC000561436338 505344760 /nfs/dbraw/zinc/34/47/60/505344760.db2.gz BTCGQMNRKNAUFF-AUUYWEPGSA-N 0 3 370.453 3.366 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000567061735 505352460 /nfs/dbraw/zinc/35/24/60/505352460.db2.gz DDZRZEXAIVQTGC-RMHQSFGDSA-N 0 3 357.454 3.235 20 5 FGBDHN CCN1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000552103758 505401548 /nfs/dbraw/zinc/40/15/48/505401548.db2.gz AVGFZJWCSHQEDM-AZUAARDMSA-N 0 3 371.437 3.150 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558739373 505478629 /nfs/dbraw/zinc/47/86/29/505478629.db2.gz HYAWPMDUTGBXRN-UHFFFAOYSA-N 0 3 357.410 3.107 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000558802269 505497320 /nfs/dbraw/zinc/49/73/20/505497320.db2.gz 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357.288 3.022 20 5 FGBDHN CC(COC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813112738 726840341 /nfs/dbraw/zinc/84/03/41/726840341.db2.gz KGFIOENCJPPSKM-SNVBAGLBSA-N 0 3 370.814 3.126 20 5 FGBDHN CC(COC(=O)COc1ccc2cc(Br)ccc2c1)[N+](=O)[O-] ZINC000813111926 726840471 /nfs/dbraw/zinc/84/04/71/726840471.db2.gz LSKKVYGZYCQIPB-JTQLQIEISA-N 0 3 368.183 3.190 20 5 FGBDHN C[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000820873825 729039390 /nfs/dbraw/zinc/03/93/90/729039390.db2.gz IISBHCVRWPYHEC-CYBMUJFWSA-N 0 3 365.861 3.124 20 5 FGBDHN CC(C)(CCC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N+](=O)[O-] ZINC000822873701 729227142 /nfs/dbraw/zinc/22/71/42/729227142.db2.gz ZRHYXWQTKVKIGA-UHFFFAOYSA-N 0 3 365.499 3.052 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000826836585 729416698 /nfs/dbraw/zinc/41/66/98/729416698.db2.gz JKAWVGQXCOPBBM-UHFFFAOYSA-N 0 3 365.817 3.354 20 5 FGBDHN Cc1ccc(CN[C@H](C)CC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000866538537 733363041 /nfs/dbraw/zinc/36/30/41/733363041.db2.gz BXDASVAPHIIIMV-GFCCVEGCSA-N 0 3 362.817 3.459 20 5 FGBDHN CCOC1CC2(C[C@@H]2C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000870454909 733854271 /nfs/dbraw/zinc/85/42/71/733854271.db2.gz RDDDHRJTWIDXKK-HMBLPYMXSA-N 0 3 351.374 3.280 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000872067903 735584402 /nfs/dbraw/zinc/58/44/02/735584402.db2.gz BXOHBJPTLHPEQH-OZVIIMIRSA-N 0 3 356.488 3.125 20 5 FGBDHN CC([C@@H](OC(=O)Cc1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000873544058 735775930 /nfs/dbraw/zinc/77/59/30/735775930.db2.gz BJWHSLNVMNYAMW-MGPLVRAMSA-N 0 3 352.749 3.366 20 5 FGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000888284689 739496184 /nfs/dbraw/zinc/49/61/84/739496184.db2.gz IMDJUARLGQAIJJ-NSHDSACASA-N 0 3 352.822 3.329 20 5 FGBDHN COc1ccc([C@H](CO)CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000894860392 742344325 /nfs/dbraw/zinc/34/43/25/742344325.db2.gz CDTZCJDEMRIBJF-AWEZNQCLSA-N 0 3 350.802 3.123 20 5 FGBDHN CN(CCC(F)(F)F)[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905252454 744007030 /nfs/dbraw/zinc/00/70/30/744007030.db2.gz CHJILRXYRZFQGP-CYBMUJFWSA-N 0 3 353.772 3.132 20 5 FGBDHN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302144085 257385191 /nfs/dbraw/zinc/38/51/91/257385191.db2.gz GFTMZAUPNKHFPH-FQEVSTJZSA-N 0 3 371.485 3.135 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CN(C)Cc2ccccc21 ZINC000536848837 503739879 /nfs/dbraw/zinc/73/98/79/503739879.db2.gz ZWWUXQITGYREBU-LIRRHRJNSA-N 0 3 368.437 3.088 20 5 FGBDHN COC[C@@]1(CNCc2ccc(C)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000568333249 505667950 /nfs/dbraw/zinc/66/79/50/505667950.db2.gz QBFZQMSORMGASJ-HXUWFJFHSA-N 0 3 356.422 3.107 20 5 FGBDHN CC[C@@H](C[C@@H](C)CO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556405 507747136 /nfs/dbraw/zinc/74/71/36/507747136.db2.gz FUBAUQQRGXEYLL-BDAKNGLRSA-N 0 3 351.266 3.306 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000580114196 505680009 /nfs/dbraw/zinc/68/00/09/505680009.db2.gz MHAJPUHSHAPRDX-BEFAXECRSA-N 0 3 353.422 3.296 20 5 FGBDHN CN(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000028746617 493799654 /nfs/dbraw/zinc/79/96/54/493799654.db2.gz PRKSFFPRRKMTAV-IBGZPJMESA-N 0 3 368.437 3.202 20 5 FGBDHN CCN(CC)[C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000031825128 493963573 /nfs/dbraw/zinc/96/35/73/493963573.db2.gz SMCLIEMYGSDGAG-MRXNPFEDSA-N 0 3 365.477 3.001 20 5 FGBDHN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000077323642 494058146 /nfs/dbraw/zinc/05/81/46/494058146.db2.gz WNQMXEMGLSVZAP-UHFFFAOYSA-N 0 3 355.822 3.076 20 5 FGBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383443 494073114 /nfs/dbraw/zinc/07/31/14/494073114.db2.gz OMVZSBCCMCLPJI-UHFFFAOYSA-N 0 3 371.437 3.198 20 5 FGBDHN CNC(=O)c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000053550639 494146105 /nfs/dbraw/zinc/14/61/05/494146105.db2.gz FVNGBNBPMXZPBA-IBGZPJMESA-N 0 3 368.437 3.203 20 5 FGBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000054148016 494200652 /nfs/dbraw/zinc/20/06/52/494200652.db2.gz HMKMEYRFSPATDO-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000065937874 494258864 /nfs/dbraw/zinc/25/88/64/494258864.db2.gz LPMHGJPMOBVMCE-UHFFFAOYSA-N 0 3 363.364 3.077 20 5 FGBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000043085649 494263125 /nfs/dbraw/zinc/26/31/25/494263125.db2.gz NZDXURRKUORDRH-KBPBESRZSA-N 0 3 351.472 3.066 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CCCC2)CC1 ZINC000045767994 494458963 /nfs/dbraw/zinc/45/89/63/494458963.db2.gz NGMUFFNIUJSEIT-AWEZNQCLSA-N 0 3 371.441 3.266 20 5 FGBDHN Cc1ccc(NC(=O)NCc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000045815785 494465997 /nfs/dbraw/zinc/46/59/97/494465997.db2.gz WUWMOLWFVJSXOR-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000056342933 494489601 /nfs/dbraw/zinc/48/96/01/494489601.db2.gz HFJPJQPLWQXNES-UHFFFAOYSA-N 0 3 368.437 3.059 20 5 FGBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000074530480 494555137 /nfs/dbraw/zinc/55/51/37/494555137.db2.gz QLJWGDVRQGJPLI-UHFFFAOYSA-N 0 3 353.378 3.333 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000121169528 494629297 /nfs/dbraw/zinc/62/92/97/494629297.db2.gz IUBLEDXXMPARFM-UHFFFAOYSA-N 0 3 363.439 3.114 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116068610 494692291 /nfs/dbraw/zinc/69/22/91/494692291.db2.gz QOBCPFFKUGCNTN-OAHLLOKOSA-N 0 3 368.437 3.254 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116068608 494693450 /nfs/dbraw/zinc/69/34/50/494693450.db2.gz QOBCPFFKUGCNTN-HNNXBMFYSA-N 0 3 368.437 3.254 20 5 FGBDHN CC[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000131689492 494701014 /nfs/dbraw/zinc/70/10/14/494701014.db2.gz LTRYIAFJGQJQHP-SFHVURJKSA-N 0 3 362.451 3.380 20 5 FGBDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000568620497 505738551 /nfs/dbraw/zinc/73/85/51/505738551.db2.gz IQQLNKUFKRPQLE-WMZOPIPTSA-N 0 3 356.422 3.310 20 5 FGBDHN CN1CCC(N(Cc2ccccc2F)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000068113664 494766389 /nfs/dbraw/zinc/76/63/89/494766389.db2.gz QPFBEOUJZVLCCA-UHFFFAOYSA-N 0 3 361.373 3.064 20 5 FGBDHN Cc1ccccc1CN1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000027391094 494865783 /nfs/dbraw/zinc/86/57/83/494865783.db2.gz BHKZGMNSGIGPTK-UHFFFAOYSA-N 0 3 367.449 3.180 20 5 FGBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132389086 494866692 /nfs/dbraw/zinc/86/66/92/494866692.db2.gz LWNNDRWCCGOYLQ-SFHVURJKSA-N 0 3 357.385 3.301 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000027429337 494867954 /nfs/dbraw/zinc/86/79/54/494867954.db2.gz SNIPOQBUOOMAAA-SFHVURJKSA-N 0 3 360.385 3.138 20 5 FGBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)N(C)C)cc1OC ZINC000132533921 494889073 /nfs/dbraw/zinc/88/90/73/494889073.db2.gz STODCUQXZNPICG-OAHLLOKOSA-N 0 3 360.414 3.030 20 5 FGBDHN COCCN(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000127173559 494904056 /nfs/dbraw/zinc/90/40/56/494904056.db2.gz DBPFKGGXTCRTME-UHFFFAOYSA-N 0 3 360.410 3.261 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(CCc2ccccc2)CC1 ZINC000122311238 494956595 /nfs/dbraw/zinc/95/65/95/494956595.db2.gz GKCHNAJTLCFQEG-UXBLZVDNSA-N 0 3 351.450 3.468 20 5 FGBDHN CCO[C@H]1C[C@H]1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000568715316 505759469 /nfs/dbraw/zinc/75/94/69/505759469.db2.gz ARAWCZVPUTUFPG-MJGOQNOKSA-N 0 3 372.421 3.449 20 5 FGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000128705390 495138059 /nfs/dbraw/zinc/13/80/59/495138059.db2.gz VZODMXOHQWVMIB-UHFFFAOYSA-N 0 3 354.410 3.334 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000123763831 495182508 /nfs/dbraw/zinc/18/25/08/495182508.db2.gz BAOCEKVSHXPGGQ-LJQANCHMSA-N 0 3 368.437 3.231 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc2cc(F)ccc2n1C ZINC000123886651 495201941 /nfs/dbraw/zinc/20/19/41/495201941.db2.gz RQWBAWMZFJDOIG-UHFFFAOYSA-N 0 3 372.400 3.352 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H](CCO)CSC)o2)c([N+](=O)[O-])c1 ZINC000124165901 495244583 /nfs/dbraw/zinc/24/45/83/495244583.db2.gz QYXWYUNLALOVLR-LBPRGKRZSA-N 0 3 366.439 3.067 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000135755398 495331795 /nfs/dbraw/zinc/33/17/95/495331795.db2.gz OCGVHEIZUABUGX-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000124986208 495374748 /nfs/dbraw/zinc/37/47/48/495374748.db2.gz LLWLHICMVFWKIC-UGSOOPFHSA-N 0 3 360.410 3.305 20 5 FGBDHN COc1ccc(CNCC[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000114771901 495423072 /nfs/dbraw/zinc/42/30/72/495423072.db2.gz MBWOBENIAACFAJ-CQSZACIVSA-N 0 3 360.410 3.043 20 5 FGBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COCc2ccccc2F)C2CC2)cc1 ZINC000130688798 495430139 /nfs/dbraw/zinc/43/01/39/495430139.db2.gz MZXCFVDFHVWVNR-LJQANCHMSA-N 0 3 374.412 3.276 20 5 FGBDHN COC(=O)[C@](C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000577746798 505784400 /nfs/dbraw/zinc/78/44/00/505784400.db2.gz HEPFCLCMROHPFQ-YLJYHZDGSA-N 0 3 372.396 3.442 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115438673 495504637 /nfs/dbraw/zinc/50/46/37/495504637.db2.gz IBAJXGIHPWHLDD-CYBMUJFWSA-N 0 3 374.466 3.132 20 5 FGBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(Br)cc3)CCC2)n1 ZINC000176216059 495549859 /nfs/dbraw/zinc/54/98/59/495549859.db2.gz UTKGQDGLLGKCDV-UHFFFAOYSA-N 0 3 365.231 3.223 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000176239102 495559221 /nfs/dbraw/zinc/55/92/21/495559221.db2.gz CUOQMGJWSBPSTF-UHFFFAOYSA-N 0 3 357.389 3.291 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000179402518 495578385 /nfs/dbraw/zinc/57/83/85/495578385.db2.gz JKSABHCFNWYUPX-GDBMZVCRSA-N 0 3 371.441 3.103 20 5 FGBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185551801 495618107 /nfs/dbraw/zinc/61/81/07/495618107.db2.gz PDUXMWFNJRGOHX-FASAQXTFSA-N 0 3 371.412 3.399 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000179561715 495641718 /nfs/dbraw/zinc/64/17/18/495641718.db2.gz IFPJUDVLBZFZDQ-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000182766421 495695215 /nfs/dbraw/zinc/69/52/15/495695215.db2.gz NGQQSLLSQUICMG-CABCVRRESA-N 0 3 355.442 3.382 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(C2CCCCC2)CC1 ZINC000154749107 495715939 /nfs/dbraw/zinc/71/59/39/495715939.db2.gz WAXAPARMIXATCL-UHFFFAOYSA-N 0 3 368.437 3.234 20 5 FGBDHN O=[N+]([O-])c1cc(CN(C[C@H]2CCCO2)C2CCCC2)c2c(c1)COCO2 ZINC000173842624 495716315 /nfs/dbraw/zinc/71/63/15/495716315.db2.gz LMKMPOPHKRSAOI-GOSISDBHSA-N 0 3 362.426 3.385 20 5 FGBDHN CC(C)COc1ccc(C(C)(C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182976798 495782014 /nfs/dbraw/zinc/78/20/14/495782014.db2.gz IOVATCWBYMFXKK-UHFFFAOYSA-N 0 3 373.453 3.316 20 5 FGBDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183028576 495804551 /nfs/dbraw/zinc/80/45/51/495804551.db2.gz NHGBQBGOFARSOB-VHSXEESVSA-N 0 3 358.236 3.320 20 5 FGBDHN C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000155024327 495807826 /nfs/dbraw/zinc/80/78/26/495807826.db2.gz BDNVXBBVLZZYDM-FOIQADDNSA-N 0 3 373.428 3.458 20 5 FGBDHN COc1ccc(OCCN(CCc2nccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000159805099 495813235 /nfs/dbraw/zinc/81/32/35/495813235.db2.gz XZRPFYRWCFJDGU-UHFFFAOYSA-N 0 3 365.455 3.392 20 5 FGBDHN O=C1CCCN1CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180007683 495819796 /nfs/dbraw/zinc/81/97/96/495819796.db2.gz MGPZNWYRQLCQMV-HXUWFJFHSA-N 0 3 353.422 3.286 20 5 FGBDHN CC[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000183213917 495883070 /nfs/dbraw/zinc/88/30/70/495883070.db2.gz WYIBXDHQKNWMBK-SZMVWBNQSA-N 0 3 360.458 3.172 20 5 FGBDHN COc1cc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180162192 495887110 /nfs/dbraw/zinc/88/71/10/495887110.db2.gz HXZYADFZRXQKOA-VXGBXAGGSA-N 0 3 356.369 3.479 20 5 FGBDHN CN1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160143181 495895684 /nfs/dbraw/zinc/89/56/84/495895684.db2.gz RJEODXOXXWAWQH-SNVBAGLBSA-N 0 3 360.336 3.077 20 5 FGBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155302418 495911250 /nfs/dbraw/zinc/91/12/50/495911250.db2.gz JGCWXKDHZSXKCS-OAHLLOKOSA-N 0 3 361.829 3.151 20 5 FGBDHN CC[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792195 495949773 /nfs/dbraw/zinc/94/97/73/495949773.db2.gz LAGRPFCNAWRBHM-RTWAWAEBSA-N 0 3 369.465 3.055 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000180344039 495959075 /nfs/dbraw/zinc/95/90/75/495959075.db2.gz NEUATHZKDWZBPO-CQSZACIVSA-N 0 3 368.437 3.412 20 5 FGBDHN COC(=O)c1coc([C@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000571795985 505816803 /nfs/dbraw/zinc/81/68/03/505816803.db2.gz DEQIVVGMLVDPLV-NSHDSACASA-N 0 3 357.366 3.349 20 5 FGBDHN COC(=O)c1coc([C@@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000571795983 505816886 /nfs/dbraw/zinc/81/68/86/505816886.db2.gz DEQIVVGMLVDPLV-LLVKDONJSA-N 0 3 357.366 3.349 20 5 FGBDHN CC(C)n1cnnc1[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174550836 496005848 /nfs/dbraw/zinc/00/58/48/496005848.db2.gz ZYWCFXHQKXBGSD-OAHLLOKOSA-N 0 3 359.430 3.026 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000151977312 496011322 /nfs/dbraw/zinc/01/13/22/496011322.db2.gz IVYWLZDKJHLLAE-STQMWFEESA-N 0 3 373.400 3.498 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160885936 496061125 /nfs/dbraw/zinc/06/11/25/496061125.db2.gz WKUCQLAFZXCQRP-GOEBONIOSA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1cccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000183721194 496092744 /nfs/dbraw/zinc/09/27/44/496092744.db2.gz KFLAZPXEVMAHLQ-OAHLLOKOSA-N 0 3 353.422 3.452 20 5 FGBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cn1ccnc1 ZINC000172116631 496172324 /nfs/dbraw/zinc/17/23/24/496172324.db2.gz YYDPKFLFZSVXJX-ZDUSSCGKSA-N 0 3 357.439 3.341 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174941650 496174635 /nfs/dbraw/zinc/17/46/35/496174635.db2.gz DMEIAPMMTIENBH-MRXNPFEDSA-N 0 3 371.412 3.328 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174941633 496174791 /nfs/dbraw/zinc/17/47/91/496174791.db2.gz DMEIAPMMTIENBH-INIZCTEOSA-N 0 3 371.412 3.328 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000152544106 496182275 /nfs/dbraw/zinc/18/22/75/496182275.db2.gz KOAUQUCRDXLFEU-UHFFFAOYSA-N 0 3 352.394 3.319 20 5 FGBDHN Cc1ccc([C@H](C)NCCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000177811490 496206285 /nfs/dbraw/zinc/20/62/85/496206285.db2.gz ISYYKKGZGBCXOH-HNNXBMFYSA-N 0 3 362.451 3.418 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000181085171 496263786 /nfs/dbraw/zinc/26/37/86/496263786.db2.gz AOLPDRUUUAAXBY-AWEZNQCLSA-N 0 3 351.472 3.262 20 5 FGBDHN COc1ccc(CN[C@@H](C)c2cccc(-n3ccnn3)c2)cc1[N+](=O)[O-] ZINC000569019121 505831346 /nfs/dbraw/zinc/83/13/46/505831346.db2.gz UTEVLMPRWBJCMQ-ZDUSSCGKSA-N 0 3 353.382 3.035 20 5 FGBDHN Cc1c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000153043609 496334838 /nfs/dbraw/zinc/33/48/38/496334838.db2.gz ZARFENDSWUFNKV-UHFFFAOYSA-N 0 3 370.409 3.024 20 5 FGBDHN CCOc1ccc([C@H](C)NCCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000153099163 496353043 /nfs/dbraw/zinc/35/30/43/496353043.db2.gz OGKUEENQNUZQLF-AWEZNQCLSA-N 0 3 363.458 3.483 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000153112106 496358177 /nfs/dbraw/zinc/35/81/77/496358177.db2.gz GWSSTALZUPQAIL-CXAGYDPISA-N 0 3 360.410 3.386 20 5 FGBDHN C[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178222281 496375161 /nfs/dbraw/zinc/37/51/61/496375161.db2.gz RGULMXCDMKKHLE-WMLDXEAASA-N 0 3 361.467 3.380 20 5 FGBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000163020935 496451042 /nfs/dbraw/zinc/45/10/42/496451042.db2.gz FBLOQGKQUDBWGT-IIYDPXPESA-N 0 3 355.394 3.076 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000157390632 496468221 /nfs/dbraw/zinc/46/82/21/496468221.db2.gz VWEUQMIPYSVXLU-UHFFFAOYSA-N 0 3 357.439 3.281 20 5 FGBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000181634795 496479019 /nfs/dbraw/zinc/47/90/19/496479019.db2.gz ROQIAQXSMUUMOA-KRWDZBQOSA-N 0 3 351.353 3.022 20 5 FGBDHN COc1ccc(F)cc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187592447 496503295 /nfs/dbraw/zinc/50/32/95/496503295.db2.gz PWRXVSYZNQMQOH-LBPRGKRZSA-N 0 3 361.373 3.249 20 5 FGBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000181696303 496506419 /nfs/dbraw/zinc/50/64/19/496506419.db2.gz PTKQQPUXWLITTG-SFHVURJKSA-N 0 3 357.410 3.209 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1 ZINC000163548780 496530167 /nfs/dbraw/zinc/53/01/67/496530167.db2.gz BELFPHQAYAXZOU-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN C[C@H](NCCCN1C(=O)COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178658972 496531540 /nfs/dbraw/zinc/53/15/40/496531540.db2.gz OGQDSIZIHDNWAO-AWEZNQCLSA-N 0 3 355.394 3.061 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000181842409 496568977 /nfs/dbraw/zinc/56/89/77/496568977.db2.gz UQAOUEXFNZDRCV-GOEBONIOSA-N 0 3 369.421 3.475 20 5 FGBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000173343082 496650560 /nfs/dbraw/zinc/65/05/60/496650560.db2.gz UAQKENXZJTXRCL-CHWSQXEVSA-N 0 3 363.439 3.378 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000182065921 496656173 /nfs/dbraw/zinc/65/61/73/496656173.db2.gz KCRQLZBAXAKWBH-HKUYNNGSSA-N 0 3 368.433 3.486 20 5 FGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185092446 496657034 /nfs/dbraw/zinc/65/70/34/496657034.db2.gz AKCQRNRKXCMAMC-MCIONIFRSA-N 0 3 351.422 3.074 20 5 FGBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000185133280 496675753 /nfs/dbraw/zinc/67/57/53/496675753.db2.gz FQEVDLGBQMJBPR-ZIAGYGMSSA-N 0 3 351.422 3.074 20 5 FGBDHN CC(C)[C@H]1CN(C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182134436 496682100 /nfs/dbraw/zinc/68/21/00/496682100.db2.gz VPFATWMLLVYMSM-QGZVFWFLSA-N 0 3 360.483 3.490 20 5 FGBDHN O=[N+]([O-])c1cnn(CCNCc2cc(Br)c(Cl)s2)c1 ZINC000191364814 496738391 /nfs/dbraw/zinc/73/83/91/496738391.db2.gz LFLUFHMCFPWVKT-UHFFFAOYSA-N 0 3 365.640 3.059 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000569148585 505863544 /nfs/dbraw/zinc/86/35/44/505863544.db2.gz APQDWTVCESAXBV-OAHLLOKOSA-N 0 3 362.813 3.267 20 5 FGBDHN CCC[C@@]1(COC)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000194933457 496765870 /nfs/dbraw/zinc/76/58/70/496765870.db2.gz SNAYWXKMQLIGPP-SFHVURJKSA-N 0 3 350.415 3.242 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2O[C@H]1C ZINC000580919262 505867737 /nfs/dbraw/zinc/86/77/37/505867737.db2.gz PHBIVPIUJGTIEX-QHRIQVFBSA-N 0 3 355.394 3.424 20 5 FGBDHN CC[C@@H](NCCN1CCc2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000191624720 496836827 /nfs/dbraw/zinc/83/68/27/496836827.db2.gz OJSJHFOEKKVROV-LJQANCHMSA-N 0 3 353.422 3.334 20 5 FGBDHN CCOC(=O)[C@](C)(CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191632549 496840477 /nfs/dbraw/zinc/84/04/77/496840477.db2.gz WZIRRPWUVNLZDN-HXUWFJFHSA-N 0 3 372.421 3.214 20 5 FGBDHN O=C(NCc1ccc2c(c1)CNC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000188666479 496870334 /nfs/dbraw/zinc/87/03/34/496870334.db2.gz UQIVJXBONLJSIA-UHFFFAOYSA-N 0 3 353.403 3.343 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264346906 496877456 /nfs/dbraw/zinc/87/74/56/496877456.db2.gz ZDADIHZCWYYVLV-UHFFFAOYSA-N 0 3 359.401 3.303 20 5 FGBDHN COc1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000278206856 497038052 /nfs/dbraw/zinc/03/80/52/497038052.db2.gz HHHVOUHWHQCFRL-SFHVURJKSA-N 0 3 372.421 3.142 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000274670441 497141808 /nfs/dbraw/zinc/14/18/08/497141808.db2.gz XREJZPHBSJXQKO-UGSOOPFHSA-N 0 3 357.410 3.025 20 5 FGBDHN Cc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248997160 497148201 /nfs/dbraw/zinc/14/82/01/497148201.db2.gz GXJPLEWNLCGMRI-WMZOPIPTSA-N 0 3 354.410 3.470 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCCS(=O)(=O)c1ccccc1)CCC2 ZINC000192748053 497202067 /nfs/dbraw/zinc/20/20/67/497202067.db2.gz SNMUHMOLHADDNE-IBGZPJMESA-N 0 3 374.462 3.426 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCCS(=O)(=O)c1ccccc1)CCC2 ZINC000192748040 497202758 /nfs/dbraw/zinc/20/27/58/497202758.db2.gz SNMUHMOLHADDNE-LJQANCHMSA-N 0 3 374.462 3.426 20 5 FGBDHN O=C(NCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc([O-])c1 ZINC000192801753 497218140 /nfs/dbraw/zinc/21/81/40/497218140.db2.gz JDLZIGPQBAXVIG-IBGZPJMESA-N 0 3 369.421 3.088 20 5 FGBDHN Cc1nc(C)c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000266130818 497263689 /nfs/dbraw/zinc/26/36/89/497263689.db2.gz CTHNUMLLGZGJMI-UHFFFAOYSA-N 0 3 357.439 3.358 20 5 FGBDHN C[C@@H]1CN(C[C@@H]2CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000255448547 497367341 /nfs/dbraw/zinc/36/73/41/497367341.db2.gz PQBHJADKORTCQH-XTFWMQFUSA-N 0 3 359.470 3.182 20 5 FGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000271676862 497416525 /nfs/dbraw/zinc/41/65/25/497416525.db2.gz OGEZNXMCINLDLI-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275905243 497460000 /nfs/dbraw/zinc/46/00/00/497460000.db2.gz VCFGCBIGSGYAAL-LBPRGKRZSA-N 0 3 353.850 3.359 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245644276 497485589 /nfs/dbraw/zinc/48/55/89/497485589.db2.gz LDFZMTGBLPITTH-PKOBYXMFSA-N 0 3 368.437 3.182 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000581106206 505910720 /nfs/dbraw/zinc/91/07/20/505910720.db2.gz DHCDWPISIVJZGC-OAHLLOKOSA-N 0 3 373.428 3.428 20 5 FGBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000267425744 497550012 /nfs/dbraw/zinc/55/00/12/497550012.db2.gz XJEDWZORLGQSBZ-UHFFFAOYSA-N 0 3 372.444 3.268 20 5 FGBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000280066666 497637663 /nfs/dbraw/zinc/63/76/63/497637663.db2.gz HJNQJPWAKXRFOJ-ZDUSSCGKSA-N 0 3 369.824 3.017 20 5 FGBDHN Cc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000194395859 497653010 /nfs/dbraw/zinc/65/30/10/497653010.db2.gz CTFLQTUGXGMVTI-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1cccnc1 ZINC000299575012 497853108 /nfs/dbraw/zinc/85/31/08/497853108.db2.gz HLWUGWYDHRTEGN-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299574941 497853872 /nfs/dbraw/zinc/85/38/72/497853872.db2.gz HJWUWINMPXFBFA-QGZVFWFLSA-N 0 3 372.425 3.410 20 5 FGBDHN CN(C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000572398631 505959409 /nfs/dbraw/zinc/95/94/09/505959409.db2.gz VHIWQWMZWDALKJ-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CC1CCN(C[C@@H](O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301186733 497991340 /nfs/dbraw/zinc/99/13/40/497991340.db2.gz VMQXTHINFFWYNT-ZDUSSCGKSA-N 0 3 361.364 3.118 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301251117 498020465 /nfs/dbraw/zinc/02/04/65/498020465.db2.gz CAYROAOTMAQZQU-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN CC(C)(CO)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289366588 498122075 /nfs/dbraw/zinc/12/20/75/498122075.db2.gz AJGNWPRVCGRXNS-GDBMZVCRSA-N 0 3 350.440 3.039 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C[C@@H](C)O1 ZINC000301536400 498152548 /nfs/dbraw/zinc/15/25/48/498152548.db2.gz AORIEIIMKFILTG-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000581444621 505990228 /nfs/dbraw/zinc/99/02/28/505990228.db2.gz SKTFVAUOUUHPGL-MSOLQXFVSA-N 0 3 373.478 3.228 20 5 FGBDHN Cc1ccnc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301585560 498175185 /nfs/dbraw/zinc/17/51/85/498175185.db2.gz VYTOUFZZJDULNA-HOTGVXAUSA-N 0 3 362.474 3.014 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCN(C2CCCC2)C1 ZINC000301629795 498197390 /nfs/dbraw/zinc/19/73/90/498197390.db2.gz BAUAFUIHAIJODQ-NSHDSACASA-N 0 3 355.236 3.181 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)cnc1NCC1(N2CCSCC2)CCCC1 ZINC000301727371 498240881 /nfs/dbraw/zinc/24/08/81/498240881.db2.gz BBVMBZRVUUWRPE-UHFFFAOYSA-N 0 3 356.879 3.417 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCO[C@]4(CCOC4)C3)o2)c1 ZINC000360063640 498242399 /nfs/dbraw/zinc/24/23/99/498242399.db2.gz ZVEZVRVDLBVMNC-HNAYVOBHSA-N 0 3 358.394 3.283 20 5 FGBDHN CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364996539 498245826 /nfs/dbraw/zinc/24/58/26/498245826.db2.gz AUHTUCLKENTHTJ-SJLPKXTDSA-N 0 3 371.437 3.129 20 5 FGBDHN CN(C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000569741856 506005248 /nfs/dbraw/zinc/00/52/48/506005248.db2.gz CARZKSCBTUXXQR-UHFFFAOYSA-N 0 3 355.410 3.498 20 5 FGBDHN Cc1cc(N(C)[C@@H]2CCN(C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833376 498284875 /nfs/dbraw/zinc/28/48/75/498284875.db2.gz SCEDEBRVUKMZCI-CXAGYDPISA-N 0 3 355.442 3.137 20 5 FGBDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286095700 498290649 /nfs/dbraw/zinc/29/06/49/498290649.db2.gz KUVPZJRBUIMVBH-PVXIVEMSSA-N 0 3 367.471 3.194 20 5 FGBDHN C[C@H](O)C[C@H]1CCCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286171309 498313165 /nfs/dbraw/zinc/31/31/65/498313165.db2.gz WUBPGUJWKMHALI-XJKSGUPXSA-N 0 3 360.414 3.160 20 5 FGBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293610532 498428153 /nfs/dbraw/zinc/42/81/53/498428153.db2.gz WMVBEHRBXYCUCQ-LLVKDONJSA-N 0 3 359.348 3.216 20 5 FGBDHN O=C(c1ccncc1)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000297624352 498515557 /nfs/dbraw/zinc/51/55/57/498515557.db2.gz LOLXCHNNNFXKKZ-UHFFFAOYSA-N 0 3 374.828 3.038 20 5 FGBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000297668200 498531089 /nfs/dbraw/zinc/53/10/89/498531089.db2.gz OVAIVOAJZFACCY-AWEZNQCLSA-N 0 3 360.414 3.022 20 5 FGBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302698335 498536865 /nfs/dbraw/zinc/53/68/65/498536865.db2.gz WTALWYZFFSAKQZ-HNNXBMFYSA-N 0 3 371.485 3.137 20 5 FGBDHN Cc1nc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302782219 498571782 /nfs/dbraw/zinc/57/17/82/498571782.db2.gz KCUZWOAURHAECV-QGZVFWFLSA-N 0 3 356.426 3.001 20 5 FGBDHN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000302798817 498579987 /nfs/dbraw/zinc/57/99/87/498579987.db2.gz RQKRBDURXGPYSD-INIZCTEOSA-N 0 3 359.401 3.437 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363043205 498618452 /nfs/dbraw/zinc/61/84/52/498618452.db2.gz XLQATVBQOCPQFB-KRWDZBQOSA-N 0 3 370.453 3.460 20 5 FGBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332325547 498649708 /nfs/dbraw/zinc/64/97/08/498649708.db2.gz JCUBZBULDQINEC-ORAYPTAESA-N 0 3 364.442 3.128 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298221644 498700985 /nfs/dbraw/zinc/70/09/85/498700985.db2.gz GBQPIMHXMUWGAE-GOEBONIOSA-N 0 3 353.369 3.209 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(CN2CCCC2)cc1 ZINC000298344291 498738044 /nfs/dbraw/zinc/73/80/44/498738044.db2.gz NFAMOJJPZDRREY-UHFFFAOYSA-N 0 3 353.422 3.463 20 5 FGBDHN C[C@@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000310797304 498748609 /nfs/dbraw/zinc/74/86/09/498748609.db2.gz SFEXEWSAAJANIH-OCCSQVGLSA-N 0 3 357.439 3.379 20 5 FGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651824 498753771 /nfs/dbraw/zinc/75/37/71/498753771.db2.gz UTOWKQHTWZASQD-ZIAGYGMSSA-N 0 3 351.834 3.255 20 5 FGBDHN CNc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000312552003 498761452 /nfs/dbraw/zinc/76/14/52/498761452.db2.gz XKWOQQJNPXPPES-RHSMWYFYSA-N 0 3 368.437 3.029 20 5 FGBDHN CNc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000312552013 498761507 /nfs/dbraw/zinc/76/15/07/498761507.db2.gz XKWOQQJNPXPPES-YOEHRIQHSA-N 0 3 368.437 3.029 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccc3c2OCCCO3)n1 ZINC000581923951 506090237 /nfs/dbraw/zinc/09/02/37/506090237.db2.gz CLEKECIKEJYXAR-HZPDHXFCSA-N 0 3 372.425 3.226 20 5 FGBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266664 498868872 /nfs/dbraw/zinc/86/88/72/498868872.db2.gz DNGBTEYGMGMYLU-QMTHXVAHSA-N 0 3 372.252 3.458 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc3c(c2)OCCCO3)n1 ZINC000579193463 506114074 /nfs/dbraw/zinc/11/40/74/506114074.db2.gz PMZNBLHREAROJH-JKSUJKDBSA-N 0 3 372.425 3.226 20 5 FGBDHN Cc1c([C@@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367270232 499171003 /nfs/dbraw/zinc/17/10/03/499171003.db2.gz KNKAPGRIWRSCGR-SFHVURJKSA-N 0 3 371.441 3.111 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000372910396 499193607 /nfs/dbraw/zinc/19/36/07/499193607.db2.gz YIIHMZMBLJRVJF-KSSFIOAISA-N 0 3 351.410 3.413 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367532363 499209642 /nfs/dbraw/zinc/20/96/42/499209642.db2.gz ZSXKAQBLMUHOIO-MSOLQXFVSA-N 0 3 356.422 3.072 20 5 FGBDHN O=C(NC1CCN(Cc2cccs2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370471762 499223770 /nfs/dbraw/zinc/22/37/70/499223770.db2.gz LSMKSTFFYRDEPT-UHFFFAOYSA-N 0 3 363.414 3.190 20 5 FGBDHN CC(C)c1ccc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370706730 499246412 /nfs/dbraw/zinc/24/64/12/499246412.db2.gz CJCVAYLPENQUDD-YLJYHZDGSA-N 0 3 374.529 3.176 20 5 FGBDHN COCCn1cc2c(n1)[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000368186722 499272335 /nfs/dbraw/zinc/27/23/35/499272335.db2.gz ALSPBPODSAZCHM-MAUKXSAKSA-N 0 3 372.469 3.426 20 5 FGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccc(F)c2)CC1 ZINC000371005766 499279474 /nfs/dbraw/zinc/27/94/74/499279474.db2.gz PLBNSMCPHFJUJT-FQEVSTJZSA-N 0 3 373.428 3.368 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3ccccc3CO)CC2)c1 ZINC000369026959 499358621 /nfs/dbraw/zinc/35/86/21/499358621.db2.gz OWXYMFXMZSCDMD-HXUWFJFHSA-N 0 3 356.422 3.000 20 5 FGBDHN CN1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369542296 499415123 /nfs/dbraw/zinc/41/51/23/499415123.db2.gz ZUAKHZRFZPVIGY-WBMJQRKESA-N 0 3 360.439 3.471 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3cccc4cnccc43)CC2)c1 ZINC000373029048 499447985 /nfs/dbraw/zinc/44/79/85/499447985.db2.gz MESLGIPWMAJNRO-UHFFFAOYSA-N 0 3 351.410 3.219 20 5 FGBDHN C[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000397927598 499565057 /nfs/dbraw/zinc/56/50/57/499565057.db2.gz SPMJGJOHFCCEAO-HXUWFJFHSA-N 0 3 368.437 3.160 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1CNCC2 ZINC000375938425 499569922 /nfs/dbraw/zinc/56/99/22/499569922.db2.gz RHTUHDLQOYQQMN-GFCCVEGCSA-N 0 3 357.435 3.360 20 5 FGBDHN Cc1nnc([C@@H]2CC23CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC3)o1 ZINC000377614546 499710266 /nfs/dbraw/zinc/71/02/66/499710266.db2.gz JFAQQMOMNRILSE-KRWDZBQOSA-N 0 3 372.425 3.325 20 5 FGBDHN COc1ccc(NC(=O)CCN2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411305135 499724060 /nfs/dbraw/zinc/72/40/60/499724060.db2.gz DPUZSVXLIPSYFD-AWEZNQCLSA-N 0 3 369.421 3.379 20 5 FGBDHN Cc1cn2c(n1)[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CCC2 ZINC000377831215 499740178 /nfs/dbraw/zinc/74/01/78/499740178.db2.gz KTUDHFBYKPEIRH-GFCCVEGCSA-N 0 3 366.368 3.368 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000415306890 499885132 /nfs/dbraw/zinc/88/51/32/499885132.db2.gz YPVCUSVQHBHWLB-JKSUJKDBSA-N 0 3 354.410 3.170 20 5 FGBDHN COc1cc(CNC[C@@H]2CC23CCSCC3)c([N+](=O)[O-])cc1OC ZINC000421349774 500023594 /nfs/dbraw/zinc/02/35/94/500023594.db2.gz JYDXJMWPEBLVHK-ZDUSSCGKSA-N 0 3 352.456 3.235 20 5 FGBDHN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000413823808 500067247 /nfs/dbraw/zinc/06/72/47/500067247.db2.gz BBLBOZQZXQUUOH-MDASCCDHSA-N 0 3 357.454 3.031 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4nnc[n-]4)C3)s2)cc1 ZINC000425360952 500084642 /nfs/dbraw/zinc/08/46/42/500084642.db2.gz WQOREXIGFPOBSZ-CYBMUJFWSA-N 0 3 355.423 3.431 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4nnc[n-]4)C3)s2)cc1 ZINC000425360952 500084644 /nfs/dbraw/zinc/08/46/44/500084644.db2.gz WQOREXIGFPOBSZ-CYBMUJFWSA-N 0 3 355.423 3.431 20 5 FGBDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440743 500106615 /nfs/dbraw/zinc/10/66/15/500106615.db2.gz HDTPUZSIAVETMD-RISCZKNCSA-N 0 3 357.248 3.340 20 5 FGBDHN COC1([C@@H](C)NCc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000425468476 500114376 /nfs/dbraw/zinc/11/43/76/500114376.db2.gz DSNPLPXBBYYFLA-LLVKDONJSA-N 0 3 373.247 3.031 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000425470253 500115889 /nfs/dbraw/zinc/11/58/89/500115889.db2.gz FLEHNVZUABWCHG-BPLDGKMQSA-N 0 3 367.243 3.405 20 5 FGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000425611101 500159776 /nfs/dbraw/zinc/15/97/76/500159776.db2.gz RZUGPMFKDXKCMT-QGZVFWFLSA-N 0 3 371.412 3.186 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)c1 ZINC000425619786 500161713 /nfs/dbraw/zinc/16/17/13/500161713.db2.gz HIXJKGDFJYCHHK-OAHLLOKOSA-N 0 3 369.421 3.127 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@@H](C)C2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000421866739 500166163 /nfs/dbraw/zinc/16/61/63/500166163.db2.gz OALHCGZORUWJND-KGLIPLIRSA-N 0 3 352.431 3.228 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418645224 500300040 /nfs/dbraw/zinc/30/00/40/500300040.db2.gz CWPKBGLXMUHVAP-SFHVURJKSA-N 0 3 370.453 3.392 20 5 FGBDHN COCC[C@H](COC)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000582330519 506188156 /nfs/dbraw/zinc/18/81/56/506188156.db2.gz WGDNMSTUZLCGGO-CYBMUJFWSA-N 0 3 350.440 3.464 20 5 FGBDHN O=C(CCN1CCC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000419309044 500351971 /nfs/dbraw/zinc/35/19/71/500351971.db2.gz FZUJZKUHPDALEI-QGZVFWFLSA-N 0 3 369.421 3.467 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000427188985 500364637 /nfs/dbraw/zinc/36/46/37/500364637.db2.gz HFDZZTDWFSAVHW-GOSISDBHSA-N 0 3 369.421 3.170 20 5 FGBDHN CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000423616689 500390020 /nfs/dbraw/zinc/39/00/20/500390020.db2.gz WUAZNGZFOCJJHB-ZWKOTPCHSA-N 0 3 353.422 3.285 20 5 FGBDHN O=C([N-]c1nc(C2CC[NH2+]CC2)cs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423977433 500428627 /nfs/dbraw/zinc/42/86/27/500428627.db2.gz JBRJVVXVHPHODL-UHFFFAOYSA-N 0 3 366.830 3.424 20 5 FGBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000431870510 500436972 /nfs/dbraw/zinc/43/69/72/500436972.db2.gz IUONNSJQNBZRAT-GJZGRUSLSA-N 0 3 362.474 3.250 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424025735 500438831 /nfs/dbraw/zinc/43/88/31/500438831.db2.gz SIMDXZMUMIXTIY-DLBZAZTESA-N 0 3 371.412 3.226 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCN1CCc2ccccc2C1 ZINC000431896880 500440302 /nfs/dbraw/zinc/44/03/02/500440302.db2.gz UXUGLIPYDZMLPP-UHFFFAOYSA-N 0 3 353.422 3.002 20 5 FGBDHN CC1(C)[C@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000421010861 500553210 /nfs/dbraw/zinc/55/32/10/500553210.db2.gz CQLYUDBHPNYHDX-KRWDZBQOSA-N 0 3 353.422 3.462 20 5 FGBDHN O=C1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1 ZINC000447564764 500625495 /nfs/dbraw/zinc/62/54/95/500625495.db2.gz ZBDAOBACCGEEEG-DNVCBOLYSA-N 0 3 351.406 3.367 20 5 FGBDHN CC1(C)C[C@H](NCCNC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433167982 500638325 /nfs/dbraw/zinc/63/83/25/500638325.db2.gz KWBWGWWHGYEVPS-SFHVURJKSA-N 0 3 353.422 3.337 20 5 FGBDHN CN(CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000447677864 500643737 /nfs/dbraw/zinc/64/37/37/500643737.db2.gz WWRRSLVMTCRERP-UHFFFAOYSA-N 0 3 354.279 3.150 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000448258953 500741496 /nfs/dbraw/zinc/74/14/96/500741496.db2.gz ZWAKZXBYJUNLQP-SFHVURJKSA-N 0 3 374.485 3.389 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](CO)Cc1ccco1 ZINC000602570780 506220459 /nfs/dbraw/zinc/22/04/59/506220459.db2.gz TXCSIBZQLTUXTC-NSHDSACASA-N 0 3 358.316 3.147 20 5 FGBDHN CCOC(=O)CC1(NCc2cc(OC)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000434611678 500865181 /nfs/dbraw/zinc/86/51/81/500865181.db2.gz JPGOMPKFKYTPLD-UHFFFAOYSA-N 0 3 354.378 3.098 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC(C)(C)C1 ZINC000444616983 500867744 /nfs/dbraw/zinc/86/77/44/500867744.db2.gz KNXTTZBCQIMYNG-CQSZACIVSA-N 0 3 365.499 3.314 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCCC2=O)c1 ZINC000449080152 500919759 /nfs/dbraw/zinc/91/97/59/500919759.db2.gz SYZJYAJDYZHYLC-OAHLLOKOSA-N 0 3 353.422 3.442 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000449104051 500925566 /nfs/dbraw/zinc/92/55/66/500925566.db2.gz SVKTVINZFSDDMR-YJBOKZPZSA-N 0 3 355.438 3.335 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000449104050 500925577 /nfs/dbraw/zinc/92/55/77/500925577.db2.gz SVKTVINZFSDDMR-QAPCUYQASA-N 0 3 355.438 3.335 20 5 FGBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000439702445 500928888 /nfs/dbraw/zinc/92/88/88/500928888.db2.gz NXBSTTTWPCESOD-CQSZACIVSA-N 0 3 353.850 3.489 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000449126887 500930853 /nfs/dbraw/zinc/93/08/53/500930853.db2.gz NMWKFIQQWJXUHZ-OLZOCXBDSA-N 0 3 355.394 3.208 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000439867705 500947686 /nfs/dbraw/zinc/94/76/86/500947686.db2.gz UJQQBGRZRYZROD-UHFFFAOYSA-N 0 3 364.446 3.380 20 5 FGBDHN C[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449210131 500948479 /nfs/dbraw/zinc/94/84/79/500948479.db2.gz VWZHRAFOJPMEAR-KGLIPLIRSA-N 0 3 362.451 3.453 20 5 FGBDHN CCOc1ccc(NC(=O)CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449220701 500950921 /nfs/dbraw/zinc/95/09/21/500950921.db2.gz QVQIZQKYVBBKMN-CQSZACIVSA-N 0 3 357.410 3.153 20 5 FGBDHN COCCn1cc2c(n1)[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449243407 500956015 /nfs/dbraw/zinc/95/60/15/500956015.db2.gz KNYMHHKGKRTKTB-WMLDXEAASA-N 0 3 358.442 3.036 20 5 FGBDHN Cc1ccc(CN2CC[C@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000449282123 500966105 /nfs/dbraw/zinc/96/61/05/500966105.db2.gz FTQXJPVEQAMRAE-LPHOPBHVSA-N 0 3 367.449 3.225 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000449295319 500969391 /nfs/dbraw/zinc/96/93/91/500969391.db2.gz RIGXROKTHPJXIO-HUUCEWRRSA-N 0 3 353.422 3.046 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](c1nccn1C)C1CCOCC1 ZINC000449315751 500975131 /nfs/dbraw/zinc/97/51/31/500975131.db2.gz JODRLWIHVURGRB-KSSFIOAISA-N 0 3 358.442 3.017 20 5 FGBDHN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN(C2CC2)C1 ZINC000449345079 500983007 /nfs/dbraw/zinc/98/30/07/500983007.db2.gz GOCHWBNVGJHZKU-LBPRGKRZSA-N 0 3 355.385 3.112 20 5 FGBDHN COc1cccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499294 500985933 /nfs/dbraw/zinc/98/59/33/500985933.db2.gz FFFDTKPVPGKLOO-ZBFHGGJFSA-N 0 3 369.421 3.169 20 5 FGBDHN CSc1ccccc1[C@H](C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000440610839 501028612 /nfs/dbraw/zinc/02/86/12/501028612.db2.gz IASXULWAHJKFDP-DZGCQCFKSA-N 0 3 362.451 3.407 20 5 FGBDHN COC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781405 501085194 /nfs/dbraw/zinc/08/51/94/501085194.db2.gz XBQHGSVZJGREMD-OAHLLOKOSA-N 0 3 358.442 3.244 20 5 FGBDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279468 501113556 /nfs/dbraw/zinc/11/35/56/501113556.db2.gz ARJSTQINIOVAAU-GXFFZTMASA-N 0 3 373.240 3.152 20 5 FGBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C2CC2)C[C@H](C)C1 ZINC000450546494 501150502 /nfs/dbraw/zinc/15/05/02/501150502.db2.gz IIGPDLZFOITNAQ-ZDUSSCGKSA-N 0 3 356.426 3.072 20 5 FGBDHN COc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])cc1F ZINC000450855260 501218946 /nfs/dbraw/zinc/21/89/46/501218946.db2.gz HALZIFQRWHGJLR-VUCTXSBTSA-N 0 3 350.390 3.180 20 5 FGBDHN C[C@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451106353 501246109 /nfs/dbraw/zinc/24/61/09/501246109.db2.gz OJABRLQAIZAPSA-SCLBCKFNSA-N 0 3 364.829 3.477 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3c(F)cccc3F)CC2)c1 ZINC000451955440 501407795 /nfs/dbraw/zinc/40/77/95/501407795.db2.gz DPKHPFBUGJQIAX-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000458312753 501417731 /nfs/dbraw/zinc/41/77/31/501417731.db2.gz IHDYVBFWKUBXGU-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452856581 501575190 /nfs/dbraw/zinc/57/51/90/501575190.db2.gz PUEXNCMIMATPQL-PKOBYXMFSA-N 0 3 357.454 3.175 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457099618 501650578 /nfs/dbraw/zinc/65/05/78/501650578.db2.gz VNTAYRXTMZJRGJ-CYBMUJFWSA-N 0 3 371.890 3.281 20 5 FGBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000457367009 501688125 /nfs/dbraw/zinc/68/81/25/501688125.db2.gz WGZRDDAKSBPWGX-HKUYNNGSSA-N 0 3 369.421 3.216 20 5 FGBDHN CCOC[C@H]1CCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000459679111 501697952 /nfs/dbraw/zinc/69/79/52/501697952.db2.gz SDQFWRFWIRZYPG-GOSISDBHSA-N 0 3 358.442 3.386 20 5 FGBDHN CN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000459904478 501721703 /nfs/dbraw/zinc/72/17/03/501721703.db2.gz RBPANSSHDXHNIK-ZIAGYGMSSA-N 0 3 373.375 3.466 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000470847900 501828191 /nfs/dbraw/zinc/82/81/91/501828191.db2.gz QEPNXDQDRBZASH-UHFFFAOYSA-N 0 3 373.409 3.186 20 5 FGBDHN C[C@@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000477924290 501829434 /nfs/dbraw/zinc/82/94/34/501829434.db2.gz YVXKRXWJUGNHDH-OCCSQVGLSA-N 0 3 350.365 3.375 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000470945651 501865071 /nfs/dbraw/zinc/86/50/71/501865071.db2.gz NKFWZRTXOMUNRO-OAHLLOKOSA-N 0 3 371.437 3.244 20 5 FGBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1cccs1 ZINC000596145963 506278717 /nfs/dbraw/zinc/27/87/17/506278717.db2.gz JGBXCWFOQGNNHU-PXAZEXFGSA-N 0 3 374.466 3.250 20 5 FGBDHN NC(=O)c1cc(N[C@@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000596137095 506274905 /nfs/dbraw/zinc/27/49/05/506274905.db2.gz QIJFAONIOKKPKR-SFHVURJKSA-N 0 3 368.437 3.333 20 5 FGBDHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000481791633 501885046 /nfs/dbraw/zinc/88/50/46/501885046.db2.gz FWURHZGGIXVLNM-AEFFLSMTSA-N 0 3 373.840 3.005 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475089671 502052763 /nfs/dbraw/zinc/05/27/63/502052763.db2.gz OEVNWUCUGKMXET-IMJJTQAJSA-N 0 3 362.426 3.157 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(CNCCCc3ccc4c(c3)CCO4)nc2c1 ZINC000482446270 502069994 /nfs/dbraw/zinc/06/99/94/502069994.db2.gz CFQRIQPKCGTPFR-UHFFFAOYSA-N 0 3 352.394 3.128 20 5 FGBDHN CSc1cccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000486228018 502091180 /nfs/dbraw/zinc/09/11/80/502091180.db2.gz PGBCGMVZUWRQSP-CHWSQXEVSA-N 0 3 351.472 3.309 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](O)COc1cccc(C)c1 ZINC000468634707 502132977 /nfs/dbraw/zinc/13/29/77/502132977.db2.gz HIEATFKBTPZJPO-HVRVZBDQSA-N 0 3 356.422 3.336 20 5 FGBDHN COc1cc(CN2C[C@H](O)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804555 502141301 /nfs/dbraw/zinc/14/13/01/502141301.db2.gz MSDSGCHAWFCSDV-KBXCAEBGSA-N 0 3 372.421 3.138 20 5 FGBDHN COc1cccc(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000475368041 502150739 /nfs/dbraw/zinc/15/07/39/502150739.db2.gz ZBKJFCZZLZPEMG-UHFFFAOYSA-N 0 3 351.472 3.377 20 5 FGBDHN CC[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000461755795 502192200 /nfs/dbraw/zinc/19/22/00/502192200.db2.gz BZENSKHKGVIPQD-WBVHZDCISA-N 0 3 351.472 3.289 20 5 FGBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946746 502247512 /nfs/dbraw/zinc/24/75/12/502247512.db2.gz HQXUWXKLBKSSKT-UHFFFAOYSA-N 0 3 374.407 3.360 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1c(C(F)(F)F)cnn1C ZINC000599061247 506302404 /nfs/dbraw/zinc/30/24/04/506302404.db2.gz PEXQBMXTWUVHCX-LLVKDONJSA-N 0 3 356.348 3.458 20 5 FGBDHN CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000465412600 502255368 /nfs/dbraw/zinc/25/53/68/502255368.db2.gz QXHFNXMLOUUIEM-LGFNAOKASA-N 0 3 369.849 3.368 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000475712434 502261034 /nfs/dbraw/zinc/26/10/34/502261034.db2.gz ZNWWAIATJUYWOQ-UONOGXRCSA-N 0 3 350.415 3.157 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599062422 506302999 /nfs/dbraw/zinc/30/29/99/506302999.db2.gz PUNDMJZPFNTMKQ-GASCZTMLSA-N 0 3 358.442 3.444 20 5 FGBDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000472359708 502329377 /nfs/dbraw/zinc/32/93/77/502329377.db2.gz MNNWMSHPYZHEPH-SJORKVTESA-N 0 3 363.458 3.085 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000465819705 502394934 /nfs/dbraw/zinc/39/49/34/502394934.db2.gz RFAGAOPDRNMXLH-LJQANCHMSA-N 0 3 370.453 3.048 20 5 FGBDHN C[C@@H](CN(C)C)NC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000476184323 502406216 /nfs/dbraw/zinc/40/62/16/502406216.db2.gz XKVLVURTDLRYGB-ZDUSSCGKSA-N 0 3 358.398 3.459 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCc1ccccc1)Cc1cccnc1 ZINC000602821486 506313617 /nfs/dbraw/zinc/31/36/17/506313617.db2.gz OTRWPYBTKCMMPC-UHFFFAOYSA-N 0 3 365.437 3.240 20 5 FGBDHN CN1C(=O)c2ccccc2[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599074832 506311740 /nfs/dbraw/zinc/31/17/40/506311740.db2.gz QMRGKOCGRDJWDD-RTBURBONSA-N 0 3 351.406 3.389 20 5 FGBDHN Cc1ccc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000466006426 502451186 /nfs/dbraw/zinc/45/11/86/502451186.db2.gz OZAQQIBCENKDOF-UHFFFAOYSA-N 0 3 368.437 3.124 20 5 FGBDHN COc1cc(NCCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000462828572 502589738 /nfs/dbraw/zinc/58/97/38/502589738.db2.gz OGDHNOCYLWRFJH-UHFFFAOYSA-N 0 3 359.426 3.198 20 5 FGBDHN C[C@@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006505 502597309 /nfs/dbraw/zinc/59/73/09/502597309.db2.gz GGUQAXCNXASSSD-OIPACUDHSA-N 0 3 360.458 3.028 20 5 FGBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470114491 502665114 /nfs/dbraw/zinc/66/51/14/502665114.db2.gz LFUWVEDBHSJVDE-UHFFFAOYSA-N 0 3 372.400 3.304 20 5 FGBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470132028 502671610 /nfs/dbraw/zinc/67/16/10/502671610.db2.gz JVUJZBAPUFMHKP-INIZCTEOSA-N 0 3 360.389 3.028 20 5 FGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000463068798 502681749 /nfs/dbraw/zinc/68/17/49/502681749.db2.gz MMOZYQZNXYIIJA-HNNXBMFYSA-N 0 3 371.466 3.262 20 5 FGBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CC(N2CCCCC2)C1 ZINC000480844739 502686060 /nfs/dbraw/zinc/68/60/60/502686060.db2.gz RCUPDXXJCNJXIR-UHFFFAOYSA-N 0 3 365.405 3.339 20 5 FGBDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480970176 502716622 /nfs/dbraw/zinc/71/66/22/502716622.db2.gz KATOKZRHHLPGAF-UGSOOPFHSA-N 0 3 374.416 3.397 20 5 FGBDHN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000484718921 502719274 /nfs/dbraw/zinc/71/92/74/502719274.db2.gz KICGNAUBCQTTAS-BEFAXECRSA-N 0 3 370.453 3.128 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479941 502727180 /nfs/dbraw/zinc/72/71/80/502727180.db2.gz NUZFAMYNRIRFBP-AUUYWEPGSA-N 0 3 371.412 3.374 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047573 502770280 /nfs/dbraw/zinc/77/02/80/502770280.db2.gz RTWHHNKFJKNVBP-QAPCUYQASA-N 0 3 353.422 3.296 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593014508 506336762 /nfs/dbraw/zinc/33/67/62/506336762.db2.gz ZUCXVJGRYATTLR-MNOVXSKESA-N 0 3 362.304 3.290 20 5 FGBDHN COC(=O)CCC[C@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000513273647 502893822 /nfs/dbraw/zinc/89/38/22/502893822.db2.gz YYOJGSDSMFPUPQ-KGLIPLIRSA-N 0 3 374.441 3.463 20 5 FGBDHN COc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000505596013 502944936 /nfs/dbraw/zinc/94/49/36/502944936.db2.gz IVSWYLHFJNACCK-GUYCJALGSA-N 0 3 357.410 3.025 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000599145961 506344740 /nfs/dbraw/zinc/34/47/40/506344740.db2.gz AYNRMQOSFOFHGT-IBGZPJMESA-N 0 3 374.485 3.186 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000489534033 502980813 /nfs/dbraw/zinc/98/08/13/502980813.db2.gz BCSJWCHBOAAEFG-KRWDZBQOSA-N 0 3 372.425 3.336 20 5 FGBDHN C[C@H]1CCCCN1CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497542755 502983838 /nfs/dbraw/zinc/98/38/38/502983838.db2.gz HUCAMPPTZZQNGB-AWEZNQCLSA-N 0 3 369.487 3.065 20 5 FGBDHN CC(C)(C)C1=CCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000505986683 503025016 /nfs/dbraw/zinc/02/50/16/503025016.db2.gz JBPGGDPNCHTPOS-UHFFFAOYSA-N 0 3 370.453 3.484 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501947297 503113998 /nfs/dbraw/zinc/11/39/98/503113998.db2.gz NBGOWWYHDJFIRM-GDBMZVCRSA-N 0 3 356.426 3.221 20 5 FGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)C ZINC000510528117 503135089 /nfs/dbraw/zinc/13/50/89/503135089.db2.gz ZVXUWSLWOYBOMM-SGTLLEGYSA-N 0 3 374.416 3.046 20 5 FGBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1N(C)C ZINC000502159038 503152518 /nfs/dbraw/zinc/15/25/18/503152518.db2.gz KOZHJCSOOIQRCE-HOTGVXAUSA-N 0 3 358.467 3.139 20 5 FGBDHN C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000490528861 503190107 /nfs/dbraw/zinc/19/01/07/503190107.db2.gz UBMAULHENWBBJF-FQEVSTJZSA-N 0 3 353.422 3.379 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1Cl ZINC000511135990 503266133 /nfs/dbraw/zinc/26/61/33/503266133.db2.gz IGVAIWDQPNEFLV-HNNXBMFYSA-N 0 3 364.829 3.162 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1cnnn1Cc1ccccc1 ZINC000491270645 503292315 /nfs/dbraw/zinc/29/23/15/503292315.db2.gz JJVSZHYUEVSGBT-UHFFFAOYSA-N 0 3 371.828 3.220 20 5 FGBDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502867916 503293586 /nfs/dbraw/zinc/29/35/86/503293586.db2.gz PLNGXMWMQAFPFX-GWCFXTLKSA-N 0 3 370.247 3.464 20 5 FGBDHN CCCC[C@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000492843576 503388187 /nfs/dbraw/zinc/38/81/87/503388187.db2.gz CABGDVXUAQFHFY-QWHCGFSZSA-N 0 3 363.414 3.211 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515744992 503394429 /nfs/dbraw/zinc/39/44/29/503394429.db2.gz WCJCOHFMLZFWHX-IEBWSBKVSA-N 0 3 374.412 3.181 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000516103225 503446180 /nfs/dbraw/zinc/44/61/80/503446180.db2.gz COVJQNMDJOHVEJ-FUHWJXTLSA-N 0 3 373.497 3.496 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000503681592 503457833 /nfs/dbraw/zinc/45/78/33/503457833.db2.gz DIRIEMAOKRQALT-IBGZPJMESA-N 0 3 374.412 3.386 20 5 FGBDHN Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000493998128 503472542 /nfs/dbraw/zinc/47/25/42/503472542.db2.gz BYWPVHRBVBZWBH-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN COC(=O)C[C@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000516890866 503610334 /nfs/dbraw/zinc/61/03/34/503610334.db2.gz TYQFUSJUVMVTPU-FQEVSTJZSA-N 0 3 372.421 3.214 20 5 FGBDHN O=[N+]([O-])c1cc(F)c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(F)c1 ZINC000508978858 503611820 /nfs/dbraw/zinc/61/18/20/503611820.db2.gz RHHFHAQWORDNPA-SGTLLEGYSA-N 0 3 351.397 3.322 20 5 FGBDHN COc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CCC(O)CC1 ZINC000516919614 503619007 /nfs/dbraw/zinc/61/90/07/503619007.db2.gz NDOAOXMWNVPJAO-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)c2c(c1)COCO2 ZINC000500465332 503630686 /nfs/dbraw/zinc/63/06/86/503630686.db2.gz ZTFSVABVJLXUIC-ZIAGYGMSSA-N 0 3 358.341 3.101 20 5 FGBDHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000540067428 503660725 /nfs/dbraw/zinc/66/07/25/503660725.db2.gz ZDWSBPUGVQOEDH-DJJJIMSYSA-N 0 3 360.410 3.478 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000543207016 503679748 /nfs/dbraw/zinc/67/97/48/503679748.db2.gz IFACELQCOANIPQ-GOSISDBHSA-N 0 3 374.412 3.181 20 5 FGBDHN Cc1c(Br)c(N[C@H](C)C2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000543437343 503770237 /nfs/dbraw/zinc/77/02/37/503770237.db2.gz TVXOKABRNORCBK-SNVBAGLBSA-N 0 3 355.236 3.123 20 5 FGBDHN C[C@@H](C[S@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000544168431 504032849 /nfs/dbraw/zinc/03/28/49/504032849.db2.gz CWTUQQHKVYOSTM-VDBVYFBLSA-N 0 3 366.414 3.383 20 5 FGBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000518639248 504034504 /nfs/dbraw/zinc/03/45/04/504034504.db2.gz MXPAYUIXTZIHSZ-MRXNPFEDSA-N 0 3 354.410 3.149 20 5 FGBDHN O=[N+]([O-])c1cccc(/C=C/c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c1 ZINC000547262251 504039838 /nfs/dbraw/zinc/03/98/38/504039838.db2.gz TYPPPYVZOUYUPI-VMFRVMOISA-N 0 3 353.382 3.004 20 5 FGBDHN COc1ccc(CNC[C@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000518826891 504073291 /nfs/dbraw/zinc/07/32/91/504073291.db2.gz FNJOBGNTBWGMMP-CYBMUJFWSA-N 0 3 350.802 3.123 20 5 FGBDHN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000544618538 504193380 /nfs/dbraw/zinc/19/33/80/504193380.db2.gz YCPFZCKGUNGQNP-OAHLLOKOSA-N 0 3 360.389 3.028 20 5 FGBDHN COc1cccc(N2C[C@@H](NC/C=C\c3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000538395927 504233873 /nfs/dbraw/zinc/23/38/73/504233873.db2.gz JJLIWHSPZHIKLZ-WRLNGNIRSA-N 0 3 367.405 3.012 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000538401383 504235429 /nfs/dbraw/zinc/23/54/29/504235429.db2.gz YAIXVPQHWIXPSI-JKSUJKDBSA-N 0 3 363.458 3.051 20 5 FGBDHN NC(=O)[C@@H](CNC/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000541764197 504246929 /nfs/dbraw/zinc/24/69/29/504246929.db2.gz SSOLBLPTLJFMKH-KQQSKNTNSA-N 0 3 373.840 3.195 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000531500560 504328510 /nfs/dbraw/zinc/32/85/10/504328510.db2.gz LDQVNCGWOVSNIG-UHFFFAOYSA-N 0 3 357.410 3.236 20 5 FGBDHN COC(=O)c1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000535416480 504428779 /nfs/dbraw/zinc/42/87/79/504428779.db2.gz NVVQFUPYERCHCS-UHFFFAOYSA-N 0 3 371.393 3.004 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCCN(C)Cc1ccccc1 ZINC000548750714 504552113 /nfs/dbraw/zinc/55/21/13/504552113.db2.gz OAQVSJFYHISTQY-UHFFFAOYSA-N 0 3 371.437 3.245 20 5 FGBDHN COCC[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536034203 504613166 /nfs/dbraw/zinc/61/31/66/504613166.db2.gz BLATXJIVAASRMS-AEFFLSMTSA-N 0 3 356.426 3.254 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000542820197 504624619 /nfs/dbraw/zinc/62/46/19/504624619.db2.gz MUYXKOVDFJEVEW-UONOGXRCSA-N 0 3 360.410 3.456 20 5 FGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000539671312 504646132 /nfs/dbraw/zinc/64/61/32/504646132.db2.gz GUEAGODDUWZAMB-AWEZNQCLSA-N 0 3 351.472 3.311 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000521108507 504651783 /nfs/dbraw/zinc/65/17/83/504651783.db2.gz KFXDOCAMGXDPRL-UHFFFAOYSA-N 0 3 351.472 3.265 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3C3CCOCC3)o2)cc1 ZINC000539728050 504666953 /nfs/dbraw/zinc/66/69/53/504666953.db2.gz JQXFJFIRXRXXCW-MRXNPFEDSA-N 0 3 358.398 3.036 20 5 FGBDHN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC000532666976 504730463 /nfs/dbraw/zinc/73/04/63/504730463.db2.gz QYHMZZKHAPNILU-UHFFFAOYSA-N 0 3 370.247 3.416 20 5 FGBDHN CN(C)C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549245622 504736582 /nfs/dbraw/zinc/73/65/82/504736582.db2.gz TWIQOSKOIBHPSY-QGZVFWFLSA-N 0 3 361.829 3.210 20 5 FGBDHN CN(C)CCOc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000536480119 504745668 /nfs/dbraw/zinc/74/56/68/504745668.db2.gz HEEODSDEIJNJKI-UHFFFAOYSA-N 0 3 368.393 3.269 20 5 FGBDHN COCCO[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000559072750 504775258 /nfs/dbraw/zinc/77/52/58/504775258.db2.gz ROPDYECVPOZZFN-OAHLLOKOSA-N 0 3 360.410 3.482 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccccc1CN1CCOCC1 ZINC000565214216 504826747 /nfs/dbraw/zinc/82/67/47/504826747.db2.gz CWNCXCYNPHDEDP-FQEVSTJZSA-N 0 3 367.449 3.204 20 5 FGBDHN CCOc1cc(N2CCN(CCC3(OC)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000549613867 504860154 /nfs/dbraw/zinc/86/01/54/504860154.db2.gz TVXMRMGDPAVAKN-UHFFFAOYSA-N 0 3 363.458 3.075 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000553486177 504929703 /nfs/dbraw/zinc/92/97/03/504929703.db2.gz AYAILSJOHOSRQB-UHFFFAOYSA-N 0 3 363.458 3.250 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556920150 505017768 /nfs/dbraw/zinc/01/77/68/505017768.db2.gz FAWLWTAROAZYTD-STQMWFEESA-N 0 3 372.512 3.021 20 5 FGBDHN CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000560285697 505039069 /nfs/dbraw/zinc/03/90/69/505039069.db2.gz ZADWMXSARJMWCQ-OEMHODTASA-N 0 3 351.450 3.467 20 5 FGBDHN O=C(CCNC1(c2ccccc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000563197510 505073086 /nfs/dbraw/zinc/07/30/86/505073086.db2.gz DZJLDPRRMXHOSV-UHFFFAOYSA-N 0 3 369.421 3.219 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)C2(CCCCC2)C1 ZINC000563364554 505121873 /nfs/dbraw/zinc/12/18/73/505121873.db2.gz PODPBVWXAYQSIX-UHFFFAOYSA-N 0 3 374.485 3.182 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000566747734 505262987 /nfs/dbraw/zinc/26/29/87/505262987.db2.gz JGLIINOBVDYDAM-WSTZPKSXSA-N 0 3 356.397 3.477 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000566747733 505263503 /nfs/dbraw/zinc/26/35/03/505263503.db2.gz JGLIINOBVDYDAM-HBFSDRIKSA-N 0 3 356.397 3.477 20 5 FGBDHN CN(CCNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000561261941 505297540 /nfs/dbraw/zinc/29/75/40/505297540.db2.gz BLJHGHDUHXZRQP-UHFFFAOYSA-N 0 3 361.402 3.283 20 5 FGBDHN O=C1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1c1ccccc1 ZINC000558068935 505300577 /nfs/dbraw/zinc/30/05/77/505300577.db2.gz GTPYPGTUZVEXIW-IEBWSBKVSA-N 0 3 365.433 3.311 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000561329430 505316196 /nfs/dbraw/zinc/31/61/96/505316196.db2.gz XCNVDAGDFVFKJY-DYVFJYSZSA-N 0 3 362.401 3.387 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1 ZINC000555010808 505327740 /nfs/dbraw/zinc/32/77/40/505327740.db2.gz JBPZUIUFUNCMNJ-HNNXBMFYSA-N 0 3 363.458 3.234 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000558181785 505328938 /nfs/dbraw/zinc/32/89/38/505328938.db2.gz NIQJSBYBLZNHTM-FQEVSTJZSA-N 0 3 374.412 3.040 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCSc3ccccc32)c1 ZINC000551999837 505366764 /nfs/dbraw/zinc/36/67/64/505366764.db2.gz QVYZMRIUZNOUGR-YOEHRIQHSA-N 0 3 360.435 3.161 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552049087 505381836 /nfs/dbraw/zinc/38/18/36/505381836.db2.gz KYFYRUCSSBKOTN-JTDSTZFVSA-N 0 3 371.485 3.270 20 5 FGBDHN CCN(Cc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1)C1CC1 ZINC000561792913 505437704 /nfs/dbraw/zinc/43/77/04/505437704.db2.gz RIAJQOIRMQPGNG-UHFFFAOYSA-N 0 3 354.410 3.251 20 5 FGBDHN CCc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000567420340 505457253 /nfs/dbraw/zinc/45/72/53/505457253.db2.gz KZHMNVVIVGBZBZ-QGZVFWFLSA-N 0 3 359.401 3.329 20 5 FGBDHN COc1ccc(CN2CC[C@@](C)(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552326457 505460976 /nfs/dbraw/zinc/46/09/76/505460976.db2.gz RXUFQBMHYJNEHM-HXUWFJFHSA-N 0 3 372.421 3.139 20 5 FGBDHN O=C(CCNC1(c2ccccc2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000564782666 505518715 /nfs/dbraw/zinc/51/87/15/505518715.db2.gz VWVYBSUQWSJJBE-UHFFFAOYSA-N 0 3 369.421 3.219 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1NCC1CCN(Cc3ccncc3)CC1)CCN2 ZINC000596437071 506403686 /nfs/dbraw/zinc/40/36/86/506403686.db2.gz RDWZOXRXMRNDRF-UHFFFAOYSA-N 0 3 367.453 3.282 20 5 FGBDHN COc1cc(NCC2CCN(Cc3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596441091 506405860 /nfs/dbraw/zinc/40/58/60/506405860.db2.gz MXQMIPHJJHMSFQ-UHFFFAOYSA-N 0 3 374.416 3.462 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC(F)(F)CC1 ZINC000599551761 506495981 /nfs/dbraw/zinc/49/59/81/506495981.db2.gz AZSVDIHQNMSISL-UHFFFAOYSA-N 0 3 357.357 3.053 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596656766 506514334 /nfs/dbraw/zinc/51/43/34/506514334.db2.gz FQLDSKWIARKLBA-INIZCTEOSA-N 0 3 360.458 3.142 20 5 FGBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603458520 506519908 /nfs/dbraw/zinc/51/99/08/506519908.db2.gz OGSYXLHIEFCHBV-DOTOQJQBSA-N 0 3 374.485 3.045 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000599626896 506539253 /nfs/dbraw/zinc/53/92/53/506539253.db2.gz XQMQRPDFRPYRBL-UHFFFAOYSA-N 0 3 370.409 3.134 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612446021 506582328 /nfs/dbraw/zinc/58/23/28/506582328.db2.gz MKBJPBMIHXQVKZ-INIZCTEOSA-N 0 3 363.421 3.249 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000593421980 506611918 /nfs/dbraw/zinc/61/19/18/506611918.db2.gz FOLHJVYWHPMNQN-SFHVURJKSA-N 0 3 359.401 3.004 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000593421978 506612325 /nfs/dbraw/zinc/61/23/25/506612325.db2.gz FOLHJVYWHPMNQN-GOSISDBHSA-N 0 3 359.401 3.004 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593495801 506653070 /nfs/dbraw/zinc/65/30/70/506653070.db2.gz JGNXVSHILOTLDR-UXHICEINSA-N 0 3 371.412 3.214 20 5 FGBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CCN(CC)C1 ZINC000599834103 506666374 /nfs/dbraw/zinc/66/63/74/506666374.db2.gz FTUOBQMULSGRJR-CYBMUJFWSA-N 0 3 357.414 3.091 20 5 FGBDHN CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(C)CC1 ZINC000599985557 506736802 /nfs/dbraw/zinc/73/68/02/506736802.db2.gz FWDMMKIHXXFULN-UHFFFAOYSA-N 0 3 374.466 3.275 20 5 FGBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000593708321 506743402 /nfs/dbraw/zinc/74/34/02/506743402.db2.gz SNLDEDOTKGQALN-RDTXWAMCSA-N 0 3 371.412 3.056 20 5 FGBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000604403221 506819855 /nfs/dbraw/zinc/81/98/55/506819855.db2.gz WMEQFPRPNSFIRJ-GJZGRUSLSA-N 0 3 353.422 3.093 20 5 FGBDHN COc1cc(CNC[C@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000597207094 506835770 /nfs/dbraw/zinc/83/57/70/506835770.db2.gz BLRYMGQQBLCGTJ-AWEZNQCLSA-N 0 3 366.311 3.382 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600227458 506859751 /nfs/dbraw/zinc/85/97/51/506859751.db2.gz CODSQFDLWKMUER-OAHLLOKOSA-N 0 3 356.426 3.213 20 5 FGBDHN NC(=O)c1cccc(CN(CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000590747011 506936264 /nfs/dbraw/zinc/93/62/64/506936264.db2.gz NNKDUDZEOZPROA-UHFFFAOYSA-N 0 3 369.421 3.127 20 5 FGBDHN COc1ccc2[nH]cc(CC[NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])c2c1 ZINC000609600523 506940108 /nfs/dbraw/zinc/94/01/08/506940108.db2.gz IOKPDNLLQXDSLK-UHFFFAOYSA-N 0 3 371.393 3.131 20 5 FGBDHN CC[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609625708 506952632 /nfs/dbraw/zinc/95/26/32/506952632.db2.gz QCLWXLIVNCUZBT-YLJYHZDGSA-N 0 3 356.422 3.344 20 5 FGBDHN O=C([C@H]1CCN(Cc2ccccc2)C1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594295840 507066978 /nfs/dbraw/zinc/06/69/78/507066978.db2.gz XAQMIILJCUBDJD-SFHVURJKSA-N 0 3 365.433 3.396 20 5 FGBDHN O=C(CCN1CCC[C@@H]1c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591017551 507078518 /nfs/dbraw/zinc/07/85/18/507078518.db2.gz VUPJVKSRFUZWJV-GOSISDBHSA-N 0 3 355.394 3.466 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2ccccc2NC1=O ZINC000594510311 507160946 /nfs/dbraw/zinc/16/09/46/507160946.db2.gz IFVOAUSNOWWGQD-RDTXWAMCSA-N 0 3 353.422 3.459 20 5 FGBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000597924392 507177655 /nfs/dbraw/zinc/17/76/55/507177655.db2.gz QMYLUIMNKFCKOV-NSHDSACASA-N 0 3 359.348 3.216 20 5 FGBDHN COc1cc(CNCC2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])cc1OC ZINC000601155101 507280981 /nfs/dbraw/zinc/28/09/81/507280981.db2.gz DDJSAEMTZLILPZ-GOSISDBHSA-N 0 3 364.442 3.441 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CCN(CC2CC2)C1 ZINC000613860817 507283610 /nfs/dbraw/zinc/28/36/10/507283610.db2.gz HAHAVVRQZFVRRX-LBPRGKRZSA-N 0 3 372.347 3.219 20 5 FGBDHN COc1ccc(CN2CC[C@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610543129 507284669 /nfs/dbraw/zinc/28/46/69/507284669.db2.gz MZSPYAJRAFSTQC-SFHVURJKSA-N 0 3 355.438 3.310 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598195616 507307193 /nfs/dbraw/zinc/30/71/93/507307193.db2.gz PQXPEHSLKPWTSW-LJQANCHMSA-N 0 3 367.449 3.292 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598196118 507308008 /nfs/dbraw/zinc/30/80/08/507308008.db2.gz ZQWIGOKILWONOM-SFHVURJKSA-N 0 3 367.449 3.292 20 5 FGBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000594968948 507336151 /nfs/dbraw/zinc/33/61/51/507336151.db2.gz XXGUHJFBCAPKGN-JZXOWHBKSA-N 0 3 350.459 3.374 20 5 FGBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000594968949 507336263 /nfs/dbraw/zinc/33/62/63/507336263.db2.gz XXGUHJFBCAPKGN-LZLYRXPVSA-N 0 3 350.459 3.374 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccccc2OC2CCC2)c1 ZINC000591740830 507344075 /nfs/dbraw/zinc/34/40/75/507344075.db2.gz QNCFTCQNKIACFL-QGZVFWFLSA-N 0 3 372.421 3.056 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598260759 507347593 /nfs/dbraw/zinc/34/75/93/507347593.db2.gz NCZXIGQDHSWDKS-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598261925 507349183 /nfs/dbraw/zinc/34/91/83/507349183.db2.gz IPYKSYXUGCINSJ-ZIAGYGMSSA-N 0 3 351.422 3.074 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(c2ccccn2)CC1 ZINC000595005634 507350868 /nfs/dbraw/zinc/35/08/68/507350868.db2.gz BVBYOPBQBNNUJV-AWEZNQCLSA-N 0 3 356.426 3.318 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000595018521 507356544 /nfs/dbraw/zinc/35/65/44/507356544.db2.gz QZGZSGUXCHCMQV-DZGCQCFKSA-N 0 3 362.401 3.244 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000595018523 507356944 /nfs/dbraw/zinc/35/69/44/507356944.db2.gz QZGZSGUXCHCMQV-UKRRQHHQSA-N 0 3 362.401 3.244 20 5 FGBDHN CCC[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595104440 507394460 /nfs/dbraw/zinc/39/44/60/507394460.db2.gz QKVFJJFHGGTNOZ-MSOLQXFVSA-N 0 3 360.458 3.316 20 5 FGBDHN C[C@@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595234547 507435435 /nfs/dbraw/zinc/43/54/35/507435435.db2.gz LESSSJPBBBJQFG-ACJLOTCBSA-N 0 3 370.409 3.138 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258841 507443191 /nfs/dbraw/zinc/44/31/91/507443191.db2.gz XLGRANGVROSEEB-GOSISDBHSA-N 0 3 355.394 3.125 20 5 FGBDHN Cc1c(CC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610971057 507459633 /nfs/dbraw/zinc/45/96/33/507459633.db2.gz JDPNGERURJMSDS-LJQANCHMSA-N 0 3 367.449 3.179 20 5 FGBDHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171052 507546018 /nfs/dbraw/zinc/54/60/18/507546018.db2.gz OHMADPDTJOLCGE-KBXCAEBGSA-N 0 3 356.426 3.308 20 5 FGBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCN(C2CCCC2)CC1 ZINC000611196196 507557024 /nfs/dbraw/zinc/55/70/24/507557024.db2.gz HTXVSENAKAXAQS-UHFFFAOYSA-N 0 3 356.426 3.167 20 5 FGBDHN Cc1cc(OC[C@H](O)CN(C)Cc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000585819138 507646976 /nfs/dbraw/zinc/64/69/76/507646976.db2.gz GMTHACNHJCPMDO-OAHLLOKOSA-N 0 3 364.829 3.428 20 5 FGBDHN O=C(NCc1ccccc1)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592523138 507693405 /nfs/dbraw/zinc/69/34/05/507693405.db2.gz KAXRTIXTMQCGQP-FUKWUPMWSA-N 0 3 365.433 3.246 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592523795 507695024 /nfs/dbraw/zinc/69/50/24/507695024.db2.gz QIWNKGGLRFNYPZ-SFHVURJKSA-N 0 3 353.422 3.042 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)C1CCC(F)CC1 ZINC000595817687 507698313 /nfs/dbraw/zinc/69/83/13/507698313.db2.gz AYEIKSNNHGJWSE-PNESKVBLSA-N 0 3 353.394 3.048 20 5 FGBDHN CCn1cnnc1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611520934 507719476 /nfs/dbraw/zinc/71/94/76/507719476.db2.gz SWJHSGRZIVOJJT-IBGZPJMESA-N 0 3 351.410 3.128 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc2c(s1)CCNC2 ZINC000595928600 507748026 /nfs/dbraw/zinc/74/80/26/507748026.db2.gz MIIKFRIXPGNITP-UHFFFAOYSA-N 0 3 359.451 3.353 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)c1cccc(Br)c1 ZINC000050015755 695898235 /nfs/dbraw/zinc/89/82/35/695898235.db2.gz JOXMXWGSCAVKRK-HNNXBMFYSA-N 0 3 351.200 3.181 20 5 FGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000779152803 724395937 /nfs/dbraw/zinc/39/59/37/724395937.db2.gz GNOPTGUDWJMHGC-DOMZBBRYSA-N 0 3 357.248 3.340 20 5 FGBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000804852998 724558020 /nfs/dbraw/zinc/55/80/20/724558020.db2.gz QZYHEBMULNDZMG-FZMZJTMJSA-N 0 3 354.248 3.420 20 5 FGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC(F)(F)F ZINC000782483704 724674185 /nfs/dbraw/zinc/67/41/85/724674185.db2.gz QDJZLTHCGCLMHK-UHFFFAOYSA-N 0 3 351.300 3.337 20 5 FGBDHN Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597526 724770418 /nfs/dbraw/zinc/77/04/18/724770418.db2.gz MSRXZPUFTDZRAM-HNNXBMFYSA-N 0 3 364.829 3.395 20 5 FGBDHN CC(C)(C)C(=O)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740004223 722534724 /nfs/dbraw/zinc/53/47/24/722534724.db2.gz KCPITGXFXYOYPL-UHFFFAOYSA-N 0 3 353.850 3.375 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1ccccc1 ZINC000749875192 722745946 /nfs/dbraw/zinc/74/59/46/722745946.db2.gz SVOKAKSKEHBUIP-CQSZACIVSA-N 0 3 361.829 3.151 20 5 FGBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)CC1 ZINC000757256140 722975645 /nfs/dbraw/zinc/97/56/45/722975645.db2.gz LKODJRVIRPYYBG-UHFFFAOYSA-N 0 3 366.849 3.018 20 5 FGBDHN CCOC(=O)N[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000761527959 723162708 /nfs/dbraw/zinc/16/27/08/723162708.db2.gz VBEAGCFTMNYSNZ-ZDUSSCGKSA-N 0 3 357.838 3.499 20 5 FGBDHN Cc1c(CN[C@@H](C)CC(=O)Nc2cccnc2Cl)cccc1[N+](=O)[O-] ZINC000790696482 723168017 /nfs/dbraw/zinc/16/80/17/723168017.db2.gz SONFBFONWXJXKS-NSHDSACASA-N 0 3 362.817 3.459 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000774475464 723898579 /nfs/dbraw/zinc/89/85/79/723898579.db2.gz GTFIAMUSRCQWTC-UKRRQHHQSA-N 0 3 350.415 3.330 20 5 FGBDHN COc1ccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000785616948 724926090 /nfs/dbraw/zinc/92/60/90/724926090.db2.gz YSEUVZQICRJAJR-OAHLLOKOSA-N 0 3 354.765 3.219 20 5 FGBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000807786958 725169505 /nfs/dbraw/zinc/16/95/05/725169505.db2.gz MZUOTUUHARUWSE-OAHLLOKOSA-N 0 3 365.792 3.420 20 5 FGBDHN COC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000808800317 725218215 /nfs/dbraw/zinc/21/82/15/725218215.db2.gz ZYFDPLLJABDUKM-IAGOWNOFSA-N 0 3 350.802 3.259 20 5 FGBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000810508319 725311513 /nfs/dbraw/zinc/31/15/13/725311513.db2.gz BNIDFFSMNSJVLA-INIZCTEOSA-N 0 3 357.813 3.077 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000811487623 725368725 /nfs/dbraw/zinc/36/87/25/725368725.db2.gz YQDIASJDDCZHFV-DOMZBBRYSA-N 0 3 361.225 3.329 20 5 FGBDHN CC(C)Oc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813102505 726839000 /nfs/dbraw/zinc/83/90/00/726839000.db2.gz GTYKMRYRGPLMHM-NSHDSACASA-N 0 3 350.396 3.419 20 5 FGBDHN CC(COC(=O)CN(Cc1ccco1)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813100926 726839096 /nfs/dbraw/zinc/83/90/96/726839096.db2.gz YKBOZDMUPVZQNU-GFCCVEGCSA-N 0 3 352.774 3.148 20 5 FGBDHN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106665 726839198 /nfs/dbraw/zinc/83/91/98/726839198.db2.gz GFQYLFZZUBZZQP-MRVPVSSYSA-N 0 3 358.272 3.491 20 5 FGBDHN O=[N+]([O-])c1c(Br)cccc1N1CCN(C2CCCC2)CC1 ZINC000820619685 729011210 /nfs/dbraw/zinc/01/12/10/729011210.db2.gz XXKGEUIIINHKCZ-UHFFFAOYSA-N 0 3 354.248 3.422 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820628857 729012059 /nfs/dbraw/zinc/01/20/59/729012059.db2.gz CZNDWTKVYIQNIN-GFCCVEGCSA-N 0 3 358.845 3.073 20 5 FGBDHN CC[C@](C)(CC(=O)OC)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000822766428 729218410 /nfs/dbraw/zinc/21/84/10/729218410.db2.gz RJRZGHBEKKBXCV-CQSZACIVSA-N 0 3 359.220 3.179 20 5 FGBDHN Cc1cc(Cl)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000825764912 729394646 /nfs/dbraw/zinc/39/46/46/729394646.db2.gz QARRBQSLSUPUEM-CYBMUJFWSA-N 0 3 351.834 3.257 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Cl ZINC000836649208 729963776 /nfs/dbraw/zinc/96/37/76/729963776.db2.gz KKADMJQXBHNEHT-CYBMUJFWSA-N 0 3 351.834 3.257 20 5 FGBDHN CC(COC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000842364212 730490210 /nfs/dbraw/zinc/49/02/10/730490210.db2.gz UHRAOWINPUATTH-NEPJUHHUSA-N 0 3 352.387 3.094 20 5 FGBDHN CC([C@@H](OC(=O)CSc1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873881 730904957 /nfs/dbraw/zinc/90/49/57/730904957.db2.gz XKPCBXZGPGWGQM-BDJLRTHQSA-N 0 3 350.371 3.263 20 5 FGBDHN CC([C@@H](OC(=O)C(F)(F)C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875680 730905060 /nfs/dbraw/zinc/90/50/60/730905060.db2.gz BDVHOEQOLGOYFQ-IINYFYTJSA-N 0 3 361.316 3.137 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000847255699 731041086 /nfs/dbraw/zinc/04/10/86/731041086.db2.gz UVRVRMWFNSDTRB-HUUCEWRRSA-N 0 3 351.834 3.303 20 5 FGBDHN CC(C)c1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850349248 731346225 /nfs/dbraw/zinc/34/62/25/731346225.db2.gz BFUHGMFPJFYRHD-HSZRJFAPSA-N 0 3 352.378 3.119 20 5 FGBDHN CCC[C@@H](NCC[S@](=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850491815 731363021 /nfs/dbraw/zinc/36/30/21/731363021.db2.gz QWHUNNIKESPVRE-ZLOXQWCVSA-N 0 3 352.378 3.337 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2c(s1)CCNC2 ZINC000852787843 731635714 /nfs/dbraw/zinc/63/57/14/731635714.db2.gz XCJFFNDYTNWJOI-UHFFFAOYSA-N 0 3 365.842 3.228 20 5 FGBDHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000862536596 732846083 /nfs/dbraw/zinc/84/60/83/732846083.db2.gz PSLIDHYZADRXRQ-UHFFFAOYSA-N 0 3 367.877 3.325 20 5 FGBDHN CN1CCN(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000866213811 733325448 /nfs/dbraw/zinc/32/54/48/733325448.db2.gz ZCYZLKHFIRIGLV-UHFFFAOYSA-N 0 3 373.284 3.118 20 5 FGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454654 733854357 /nfs/dbraw/zinc/85/43/57/733854357.db2.gz MJFUEBCPHIRGGY-ZYIUAKIQSA-N 0 3 351.374 3.138 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000872217380 735604113 /nfs/dbraw/zinc/60/41/13/735604113.db2.gz URTUMTSTLRYHDI-IAGOWNOFSA-N 0 3 368.792 3.134 20 5 FGBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000883219138 737537385 /nfs/dbraw/zinc/53/73/85/737537385.db2.gz MUWIVINREHQJNY-DOMZBBRYSA-N 0 3 362.348 3.145 20 5 FGBDHN COC[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886915490 739314653 /nfs/dbraw/zinc/31/46/53/739314653.db2.gz FJOMRYKZYBYYIY-HZMBPMFUSA-N 0 3 363.241 3.433 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCN(CC(F)(F)F)C1 ZINC000892613321 740023135 /nfs/dbraw/zinc/02/31/35/740023135.db2.gz LCLJFZHEQXBFCB-SNVBAGLBSA-N 0 3 351.756 3.222 20 5 FGBDHN CN(C)CCOc1cccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000577027880 505648095 /nfs/dbraw/zinc/64/80/95/505648095.db2.gz CSQNZUHUWHEIKP-ROUUACIJSA-N 0 3 373.457 3.328 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cn2cncn2)cc1 ZINC000580011559 505661210 /nfs/dbraw/zinc/66/12/10/505661210.db2.gz KKXFYKFFOBBAGO-SXGWCWSVSA-N 0 3 363.421 3.428 20 5 FGBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000081289342 493860655 /nfs/dbraw/zinc/86/06/55/493860655.db2.gz FJZOLOFNGQIIFR-ZDUSSCGKSA-N 0 3 351.834 3.243 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCCC1 ZINC000030001387 493872904 /nfs/dbraw/zinc/87/29/04/493872904.db2.gz FTBZOWIDPKIYPS-AWEZNQCLSA-N 0 3 351.472 3.068 20 5 FGBDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000059744544 493908710 /nfs/dbraw/zinc/90/87/10/493908710.db2.gz KZIYBOAVCOZBAA-ICSRJNTNSA-N 0 3 356.422 3.480 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCN1C(=O)c2ccccc2C1=O ZINC000050508167 493919297 /nfs/dbraw/zinc/91/92/97/493919297.db2.gz IPELQEXLXIQRND-AWEZNQCLSA-N 0 3 367.405 3.274 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000568435229 505693839 /nfs/dbraw/zinc/69/38/39/505693839.db2.gz JQSZBJKVNCDNPR-UHFFFAOYSA-N 0 3 372.473 3.314 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000062231606 494006956 /nfs/dbraw/zinc/00/69/56/494006956.db2.gz UVDDDSZGTJVQTA-QGZVFWFLSA-N 0 3 353.422 3.237 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](OCCC(C)C)C1 ZINC000083246800 494014404 /nfs/dbraw/zinc/01/44/04/494014404.db2.gz XOWYSDHMSDBABG-QGZVFWFLSA-N 0 3 363.458 3.369 20 5 FGBDHN O=[N+]([O-])c1cccnc1NCCCCN1CCN(c2ccccc2)CC1 ZINC000052445764 494026268 /nfs/dbraw/zinc/02/62/68/494026268.db2.gz MJZRHRUTOYOBSW-UHFFFAOYSA-N 0 3 355.442 3.004 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000070892762 494065810 /nfs/dbraw/zinc/06/58/10/494065810.db2.gz PBQSOBOVWOYMKS-HOCLYGCPSA-N 0 3 357.410 3.485 20 5 FGBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000577291261 505701523 /nfs/dbraw/zinc/70/15/23/505701523.db2.gz DSJAABAETUNIOS-SFHVURJKSA-N 0 3 371.485 3.468 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000072064405 494122806 /nfs/dbraw/zinc/12/28/06/494122806.db2.gz CDIMIOOGYYZJGG-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088393496 494234598 /nfs/dbraw/zinc/23/45/98/494234598.db2.gz ULTORTVALYMUSX-UHFFFAOYSA-N 0 3 360.414 3.400 20 5 FGBDHN O=C(c1ccc(CN2CCCC2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149241 494242224 /nfs/dbraw/zinc/24/22/24/494242224.db2.gz KKBSDFKDFCGXPO-UHFFFAOYSA-N 0 3 351.406 3.394 20 5 FGBDHN CC[C@H](C)N(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000066126733 494277974 /nfs/dbraw/zinc/27/79/74/494277974.db2.gz IDAAHKBUCGDUCX-INIZCTEOSA-N 0 3 365.477 3.001 20 5 FGBDHN CC[C@@H](C)N(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000066126732 494278445 /nfs/dbraw/zinc/27/84/45/494278445.db2.gz IDAAHKBUCGDUCX-MRXNPFEDSA-N 0 3 365.477 3.001 20 5 FGBDHN COC(=O)COc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000089730428 494349387 /nfs/dbraw/zinc/34/93/87/494349387.db2.gz NWLTVMCEACGNJP-CQSZACIVSA-N 0 3 358.394 3.306 20 5 FGBDHN COc1cc(CN(CCOc2ccccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000089975231 494418676 /nfs/dbraw/zinc/41/86/76/494418676.db2.gz JIXWGNYDJAJEJT-UHFFFAOYSA-N 0 3 358.394 3.352 20 5 FGBDHN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000577410146 505722023 /nfs/dbraw/zinc/72/20/23/505722023.db2.gz DNYVJMSDDHDKIB-UGSOOPFHSA-N 0 3 359.401 3.257 20 5 FGBDHN Cc1ccc([C@@H](C)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000090937969 494504298 /nfs/dbraw/zinc/50/42/98/494504298.db2.gz DAMHQMIYFKYULW-HUUCEWRRSA-N 0 3 366.421 3.352 20 5 FGBDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090938095 494505984 /nfs/dbraw/zinc/50/59/84/494505984.db2.gz QKZRHNPABNHUHI-KBPBESRZSA-N 0 3 352.394 3.044 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000056465504 494511457 /nfs/dbraw/zinc/51/14/57/494511457.db2.gz WQXCFCSICAAJIK-IBGZPJMESA-N 0 3 370.453 3.477 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000574233598 505726173 /nfs/dbraw/zinc/72/61/73/505726173.db2.gz ZWHOIUSCGBNUOR-MAUKXSAKSA-N 0 3 353.422 3.296 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000067531732 494559787 /nfs/dbraw/zinc/55/97/87/494559787.db2.gz UNCDGNPKQUMTJU-LJQANCHMSA-N 0 3 370.453 3.048 20 5 FGBDHN COc1ccc(CN2CCC[C@@H]2CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092471094 494638476 /nfs/dbraw/zinc/63/84/76/494638476.db2.gz IOGGAKNTKOMJIM-GOSISDBHSA-N 0 3 372.421 3.139 20 5 FGBDHN C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000080231149 494645213 /nfs/dbraw/zinc/64/52/13/494645213.db2.gz RBEPGALKTVKBDK-YOEHRIQHSA-N 0 3 368.437 3.159 20 5 FGBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000092516707 494655131 /nfs/dbraw/zinc/65/51/31/494655131.db2.gz RAOYEHSPBIVTAT-UHFFFAOYSA-N 0 3 368.437 3.369 20 5 FGBDHN CCc1nn(C)c(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000091733444 494660347 /nfs/dbraw/zinc/66/03/47/494660347.db2.gz CLCFYTQYTOELPS-WMLDXEAASA-N 0 3 357.458 3.213 20 5 FGBDHN CCOC(=O)c1cc(C(=O)Nc2ccccc2CN(C)C)cc([N+](=O)[O-])c1 ZINC000024812564 494667982 /nfs/dbraw/zinc/66/79/82/494667982.db2.gz XHZNZKODQGUUBF-UHFFFAOYSA-N 0 3 371.393 3.085 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1cccn1C ZINC000067961116 494710908 /nfs/dbraw/zinc/71/09/08/494710908.db2.gz JFJHQADVJNBNLA-GOSISDBHSA-N 0 3 356.426 3.407 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000075684839 494816733 /nfs/dbraw/zinc/81/67/33/494816733.db2.gz QEWAAKDPGAVVAI-ZACQAIPSSA-N 0 3 361.486 3.477 20 5 FGBDHN Cc1ccnc([C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000568644221 505744341 /nfs/dbraw/zinc/74/43/41/505744341.db2.gz BTIBICWGSMMHJX-MRXNPFEDSA-N 0 3 368.437 3.425 20 5 FGBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)c(OC)c1 ZINC000132223832 494841457 /nfs/dbraw/zinc/84/14/57/494841457.db2.gz CIVPZVLLKQSJPF-UHFFFAOYSA-N 0 3 362.430 3.109 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000109505570 494882985 /nfs/dbraw/zinc/88/29/85/494882985.db2.gz QEXILXFGOWLFFD-HXUWFJFHSA-N 0 3 367.449 3.399 20 5 FGBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000117333682 494911863 /nfs/dbraw/zinc/91/18/63/494911863.db2.gz AZKRTRIKAIYOHX-UHFFFAOYSA-N 0 3 359.357 3.164 20 5 FGBDHN C[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000127484292 494951546 /nfs/dbraw/zinc/95/15/46/494951546.db2.gz FQDXMYQHAUMIEZ-OAHLLOKOSA-N 0 3 362.451 3.251 20 5 FGBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000110348445 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C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171643341 495962267 /nfs/dbraw/zinc/96/22/67/495962267.db2.gz MFSWNWXKTQVHHJ-MAUKXSAKSA-N 0 3 360.458 3.316 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000183587747 496039546 /nfs/dbraw/zinc/03/95/46/496039546.db2.gz VWEGANYWVIQBDG-AWEZNQCLSA-N 0 3 363.443 3.256 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000171968155 496112574 /nfs/dbraw/zinc/11/25/74/496112574.db2.gz XJHGPUYRBFKRIW-AWEZNQCLSA-N 0 3 371.462 3.428 20 5 FGBDHN CCOCCO[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180789578 496146947 /nfs/dbraw/zinc/14/69/47/496146947.db2.gz USCFQQAWXGZTIZ-KRWDZBQOSA-N 0 3 360.410 3.482 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000186996841 496245202 /nfs/dbraw/zinc/24/52/02/496245202.db2.gz JRRGYOPGTZEXSP-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN CCOc1cc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000181144352 496286331 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Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000172730582 496406602 /nfs/dbraw/zinc/40/66/02/496406602.db2.gz HKFHGXQVTDOKQE-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000153403355 496444590 /nfs/dbraw/zinc/44/45/90/496444590.db2.gz JVZMWAKLGHFVGX-WCQYABFASA-N 0 3 361.364 3.281 20 5 FGBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000181570364 496451261 /nfs/dbraw/zinc/45/12/61/496451261.db2.gz YTUVXZQRRWECIH-RDJZCZTQSA-N 0 3 374.437 3.426 20 5 FGBDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000175702164 496507300 /nfs/dbraw/zinc/50/73/00/496507300.db2.gz LPXYMTAXAXJMEC-UHFFFAOYSA-N 0 3 367.449 3.260 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H](O)COCc2ccccc2F)cc1[N+](=O)[O-] ZINC000181835987 496566410 /nfs/dbraw/zinc/56/64/10/496566410.db2.gz NGVIOYUUGMGSGD-WMLDXEAASA-N 0 3 362.401 3.271 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000181842365 496568453 /nfs/dbraw/zinc/56/84/53/496568453.db2.gz UQAOUEXFNZDRCV-HOCLYGCPSA-N 0 3 369.421 3.475 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000184998325 496616875 /nfs/dbraw/zinc/61/68/75/496616875.db2.gz VEMZCFOXLBEZLM-KRWDZBQOSA-N 0 3 369.446 3.392 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1ccncc1 ZINC000153904639 496618927 /nfs/dbraw/zinc/61/89/27/496618927.db2.gz BSGWDKJKQBXIIR-MRXNPFEDSA-N 0 3 368.393 3.125 20 5 FGBDHN CN(C)Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000153949364 496633278 /nfs/dbraw/zinc/63/32/78/496633278.db2.gz UNDURRXJLYHKKZ-UHFFFAOYSA-N 0 3 353.422 3.461 20 5 FGBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1COc2ccccc21 ZINC000179006108 496642848 /nfs/dbraw/zinc/64/28/48/496642848.db2.gz BHWJVOHTXYBTEN-SJCJKPOMSA-N 0 3 356.378 3.116 20 5 FGBDHN CC(C)CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000185081229 496650489 /nfs/dbraw/zinc/65/04/89/496650489.db2.gz BNVMBZJROPPVPP-CQSZACIVSA-N 0 3 365.449 3.416 20 5 FGBDHN C[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173357358 496658300 /nfs/dbraw/zinc/65/83/00/496658300.db2.gz CSWDFUVJPGGRHK-FOIQADDNSA-N 0 3 373.428 3.458 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188057095 496666669 /nfs/dbraw/zinc/66/66/69/496666669.db2.gz HCTBZGSMDHHKGK-OLZOCXBDSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1ccccc1N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580903917 505865070 /nfs/dbraw/zinc/86/50/70/505865070.db2.gz ZFTDZCYBRIDLBR-YOEHRIQHSA-N 0 3 353.422 3.459 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000578123093 505867574 /nfs/dbraw/zinc/86/75/74/505867574.db2.gz NZCYXFIPHALQOB-OKYOBFRVSA-N 0 3 356.426 3.177 20 5 FGBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247384292 496848272 /nfs/dbraw/zinc/84/82/72/496848272.db2.gz LQVCAHGGMJTYSB-PBHICJAKSA-N 0 3 359.451 3.469 20 5 FGBDHN Cc1c(C(=O)Nc2ccc3c(c2)CNCC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269232546 496900231 /nfs/dbraw/zinc/90/02/31/496900231.db2.gz VZNHCPXXESLLTA-UHFFFAOYSA-N 0 3 370.365 3.018 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247945471 496930014 /nfs/dbraw/zinc/93/00/14/496930014.db2.gz AVHUSPLOSBFFLT-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000191955544 496942850 /nfs/dbraw/zinc/94/28/50/496942850.db2.gz FGZOHKBICIXYRF-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248144032 496962747 /nfs/dbraw/zinc/96/27/47/496962747.db2.gz ZCLSJXCRYIDHBI-WMZOPIPTSA-N 0 3 354.410 3.470 20 5 FGBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)cs1 ZINC000192354675 497086380 /nfs/dbraw/zinc/08/63/80/497086380.db2.gz OHDUNAOQRHXLLE-QGZVFWFLSA-N 0 3 361.467 3.037 20 5 FGBDHN Cc1ccc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357222 497087875 /nfs/dbraw/zinc/08/78/75/497087875.db2.gz XXVHZBDQKXNNSU-FQEVSTJZSA-N 0 3 369.465 3.284 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248720262 497088456 /nfs/dbraw/zinc/08/84/56/497088456.db2.gz CFKCQBFYHJLYLN-BEFAXECRSA-N 0 3 353.422 3.154 20 5 FGBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000274577999 497127112 /nfs/dbraw/zinc/12/71/12/497127112.db2.gz HBYYMBDGYFRXKP-IINYFYTJSA-N 0 3 372.347 3.172 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192637580 497172011 /nfs/dbraw/zinc/17/20/11/497172011.db2.gz VNJVNOQEJZYWDL-QGZVFWFLSA-N 0 3 357.458 3.078 20 5 FGBDHN COc1cccc(CN(CCN(C)C)c2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000189628584 497188243 /nfs/dbraw/zinc/18/82/43/497188243.db2.gz YKUFSTKGYQRHPT-UHFFFAOYSA-N 0 3 364.833 3.220 20 5 FGBDHN COc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237390184 497229859 /nfs/dbraw/zinc/22/98/59/497229859.db2.gz GCFIEVQFJAYVIE-UHFFFAOYSA-N 0 3 352.394 3.294 20 5 FGBDHN C[C@@H](CC1CCCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572114426 505892904 /nfs/dbraw/zinc/89/29/04/505892904.db2.gz TWLLFGXQSVMMAZ-AWEZNQCLSA-N 0 3 354.472 3.317 20 5 FGBDHN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000237449643 497238786 /nfs/dbraw/zinc/23/87/86/497238786.db2.gz IUZZCPISVVVCSZ-UHFFFAOYSA-N 0 3 370.384 3.433 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCc3ccc4c(c3)CCO4)C2)nc1 ZINC000193252442 497334485 /nfs/dbraw/zinc/33/44/85/497334485.db2.gz OWQKEIYBYDKRNY-QGZVFWFLSA-N 0 3 368.437 3.044 20 5 FGBDHN CC(C)(C)OC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275586184 497373066 /nfs/dbraw/zinc/37/30/66/497373066.db2.gz IQTILTDCRRTOGN-UHFFFAOYSA-N 0 3 367.421 3.342 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCNC[C@H]3c3cccnc3)o2)c1 ZINC000261705156 497437113 /nfs/dbraw/zinc/43/71/13/497437113.db2.gz MABWGJNYEATBGM-IBGZPJMESA-N 0 3 364.405 3.396 20 5 FGBDHN COc1cccc2c1CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193716301 497457092 /nfs/dbraw/zinc/45/70/92/497457092.db2.gz IJCZWSDUMWPMAG-UHFFFAOYSA-N 0 3 369.421 3.033 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000267113006 497487751 /nfs/dbraw/zinc/48/77/51/497487751.db2.gz ZEPYHJXTSGIFCC-UHFFFAOYSA-N 0 3 358.442 3.444 20 5 FGBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000280066662 497637351 /nfs/dbraw/zinc/63/73/51/497637351.db2.gz HJNQJPWAKXRFOJ-CYBMUJFWSA-N 0 3 369.824 3.017 20 5 FGBDHN CCOc1cc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000276836860 497666868 /nfs/dbraw/zinc/66/68/68/497666868.db2.gz BWDGFTLLRKVKQB-AWEZNQCLSA-N 0 3 367.409 3.425 20 5 FGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246283742 497683651 /nfs/dbraw/zinc/68/36/51/497683651.db2.gz AVADKVRZHKKTTO-IUODEOHRSA-N 0 3 365.455 3.101 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000334005892 497844803 /nfs/dbraw/zinc/84/48/03/497844803.db2.gz QSMCSZQSFSFMTR-MJBXVCDLSA-N 0 3 365.499 3.413 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000578479220 505949303 /nfs/dbraw/zinc/94/93/03/505949303.db2.gz OVGOXKVVZAMHFS-CQSZACIVSA-N 0 3 357.410 3.026 20 5 FGBDHN CCN1CCC(N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC000364438613 497958818 /nfs/dbraw/zinc/95/88/18/497958818.db2.gz RKKBTYNHHXRDJQ-UHFFFAOYSA-N 0 3 363.483 3.406 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](n3cncn3)C2)s1 ZINC000364511423 497993678 /nfs/dbraw/zinc/99/36/78/497993678.db2.gz QESVLOUGLFFOOH-ZDUSSCGKSA-N 0 3 355.423 3.362 20 5 FGBDHN C[C@H]1CN(CC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301202951 497997717 /nfs/dbraw/zinc/99/77/17/497997717.db2.gz XKDAFPQUJIWSTE-KBPBESRZSA-N 0 3 351.422 3.060 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3nccc(C)c3[N+](=O)[O-])cc2)CC1 ZINC000301303037 498047327 /nfs/dbraw/zinc/04/73/27/498047327.db2.gz SEBDGMJUWLECRQ-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301477201 498127234 /nfs/dbraw/zinc/12/72/34/498127234.db2.gz PCAGTEPCGWOKCW-UHFFFAOYSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292757561 498135918 /nfs/dbraw/zinc/13/59/18/498135918.db2.gz VZQZLPMKOOIZPY-UHFFFAOYSA-N 0 3 364.465 3.037 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296829927 498214076 /nfs/dbraw/zinc/21/40/76/498214076.db2.gz SQXIEALVULIOPA-STQMWFEESA-N 0 3 350.394 3.133 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293031560 498242552 /nfs/dbraw/zinc/24/25/52/498242552.db2.gz AAJOPMJQMPWJOG-LLVKDONJSA-N 0 3 359.348 3.027 20 5 FGBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293312937 498343072 /nfs/dbraw/zinc/34/30/72/498343072.db2.gz BYEBLYYKKADJDM-UHFFFAOYSA-N 0 3 359.348 3.075 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](n3cnc4ccccc43)C2)c1 ZINC000361189380 498358313 /nfs/dbraw/zinc/35/83/13/498358313.db2.gz HTOBQGLNBGGQBU-PXNSSMCTSA-N 0 3 366.421 3.315 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000331620030 498396089 /nfs/dbraw/zinc/39/60/89/498396089.db2.gz TXPGPPGABDEJPS-YCPHGPKFSA-N 0 3 363.483 3.161 20 5 FGBDHN Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302167153 498424663 /nfs/dbraw/zinc/42/46/63/498424663.db2.gz LATXJYSGNUKQKG-HUUCEWRRSA-N 0 3 358.442 3.363 20 5 FGBDHN Cc1c(NC(=O)N(C)C2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000365375850 498432655 /nfs/dbraw/zinc/43/26/55/498432655.db2.gz HPYCMYVGJTZSPO-UHFFFAOYSA-N 0 3 369.425 3.431 20 5 FGBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)N2CCCCC2)cc1 ZINC000302184411 498433084 /nfs/dbraw/zinc/43/30/84/498433084.db2.gz SVAUEHAHVYQZHG-KRWDZBQOSA-N 0 3 357.414 3.033 20 5 FGBDHN C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293655634 498443229 /nfs/dbraw/zinc/44/32/29/498443229.db2.gz IVILPLSRXCMTDP-ZDUSSCGKSA-N 0 3 354.410 3.155 20 5 FGBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286680732 498474240 /nfs/dbraw/zinc/47/42/40/498474240.db2.gz VMGWBIBTZZIOBR-KISNFGTJSA-N 0 3 355.394 3.105 20 5 FGBDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4coc(-c5ccc([N+](=O)[O-])cc5)n4)[C@H]1[C@H]3C2 ZINC000286680738 498474715 /nfs/dbraw/zinc/47/47/15/498474715.db2.gz VMGWBIBTZZIOBR-MZDBXJLNSA-N 0 3 355.394 3.105 20 5 FGBDHN COc1cc(NC[C@@H]2CCCN(Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000362907908 498576927 /nfs/dbraw/zinc/57/69/27/498576927.db2.gz XXAVFNNJNRQJBB-INIZCTEOSA-N 0 3 356.426 3.323 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)cc2)c1 ZINC000282633641 498590580 /nfs/dbraw/zinc/59/05/80/498590580.db2.gz KGYFKECNVRCQBL-UHFFFAOYSA-N 0 3 373.409 3.186 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000365676436 498593035 /nfs/dbraw/zinc/59/30/35/498593035.db2.gz MWNJQOPFODPFRW-GUYCJALGSA-N 0 3 359.451 3.388 20 5 FGBDHN COc1ccc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000287064725 498613390 /nfs/dbraw/zinc/61/33/90/498613390.db2.gz VFIQGQDPVJAPEW-SUMWQHHRSA-N 0 3 360.410 3.305 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365739051 498619288 /nfs/dbraw/zinc/61/92/88/498619288.db2.gz HUALFRCZYGEWNH-HZPDHXFCSA-N 0 3 371.462 3.250 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365744824 498621370 /nfs/dbraw/zinc/62/13/70/498621370.db2.gz AILPXDUDJFXYAZ-WBVHZDCISA-N 0 3 371.462 3.250 20 5 FGBDHN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCN(C)[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563671 498727171 /nfs/dbraw/zinc/72/71/71/498727171.db2.gz WHMISLWHCOVDOG-VYDXJSESSA-N 0 3 374.485 3.044 20 5 FGBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000310825939 498748640 /nfs/dbraw/zinc/74/86/40/498748640.db2.gz XXSIFQFCKYFFAO-CYBMUJFWSA-N 0 3 355.423 3.286 20 5 FGBDHN CNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000312321946 498759382 /nfs/dbraw/zinc/75/93/82/498759382.db2.gz RYSKJGWDPOPCKO-YOEHRIQHSA-N 0 3 368.437 3.029 20 5 FGBDHN C[C@@H](N[C@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370162091 499190337 /nfs/dbraw/zinc/19/03/37/499190337.db2.gz NIITWMBVCOHKMD-ZBFHGGJFSA-N 0 3 368.437 3.013 20 5 FGBDHN Cc1sc(C(=O)N(C)C2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000368929040 499347449 /nfs/dbraw/zinc/34/74/49/499347449.db2.gz DNLRIRVLULBBPH-UHFFFAOYSA-N 0 3 360.439 3.101 20 5 FGBDHN Cn1cc(CN2CCC(OCC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000372399205 499429303 /nfs/dbraw/zinc/42/93/03/499429303.db2.gz DRPCRCYOHDXGBJ-UHFFFAOYSA-N 0 3 370.453 3.386 20 5 FGBDHN COC[C@]1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])OCCc2ccccc21 ZINC000573219783 506147427 /nfs/dbraw/zinc/14/74/27/506147427.db2.gz NNEQCLPSECGBDA-CTNGQTDRSA-N 0 3 368.433 3.286 20 5 FGBDHN CNc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390713823 499555038 /nfs/dbraw/zinc/55/50/38/499555038.db2.gz BPEMVQUPLHELCA-MRXNPFEDSA-N 0 3 368.437 3.031 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015636 499566127 /nfs/dbraw/zinc/56/61/27/499566127.db2.gz WFDKQBQYSSEZAJ-RHSMWYFYSA-N 0 3 368.437 3.029 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2c1CNCC2 ZINC000375938426 499570097 /nfs/dbraw/zinc/57/00/97/499570097.db2.gz RHTUHDLQOYQQMN-LBPRGKRZSA-N 0 3 357.435 3.360 20 5 FGBDHN COc1ccc(CN[C@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047644 499572156 /nfs/dbraw/zinc/57/21/56/499572156.db2.gz WNZRLYOVPVVRKT-HXUWFJFHSA-N 0 3 355.438 3.358 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000409746370 499619695 /nfs/dbraw/zinc/61/96/95/499619695.db2.gz LICSZYKBUUVDKX-UHFFFAOYSA-N 0 3 369.465 3.160 20 5 FGBDHN O=C(CCN1CCCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409856059 499625582 /nfs/dbraw/zinc/62/55/82/499625582.db2.gz DIKCNDGECFWFCY-UHFFFAOYSA-N 0 3 368.437 3.136 20 5 FGBDHN COc1ccc(NC(=O)CCN(Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000411197097 499709813 /nfs/dbraw/zinc/70/98/13/499709813.db2.gz VIUFESMXZDRSMK-UHFFFAOYSA-N 0 3 361.398 3.436 20 5 FGBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000411470143 499744605 /nfs/dbraw/zinc/74/46/05/499744605.db2.gz BOSNJJYADMQHRJ-KRWDZBQOSA-N 0 3 361.373 3.040 20 5 FGBDHN COc1cc(CN[C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411940982 499805060 /nfs/dbraw/zinc/80/50/60/499805060.db2.gz GSQLCUDSYGULGI-BTDLBPIBSA-N 0 3 374.384 3.498 20 5 FGBDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603240093 506463745 /nfs/dbraw/zinc/46/37/45/506463745.db2.gz RJVXDVOBPSESHL-ZDUSSCGKSA-N 0 3 368.235 3.043 20 5 FGBDHN O=C(Nc1ccc2c(c1)CNCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000415901961 499926300 /nfs/dbraw/zinc/92/63/00/499926300.db2.gz VJNFUZJTMIDZKE-UHFFFAOYSA-N 0 3 366.421 3.437 20 5 FGBDHN C[C@@H](NC(=O)Nc1ccc2c(c1F)CCNC2)c1cccc([N+](=O)[O-])c1 ZINC000415962588 499933957 /nfs/dbraw/zinc/93/39/57/499933957.db2.gz TXFRWSLEVVVQDV-LLVKDONJSA-N 0 3 358.373 3.262 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1F)CCNC2)c1ccccc1[N+](=O)[O-] ZINC000415965469 499934796 /nfs/dbraw/zinc/93/47/96/499934796.db2.gz AADVQKDGTVSXIG-UHFFFAOYSA-N 0 3 372.400 3.436 20 5 FGBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000421098341 499952926 /nfs/dbraw/zinc/95/29/26/499952926.db2.gz XQEVUGIYJAXBNZ-LLVKDONJSA-N 0 3 360.336 3.172 20 5 FGBDHN COc1ccc([C@H](CO)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000413441157 499958332 /nfs/dbraw/zinc/95/83/32/499958332.db2.gz PMOSAAAQZQQVJA-HNNXBMFYSA-N 0 3 367.405 3.070 20 5 FGBDHN CC(C)(NC(=O)CCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000416171603 499967388 /nfs/dbraw/zinc/96/73/88/499967388.db2.gz REEOBFRPKIERJO-UHFFFAOYSA-N 0 3 367.449 3.395 20 5 FGBDHN CCCN1C[C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000421357126 500024793 /nfs/dbraw/zinc/02/47/93/500024793.db2.gz ZIMHWDGNCRAEGS-AWEZNQCLSA-N 0 3 357.410 3.203 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC000429330849 500054006 /nfs/dbraw/zinc/05/40/06/500054006.db2.gz DIFOPSHQCXNKCK-SJORKVTESA-N 0 3 363.458 3.415 20 5 FGBDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425432352 500104103 /nfs/dbraw/zinc/10/41/03/500104103.db2.gz IAWVYFPPCYJCAT-IAQYHMDHSA-N 0 3 357.248 3.340 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000421740683 500136500 /nfs/dbraw/zinc/13/65/00/500136500.db2.gz LEXFZRBPZOVDMP-KRWDZBQOSA-N 0 3 355.438 3.114 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425607180 500158934 /nfs/dbraw/zinc/15/89/34/500158934.db2.gz NMGUAAPQDVYMEW-INIZCTEOSA-N 0 3 369.421 3.127 20 5 FGBDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430111172 500194629 /nfs/dbraw/zinc/19/46/29/500194629.db2.gz OOUHQRLAANFWEQ-HXUWFJFHSA-N 0 3 354.406 3.220 20 5 FGBDHN COc1cc(CNC[C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000418096352 500228638 /nfs/dbraw/zinc/22/86/38/500228638.db2.gz MLMRZIJKNGGWSW-NSHDSACASA-N 0 3 360.332 3.434 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(CC(F)F)C3)o2)cc1 ZINC000418134604 500234961 /nfs/dbraw/zinc/23/49/61/500234961.db2.gz NOTYALWFTXNDLD-ZDUSSCGKSA-N 0 3 351.353 3.284 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2F)CCNC3)c1 ZINC000423655312 500392674 /nfs/dbraw/zinc/39/26/74/500392674.db2.gz RWLAAWBRGYEREO-UHFFFAOYSA-N 0 3 359.357 3.031 20 5 FGBDHN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H](N)c1ccccc1 ZINC000423730874 500397648 /nfs/dbraw/zinc/39/76/48/500397648.db2.gz XBRHMQSCNYKOLI-IFXJQAMLSA-N 0 3 353.422 3.422 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000423953872 500424011 /nfs/dbraw/zinc/42/40/11/500424011.db2.gz BIRZTVVUQQMVKP-IBGZPJMESA-N 0 3 370.453 3.166 20 5 FGBDHN CCCN(CCN1CCCCC1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000579528460 506195254 /nfs/dbraw/zinc/19/52/54/506195254.db2.gz NQAAFJPUZDOBPL-UHFFFAOYSA-N 0 3 365.474 3.310 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424117334 500456397 /nfs/dbraw/zinc/45/63/97/500456397.db2.gz YVMGCBOYWDLZOL-QFBILLFUSA-N 0 3 366.421 3.333 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428722522 500549224 /nfs/dbraw/zinc/54/92/24/500549224.db2.gz WVQYQJPQJUZETP-GOEBONIOSA-N 0 3 353.369 3.209 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447405210 500601774 /nfs/dbraw/zinc/60/17/74/500601774.db2.gz OBPHULDNHTXNAF-UHFFFAOYSA-N 0 3 373.457 3.384 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCOCC(F)(F)C(F)F)CCC2 ZINC000447594981 500631416 /nfs/dbraw/zinc/63/14/16/500631416.db2.gz JZQZIJPZSOEVPT-CYBMUJFWSA-N 0 3 350.312 3.479 20 5 FGBDHN CC(C)CN1CCO[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433137191 500633077 /nfs/dbraw/zinc/63/30/77/500633077.db2.gz SFGHXZJMEVMHER-APWZRJJASA-N 0 3 361.486 3.264 20 5 FGBDHN CCOc1cc(CN(CCOC)[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433182413 500640767 /nfs/dbraw/zinc/64/07/67/500640767.db2.gz NVADPOKQKMHGAG-HNNXBMFYSA-N 0 3 354.472 3.338 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000448259515 500741355 /nfs/dbraw/zinc/74/13/55/500741355.db2.gz DTCXZFORQRALIE-INIZCTEOSA-N 0 3 362.474 3.250 20 5 FGBDHN CC(C)C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(C)C ZINC000448971569 500884388 /nfs/dbraw/zinc/88/43/88/500884388.db2.gz OSMHXZOEHJISAK-GFCCVEGCSA-N 0 3 361.364 3.320 20 5 FGBDHN COc1cc(OC)c(OC)cc1CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449060629 500914506 /nfs/dbraw/zinc/91/45/06/500914506.db2.gz DJFZGEBOOWDCRN-CYBMUJFWSA-N 0 3 360.410 3.341 20 5 FGBDHN COc1cc(OC)c(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449086262 500921781 /nfs/dbraw/zinc/92/17/81/500921781.db2.gz BMZFLMVXUXBWLX-ZDUSSCGKSA-N 0 3 360.410 3.341 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000439867609 500948027 /nfs/dbraw/zinc/94/80/27/500948027.db2.gz BNIIGVXSPDNKMD-KRWDZBQOSA-N 0 3 372.425 3.418 20 5 FGBDHN NC(=O)c1cc(NC[C@@H](c2cccs2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596055770 506231038 /nfs/dbraw/zinc/23/10/38/506231038.db2.gz YDHCOWNLIIFZTC-HNNXBMFYSA-N 0 3 360.439 3.004 20 5 FGBDHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681438 501060993 /nfs/dbraw/zinc/06/09/93/501060993.db2.gz VVMOWHYDMAOHKX-XJKSGUPXSA-N 0 3 362.451 3.295 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000441050198 501079514 /nfs/dbraw/zinc/07/95/14/501079514.db2.gz XHHSGXURVGYNCE-HPTYGODWSA-N 0 3 370.453 3.110 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000441050199 501080086 /nfs/dbraw/zinc/08/00/86/501080086.db2.gz XHHSGXURVGYNCE-SFWXYKJNSA-N 0 3 370.453 3.110 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000447077613 501201860 /nfs/dbraw/zinc/20/18/60/501201860.db2.gz OAVCYYPFRSCQBN-QZTJIDSGSA-N 0 3 355.438 3.198 20 5 FGBDHN Cc1cccc(S(=O)(=O)CCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451107585 501246259 /nfs/dbraw/zinc/24/62/59/501246259.db2.gz ZTWSTTHHHZRNDI-HNNXBMFYSA-N 0 3 362.451 3.418 20 5 FGBDHN C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000455338462 501275674 /nfs/dbraw/zinc/27/56/74/501275674.db2.gz SSIAZQISDLGSPL-LBPRGKRZSA-N 0 3 350.394 3.072 20 5 FGBDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000451589320 501331103 /nfs/dbraw/zinc/33/11/03/501331103.db2.gz AANOHNTZSFZIES-GUYCJALGSA-N 0 3 371.865 3.065 20 5 FGBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458197792 501389920 /nfs/dbraw/zinc/38/99/20/501389920.db2.gz GITYMQMDJNHCNB-UHFFFAOYSA-N 0 3 361.467 3.423 20 5 FGBDHN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456301294 501492214 /nfs/dbraw/zinc/49/22/14/501492214.db2.gz HKZXFHJPWSQVAQ-MRXNPFEDSA-N 0 3 367.449 3.497 20 5 FGBDHN CC(C)(CN1CCCC1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457047796 501640505 /nfs/dbraw/zinc/64/05/05/501640505.db2.gz INBSKYSJZKTWTQ-UHFFFAOYSA-N 0 3 374.466 3.323 20 5 FGBDHN CC(C)(CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000457059733 501642661 /nfs/dbraw/zinc/64/26/61/501642661.db2.gz WWSYGKIXSKAPRU-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000457100251 501650487 /nfs/dbraw/zinc/65/04/87/501650487.db2.gz WJZDTUBNUWMCGK-MRXNPFEDSA-N 0 3 368.437 3.212 20 5 FGBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000457363849 501687809 /nfs/dbraw/zinc/68/78/09/501687809.db2.gz PUIHCPJWDKKLRS-HKUYNNGSSA-N 0 3 369.421 3.216 20 5 FGBDHN O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459789009 501714326 /nfs/dbraw/zinc/71/43/26/501714326.db2.gz RBZWXHWKYZNFBI-SUZMYJTESA-N 0 3 368.231 3.074 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000467700514 501848501 /nfs/dbraw/zinc/84/85/01/501848501.db2.gz LOCLSRVCLRQYOJ-WBVHZDCISA-N 0 3 353.422 3.296 20 5 FGBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485604505 501875182 /nfs/dbraw/zinc/87/51/82/501875182.db2.gz XMAPXULFNPWREF-RYUDHWBXSA-N 0 3 371.384 3.189 20 5 FGBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596151239 506281576 /nfs/dbraw/zinc/28/15/76/506281576.db2.gz BWZPZINWAYJDLU-YOEHRIQHSA-N 0 3 368.437 3.159 20 5 FGBDHN CC(C)C1CCC(N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)CC1 ZINC000596154844 506282800 /nfs/dbraw/zinc/28/28/00/506282800.db2.gz NUCXXORXRDDMKK-UHFFFAOYSA-N 0 3 374.485 3.031 20 5 FGBDHN Cc1c(CNC(=O)NCCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478481628 501996811 /nfs/dbraw/zinc/99/68/11/501996811.db2.gz MFSXRJASARECDY-UHFFFAOYSA-N 0 3 370.453 3.225 20 5 FGBDHN COc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(F)cc1[N+](=O)[O-] ZINC000485996354 502014151 /nfs/dbraw/zinc/01/41/51/502014151.db2.gz QMCUMEVFJRWFFP-LIRRHRJNSA-N 0 3 374.416 3.267 20 5 FGBDHN C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000478557502 502017503 /nfs/dbraw/zinc/01/75/03/502017503.db2.gz AVJXTNGEWRUANF-KGLIPLIRSA-N 0 3 351.472 3.066 20 5 FGBDHN CCOC(=O)C1(C)CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000475236402 502106554 /nfs/dbraw/zinc/10/65/54/502106554.db2.gz QWPNSLVHQVJGKL-UHFFFAOYSA-N 0 3 360.414 3.073 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)Cc1cccc(F)c1 ZINC000468651917 502136143 /nfs/dbraw/zinc/13/61/43/502136143.db2.gz DYXIVFWJLMOPIK-GDNBJRDFSA-N 0 3 371.412 3.086 20 5 FGBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475576859 502217977 /nfs/dbraw/zinc/21/79/77/502217977.db2.gz YPOFVXXFUMIQEJ-AWEZNQCLSA-N 0 3 358.394 3.340 20 5 FGBDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000486868446 502287860 /nfs/dbraw/zinc/28/78/60/502287860.db2.gz KDCIQMCRDHXCIP-KSSFIOAISA-N 0 3 360.414 3.001 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599064477 506304820 /nfs/dbraw/zinc/30/48/20/506304820.db2.gz AZWNDBPCZWQCHI-OCCSQVGLSA-N 0 3 357.401 3.374 20 5 FGBDHN CCCOc1ccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602801170 506305523 /nfs/dbraw/zinc/30/55/23/506305523.db2.gz LPDQIOSZNZZRBL-CYBMUJFWSA-N 0 3 362.430 3.248 20 5 FGBDHN Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462170600 502333897 /nfs/dbraw/zinc/33/38/97/502333897.db2.gz PKJKJJZULRUMJU-CRAIPNDOSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000602807472 506308124 /nfs/dbraw/zinc/30/81/24/506308124.db2.gz UWANYLVABBMNAK-LLVKDONJSA-N 0 3 372.347 3.392 20 5 FGBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@@H]2C1 ZINC000462695825 502537423 /nfs/dbraw/zinc/53/74/23/502537423.db2.gz IPQWKYVTFFUVKK-SJLPKXTDSA-N 0 3 368.437 3.099 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)c2nc3sccn3c2[N+](=O)[O-])c1 ZINC000470047640 502638823 /nfs/dbraw/zinc/63/88/23/502638823.db2.gz AQIIRZCSYRNMAS-UHFFFAOYSA-N 0 3 359.455 3.181 20 5 FGBDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000588771335 506333380 /nfs/dbraw/zinc/33/33/80/506333380.db2.gz YYPBQBPCSQJNJN-RZQQEMMASA-N 0 3 367.449 3.478 20 5 FGBDHN CCCOc1ccc(OCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488797868 502811632 /nfs/dbraw/zinc/81/16/32/502811632.db2.gz JULYXZNBAUXSJA-UHFFFAOYSA-N 0 3 374.441 3.296 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593014509 506336666 /nfs/dbraw/zinc/33/66/66/506336666.db2.gz ZUCXVJGRYATTLR-QWRGUYRKSA-N 0 3 362.304 3.290 20 5 FGBDHN COC(=O)CCC[C@@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000513273645 502893660 /nfs/dbraw/zinc/89/36/60/502893660.db2.gz YYOJGSDSMFPUPQ-KBPBESRZSA-N 0 3 374.441 3.463 20 5 FGBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC000593021388 506341585 /nfs/dbraw/zinc/34/15/85/506341585.db2.gz LKYCJLAWQBSESX-SFHVURJKSA-N 0 3 371.412 3.230 20 5 FGBDHN CC(C)N(Cc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513509693 502955017 /nfs/dbraw/zinc/95/50/17/502955017.db2.gz VDAHXPVNICKRCS-OAHLLOKOSA-N 0 3 350.440 3.307 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000505684811 502965861 /nfs/dbraw/zinc/96/58/61/502965861.db2.gz ZVMIXZQNWPSKLR-FXAWDEMLSA-N 0 3 359.470 3.108 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000513716103 503007825 /nfs/dbraw/zinc/00/78/25/503007825.db2.gz XIJKDEOUAJKDFZ-NEPJUHHUSA-N 0 3 371.384 3.189 20 5 FGBDHN CN1CCC(N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000593032200 506347486 /nfs/dbraw/zinc/34/74/86/506347486.db2.gz LQHCEUQFYUGFIZ-UHFFFAOYSA-N 0 3 371.412 3.404 20 5 FGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000501536719 503032010 /nfs/dbraw/zinc/03/20/10/503032010.db2.gz QKLOFKHTUSBZMO-NWDGAFQWSA-N 0 3 354.838 3.490 20 5 FGBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000497895802 503061880 /nfs/dbraw/zinc/06/18/80/503061880.db2.gz NPAVNEKMIANCSH-UHFFFAOYSA-N 0 3 350.378 3.457 20 5 FGBDHN Cc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090272 503107527 /nfs/dbraw/zinc/10/75/27/503107527.db2.gz LESNQGZUVYWCNN-KBXCAEBGSA-N 0 3 353.422 3.380 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501951775 503115352 /nfs/dbraw/zinc/11/53/52/503115352.db2.gz VYORNMALYDLXMG-RDJZCZTQSA-N 0 3 370.453 3.231 20 5 FGBDHN C[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000498159898 503121755 /nfs/dbraw/zinc/12/17/55/503121755.db2.gz WQSFZONMDDCZDH-KSSFIOAISA-N 0 3 363.483 3.433 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000510528522 503135202 /nfs/dbraw/zinc/13/52/02/503135202.db2.gz XJPVJKMZSFYQKS-MGPUTAFESA-N 0 3 371.437 3.090 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000510533991 503136264 /nfs/dbraw/zinc/13/62/64/503136264.db2.gz BCGYOWDIEHZYEK-IFXJQAMLSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000510542194 503139150 /nfs/dbraw/zinc/13/91/50/503139150.db2.gz XVXIERMDVAQYFV-FZKQIMNGSA-N 0 3 359.401 3.464 20 5 FGBDHN CC(C)(NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000490382921 503165467 /nfs/dbraw/zinc/16/54/67/503165467.db2.gz WZPZBEKQRCZQTQ-OAHLLOKOSA-N 0 3 360.458 3.146 20 5 FGBDHN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2)CC1 ZINC000491444073 503308148 /nfs/dbraw/zinc/30/81/48/503308148.db2.gz JJKCCOFHNCFKEE-QGZVFWFLSA-N 0 3 356.426 3.126 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000511499274 503332777 /nfs/dbraw/zinc/33/27/77/503332777.db2.gz RFADIWGXIAOPCI-UHFFFAOYSA-N 0 3 353.422 3.298 20 5 FGBDHN CCOc1cc(CN[C@]2(C)CCCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000492581463 503375655 /nfs/dbraw/zinc/37/56/55/503375655.db2.gz HYEPKRHGFLTFEL-KBXCAEBGSA-N 0 3 350.415 3.205 20 5 FGBDHN COc1cc(CNCCc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OC ZINC000507902577 503391389 /nfs/dbraw/zinc/39/13/89/503391389.db2.gz KMNJMYSZVPTZAG-UHFFFAOYSA-N 0 3 367.405 3.493 20 5 FGBDHN Cc1cc(NCc2cccnc2N2CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596355507 506370035 /nfs/dbraw/zinc/37/00/35/506370035.db2.gz CDLDTDRBUPRUBR-UHFFFAOYSA-N 0 3 363.421 3.481 20 5 FGBDHN O=[N+]([O-])c1ccccc1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593069084 506372683 /nfs/dbraw/zinc/37/26/83/506372683.db2.gz RRDVHFPRRDBUAW-SFTDATJTSA-N 0 3 367.449 3.070 20 5 FGBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000494026662 503476103 /nfs/dbraw/zinc/47/61/03/503476103.db2.gz JIDJNISLGDWXOU-SCLBCKFNSA-N 0 3 357.385 3.127 20 5 FGBDHN CN(CCc1nc(-c2ccccc2)no1)CCc1ccc([N+](=O)[O-])cc1 ZINC000512195797 503483301 /nfs/dbraw/zinc/48/33/01/503483301.db2.gz MIOZSMZQLZJUHZ-UHFFFAOYSA-N 0 3 352.394 3.362 20 5 FGBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N1CCOCC1 ZINC000500053155 503542331 /nfs/dbraw/zinc/54/23/31/503542331.db2.gz VTBCDOHNAMUEJV-JXFKEZNVSA-N 0 3 355.438 3.146 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000500536552 503643351 /nfs/dbraw/zinc/64/33/51/503643351.db2.gz ZLKDCCNBWCXGRO-RHSMWYFYSA-N 0 3 374.441 3.159 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000540154717 503691453 /nfs/dbraw/zinc/69/14/53/503691453.db2.gz ZBPKJHAVYLYVKW-PWIZWCRZSA-N 0 3 369.465 3.189 20 5 FGBDHN CN(C)CCOc1ccc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC000546294103 503701193 /nfs/dbraw/zinc/70/11/93/503701193.db2.gz LWJTWJDCRIFDFH-UHFFFAOYSA-N 0 3 372.356 3.391 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCNCc2ccnn2-c2ccc(F)cc2)cc1 ZINC000527227139 503728911 /nfs/dbraw/zinc/72/89/11/503728911.db2.gz JVRKFUSHHXXJSR-UHFFFAOYSA-N 0 3 356.357 3.088 20 5 FGBDHN Cc1ccc2c(c1)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C2 ZINC000543597328 503825211 /nfs/dbraw/zinc/82/52/11/503825211.db2.gz KNPWGQGOVYTHSR-AUUYWEPGSA-N 0 3 374.462 3.200 20 5 FGBDHN Cc1c(NC(=O)CCN[C@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000537176564 503827747 /nfs/dbraw/zinc/82/77/47/503827747.db2.gz OBUDCMWBKBAHMP-GOSISDBHSA-N 0 3 373.457 3.342 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1[N+](=O)[O-] ZINC000546874466 503911812 /nfs/dbraw/zinc/91/18/12/503911812.db2.gz QNVAXQJSWLGINM-NUDXDXSLSA-N 0 3 364.442 3.371 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000541014665 503975730 /nfs/dbraw/zinc/97/57/30/503975730.db2.gz YLATWDJGGWWJMF-RYUDHWBXSA-N 0 3 371.384 3.046 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OCCO)CC3)s2)cc1 ZINC000537623005 503979392 /nfs/dbraw/zinc/97/93/92/503979392.db2.gz TXFASQUWDSXYTA-UHFFFAOYSA-N 0 3 362.451 3.297 20 5 FGBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000544144074 504026346 /nfs/dbraw/zinc/02/63/46/504026346.db2.gz UKUXRQFSMGFUPX-BHIYHBOVSA-N 0 3 370.449 3.460 20 5 FGBDHN CN(C)Cc1ccc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000530632894 504033716 /nfs/dbraw/zinc/03/37/16/504033716.db2.gz YCKVKQBTVGBICN-UHFFFAOYSA-N 0 3 353.382 3.319 20 5 FGBDHN CC(C)N(Cc1cccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280463 504072458 /nfs/dbraw/zinc/07/24/58/504072458.db2.gz BURATRNIQNETML-AWEZNQCLSA-N 0 3 350.440 3.307 20 5 FGBDHN COc1ccc2c(c1)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000537978607 504100734 /nfs/dbraw/zinc/10/07/34/504100734.db2.gz AJKREDNZPSRGLK-GOSISDBHSA-N 0 3 358.394 3.486 20 5 FGBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H](c3cccs3)N3CCCC3)c21 ZINC000544393750 504116191 /nfs/dbraw/zinc/11/61/91/504116191.db2.gz CJDYOYUVLBCQPW-OAHLLOKOSA-N 0 3 369.450 3.270 20 5 FGBDHN COc1cc(CN[C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000544472024 504147012 /nfs/dbraw/zinc/14/70/12/504147012.db2.gz HQJDAJGPBCTZHX-MNOVXSKESA-N 0 3 360.357 3.110 20 5 FGBDHN COc1cc(CNCCC2CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000541760243 504245365 /nfs/dbraw/zinc/24/53/65/504245365.db2.gz DECJWKOMSZXZHW-UHFFFAOYSA-N 0 3 352.431 3.297 20 5 FGBDHN C[C@@H](CCO)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000538447007 504248620 /nfs/dbraw/zinc/24/86/20/504248620.db2.gz SPSJGYYPOADUKD-LBPRGKRZSA-N 0 3 358.385 3.475 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000519638388 504284096 /nfs/dbraw/zinc/28/40/96/504284096.db2.gz HBWFKAYLVRKEPT-OAHLLOKOSA-N 0 3 359.426 3.190 20 5 FGBDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000544895601 504293873 /nfs/dbraw/zinc/29/38/73/504293873.db2.gz IHAPJSSXQOJDLA-OAHLLOKOSA-N 0 3 353.422 3.452 20 5 FGBDHN NC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000531486642 504324688 /nfs/dbraw/zinc/32/46/88/504324688.db2.gz OUGZCTJGMUPPTA-UHFFFAOYSA-N 0 3 368.418 3.107 20 5 FGBDHN O=[N+]([O-])c1ccccc1C=Cc1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1 ZINC000545141327 504373025 /nfs/dbraw/zinc/37/30/25/504373025.db2.gz HYADIVDJRJOVTA-BXIWVINRSA-N 0 3 353.382 3.004 20 5 FGBDHN Cc1ccccc1CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000519903392 504379354 /nfs/dbraw/zinc/37/93/54/504379354.db2.gz BMOUKPIBCJTRDD-LJQANCHMSA-N 0 3 356.422 3.308 20 5 FGBDHN CC[C@@H](NCCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531689916 504394053 /nfs/dbraw/zinc/39/40/53/504394053.db2.gz QDDMJCFHXTXKSC-OAQYLSRUSA-N 0 3 368.481 3.458 20 5 FGBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000531885397 504459750 /nfs/dbraw/zinc/45/97/50/504459750.db2.gz WZFCFKLBHZVATA-IBGZPJMESA-N 0 3 368.437 3.193 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CCCc2ccccc2)C1 ZINC000535624216 504488536 /nfs/dbraw/zinc/48/85/36/504488536.db2.gz MVAHALGFAKBCKE-LJQANCHMSA-N 0 3 369.465 3.491 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 ZINC000520868782 504599359 /nfs/dbraw/zinc/59/93/59/504599359.db2.gz WDQLLDYFEBTEOS-IBGZPJMESA-N 0 3 366.421 3.417 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H](C)Cn3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000520952106 504615419 /nfs/dbraw/zinc/61/54/19/504615419.db2.gz DTDJQKFDRRUXDH-CYBMUJFWSA-N 0 3 356.382 3.238 20 5 FGBDHN CC1=CCN(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000545857512 504617416 /nfs/dbraw/zinc/61/74/16/504617416.db2.gz WWTWRAWHDVKLEP-UHFFFAOYSA-N 0 3 358.467 3.460 20 5 FGBDHN CN(C)CCOc1cc(CNc2ccc([N+](=O)[O-])c3cccnc23)ccn1 ZINC000536498033 504748444 /nfs/dbraw/zinc/74/84/44/504748444.db2.gz QVRZXSXLLJEZCR-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000549418088 504817354 /nfs/dbraw/zinc/81/73/54/504817354.db2.gz UQKUURAPORHYAA-ZNMIVQPWSA-N 0 3 363.458 3.090 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000553153293 504839139 /nfs/dbraw/zinc/83/91/39/504839139.db2.gz MEDKQQOHVMREPT-RHSMWYFYSA-N 0 3 368.437 3.016 20 5 FGBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000556515873 504894261 /nfs/dbraw/zinc/89/42/61/504894261.db2.gz SHLWFVQDEZHNCL-RDTXWAMCSA-N 0 3 372.421 3.113 20 5 FGBDHN Cc1cccc(OC[C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000565476122 504899331 /nfs/dbraw/zinc/89/93/31/504899331.db2.gz JPZSRHUGMSUCQJ-OAHLLOKOSA-N 0 3 357.410 3.289 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCc3sc(Cl)cc32)c1 ZINC000565478970 504899630 /nfs/dbraw/zinc/89/96/30/504899630.db2.gz ZSMKOBQRADQZTA-BXUZGUMPSA-N 0 3 368.842 3.327 20 5 FGBDHN Cn1cc(CN2CC[C@H](c3cccnc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565482350 504900761 /nfs/dbraw/zinc/90/07/61/504900761.db2.gz ZZPKQJITGKLFCD-KRWDZBQOSA-N 0 3 363.421 3.380 20 5 FGBDHN CN(CCCn1c(=O)[nH]c2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000556823965 504986078 /nfs/dbraw/zinc/98/60/78/504986078.db2.gz BXVRADJOZCXCED-UHFFFAOYSA-N 0 3 354.410 3.215 20 5 FGBDHN Cc1ccccc1C(C)(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000550262654 505005838 /nfs/dbraw/zinc/00/58/38/505005838.db2.gz MCLRZHBSMQQJRP-UHFFFAOYSA-N 0 3 371.393 3.095 20 5 FGBDHN C[C@@H](C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000554129090 505100145 /nfs/dbraw/zinc/10/01/45/505100145.db2.gz YUSQNFBTWPLFMY-HNSFDTNUSA-N 0 3 363.433 3.026 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000563419749 505137627 /nfs/dbraw/zinc/13/76/27/505137627.db2.gz YUGIFAOOIDIRCR-PXNSSMCTSA-N 0 3 367.449 3.073 20 5 FGBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000551269181 505189955 /nfs/dbraw/zinc/18/99/55/505189955.db2.gz XRRRPKGEOYSYHW-SCLBCKFNSA-N 0 3 362.426 3.102 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000566502112 505190485 /nfs/dbraw/zinc/19/04/85/505190485.db2.gz XSPDNGASCFPUQX-HZPDHXFCSA-N 0 3 361.442 3.017 20 5 FGBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000551465802 505232869 /nfs/dbraw/zinc/23/28/69/505232869.db2.gz SAVZXWHOUJGYNC-CRAIPNDOSA-N 0 3 356.422 3.413 20 5 FGBDHN CSc1ccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C)cc1 ZINC000566750121 505263192 /nfs/dbraw/zinc/26/31/92/505263192.db2.gz CVQIZMLFUVHJHV-KRWDZBQOSA-N 0 3 371.466 3.330 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561550734 505375187 /nfs/dbraw/zinc/37/51/87/505375187.db2.gz APCZNBVUXPJKCX-KRWDZBQOSA-N 0 3 362.474 3.043 20 5 FGBDHN CN1CCC[C@]2(CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000555205696 505379181 /nfs/dbraw/zinc/37/91/81/505379181.db2.gz JXAXBIBWAYUCNQ-HNNXBMFYSA-N 0 3 354.248 3.279 20 5 FGBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)N(C)C)cc1 ZINC000561711116 505415328 /nfs/dbraw/zinc/41/53/28/505415328.db2.gz AOPACZKQZMFEOU-MRXNPFEDSA-N 0 3 359.426 3.419 20 5 FGBDHN CCN(CCN1CCCCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000561907089 505465713 /nfs/dbraw/zinc/46/57/13/505465713.db2.gz OFEPWFVRZQSKBW-UHFFFAOYSA-N 0 3 373.457 3.343 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](C3CC3)[C@]3(CO)CCCO3)o2)cc1 ZINC000552425185 505488634 /nfs/dbraw/zinc/48/86/34/505488634.db2.gz IGLJSGUZTGIUNU-WOJBJXKFSA-N 0 3 372.421 3.265 20 5 FGBDHN CC[C@@H]1c2ccccc2CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612077606 506424424 /nfs/dbraw/zinc/42/44/24/506424424.db2.gz ANZWDXZIJONKDD-FUHWJXTLSA-N 0 3 356.422 3.344 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596657441 506514192 /nfs/dbraw/zinc/51/41/92/506514192.db2.gz LVSAUZMRJLXPGR-QGZVFWFLSA-N 0 3 360.458 3.142 20 5 FGBDHN CC1(C)[C@H](c2ccc(F)cc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599623029 506535166 /nfs/dbraw/zinc/53/51/66/506535166.db2.gz UFJZARLFPNZHAK-KRWDZBQOSA-N 0 3 359.401 3.164 20 5 FGBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)C1CC1 ZINC000589584481 506590791 /nfs/dbraw/zinc/59/07/91/506590791.db2.gz MJZHTUGVFMMIAL-LJQANCHMSA-N 0 3 356.422 3.020 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596845389 506633861 /nfs/dbraw/zinc/63/38/61/506633861.db2.gz QLCBLUVQWGTCGU-MRXNPFEDSA-N 0 3 374.485 3.389 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593468895 506637097 /nfs/dbraw/zinc/63/70/97/506637097.db2.gz SMBCFVRJYDZOHP-UHFFFAOYSA-N 0 3 358.442 3.444 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000593520521 506667338 /nfs/dbraw/zinc/66/73/38/506667338.db2.gz HCOVMWNYXVBDBS-KBXCAEBGSA-N 0 3 371.412 3.056 20 5 FGBDHN Cc1cc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000583452975 506786226 /nfs/dbraw/zinc/78/62/26/506786226.db2.gz QOQHSKRMGZPHFH-INIZCTEOSA-N 0 3 360.389 3.467 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000604330497 506788960 /nfs/dbraw/zinc/78/89/60/506788960.db2.gz KPHSHKNKIJVVBV-HOTGVXAUSA-N 0 3 374.485 3.045 20 5 FGBDHN CNc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000604429605 506829012 /nfs/dbraw/zinc/82/90/12/506829012.db2.gz FRBGIPJDWJTYAP-UHFFFAOYSA-N 0 3 362.474 3.221 20 5 FGBDHN COCCC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000600188679 506833543 /nfs/dbraw/zinc/83/35/43/506833543.db2.gz NDUSPLXYLNMUTR-UHFFFAOYSA-N 0 3 358.442 3.244 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN(CCOCCO)C2CCC2)o1 ZINC000597205446 506833701 /nfs/dbraw/zinc/83/37/01/506833701.db2.gz FNTAMMWHWMRZRZ-UHFFFAOYSA-N 0 3 360.410 3.218 20 5 FGBDHN COc1cc(CN2CC[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000600214203 506850787 /nfs/dbraw/zinc/85/07/87/506850787.db2.gz MTEXTAMTFFGMKV-CQSZACIVSA-N 0 3 358.394 3.307 20 5 FGBDHN C[C@H](C(=O)NC[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600231049 506862463 /nfs/dbraw/zinc/86/24/63/506862463.db2.gz ZZWVZSIDPORYEQ-XJKSGUPXSA-N 0 3 363.433 3.361 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600469364 506962416 /nfs/dbraw/zinc/96/24/16/506962416.db2.gz AAJBHDCWCKSVBW-AWEZNQCLSA-N 0 3 371.359 3.360 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195969 506999027 /nfs/dbraw/zinc/99/90/27/506999027.db2.gz JORSQDDTSMHOGR-KBPBESRZSA-N 0 3 351.834 3.303 20 5 FGBDHN CC(C)O[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000613282239 507009455 /nfs/dbraw/zinc/00/94/55/507009455.db2.gz OFSBLGGADHDAKP-IAGOWNOFSA-N 0 3 350.415 3.048 20 5 FGBDHN COC(=O)[C@@H](C)CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000583947236 507065997 /nfs/dbraw/zinc/06/59/97/507065997.db2.gz FGYAWEJXUUZPMC-JTQLQIEISA-N 0 3 360.332 3.387 20 5 FGBDHN CN(C)CCN(CC1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000610024426 507076522 /nfs/dbraw/zinc/07/65/22/507076522.db2.gz UGMVLSOOZKAFBA-UHFFFAOYSA-N 0 3 362.474 3.248 20 5 FGBDHN O=C1C[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000583998782 507096303 /nfs/dbraw/zinc/09/63/03/507096303.db2.gz KDJDRAOVGLDECQ-QVKFZJNVSA-N 0 3 365.433 3.285 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597858146 507137926 /nfs/dbraw/zinc/13/79/26/507137926.db2.gz KKBQOKVMFYQTNC-LLVKDONJSA-N 0 3 359.348 3.216 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597859624 507137977 /nfs/dbraw/zinc/13/79/77/507137977.db2.gz WNSXMQZJMUPMQC-CYBMUJFWSA-N 0 3 351.422 3.001 20 5 FGBDHN CC1CCN(c2ccc(C(=O)N[C@H]3CCN(C)[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000610208516 507139556 /nfs/dbraw/zinc/13/95/56/507139556.db2.gz BELSAVGZTZRSMB-RDJZCZTQSA-N 0 3 374.485 3.044 20 5 FGBDHN CO[C@](C)(CO)CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594507272 507161394 /nfs/dbraw/zinc/16/13/94/507161394.db2.gz BYAVGVHIVDMUCP-PXAZEXFGSA-N 0 3 350.440 3.371 20 5 FGBDHN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000610272157 507170453 /nfs/dbraw/zinc/17/04/53/507170453.db2.gz DVBXLQGNLHJXGK-SJORKVTESA-N 0 3 362.426 3.289 20 5 FGBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2c(F)cccc2Cl)c1 ZINC000610271859 507170514 /nfs/dbraw/zinc/17/05/14/507170514.db2.gz GYLSEJWWVYDZLS-CYBMUJFWSA-N 0 3 352.793 3.328 20 5 FGBDHN COc1cccc([C@@H]2C[C@H]2CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000591266109 507175432 /nfs/dbraw/zinc/17/54/32/507175432.db2.gz GPXXATIEPVDOME-YOEHRIQHSA-N 0 3 370.405 3.268 20 5 FGBDHN Cc1cccc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610296613 507183216 /nfs/dbraw/zinc/18/32/16/507183216.db2.gz HXZOGWCBKZEEDL-KRWDZBQOSA-N 0 3 353.422 3.250 20 5 FGBDHN COC(=O)c1cc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000594610010 507208986 /nfs/dbraw/zinc/20/89/86/507208986.db2.gz RIJOVYHWSMURSO-UHFFFAOYSA-N 0 3 357.366 3.096 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCCc3c1cnn3CCO)CCCC2 ZINC000591348054 507214266 /nfs/dbraw/zinc/21/42/66/507214266.db2.gz ZCEBRCYVVNTNBZ-MOPGFXCFSA-N 0 3 370.453 3.218 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCc3c1cnn3CCO)CCCC2 ZINC000591348057 507214380 /nfs/dbraw/zinc/21/43/80/507214380.db2.gz ZCEBRCYVVNTNBZ-RTBURBONSA-N 0 3 370.453 3.218 20 5 FGBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610446039 507243388 /nfs/dbraw/zinc/24/33/88/507243388.db2.gz OFJLLSAEBAAFQE-KRWDZBQOSA-N 0 3 367.449 3.260 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279323 507320270 /nfs/dbraw/zinc/32/02/70/507320270.db2.gz DSSSEWLGQBOILR-YOEHRIQHSA-N 0 3 371.412 3.374 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1 ZINC000598220042 507323318 /nfs/dbraw/zinc/32/33/18/507323318.db2.gz OCTJNSTYYDKJHD-ZDUSSCGKSA-N 0 3 363.483 3.454 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CCOC2 ZINC000601303020 507328961 /nfs/dbraw/zinc/32/89/61/507328961.db2.gz BFPXRZAEGRUEDC-CQSZACIVSA-N 0 3 369.421 3.174 20 5 FGBDHN Cn1nc(C(F)(F)F)cc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594952820 507329908 /nfs/dbraw/zinc/32/99/08/507329908.db2.gz DMFIDWCMNLVNHO-UHFFFAOYSA-N 0 3 367.331 3.161 20 5 FGBDHN COc1ccc(CNCC2(C(=O)OC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC000594993132 507345020 /nfs/dbraw/zinc/34/50/20/507345020.db2.gz CJMHUKRARAETNL-UHFFFAOYSA-N 0 3 350.415 3.205 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000591768188 507353523 /nfs/dbraw/zinc/35/35/23/507353523.db2.gz LBABIJBRZSZDIM-IFXJQAMLSA-N 0 3 360.385 3.141 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccccc1OCCN(C)C ZINC000595015453 507355213 /nfs/dbraw/zinc/35/52/13/507355213.db2.gz NHFFBWHLZCQKLO-OAHLLOKOSA-N 0 3 373.453 3.395 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000595018524 507357443 /nfs/dbraw/zinc/35/74/43/507357443.db2.gz QZGZSGUXCHCMQV-ZFWWWQNUSA-N 0 3 362.401 3.244 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595079919 507382755 /nfs/dbraw/zinc/38/27/55/507382755.db2.gz HPJJGUBJDKUTAK-YEWWUXTCSA-N 0 3 358.442 3.399 20 5 FGBDHN COCc1csc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000595079309 507382881 /nfs/dbraw/zinc/38/28/81/507382881.db2.gz VXNWPXMLYBTZDP-HUUCEWRRSA-N 0 3 350.444 3.273 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2ccc(O)cc21 ZINC000595088634 507386698 /nfs/dbraw/zinc/38/66/98/507386698.db2.gz KNBJTQBDISQROP-XIKOKIGWSA-N 0 3 355.394 3.295 20 5 FGBDHN Cc1noc(CN(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595341532 507466488 /nfs/dbraw/zinc/46/64/88/507466488.db2.gz CEKCASPLQUFWSP-RHSMWYFYSA-N 0 3 358.442 3.376 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3[C@H]3CCCOC3)o2)cc1 ZINC000592134270 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FGBDHN COc1ccc(OCCN2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595786939 507685844 /nfs/dbraw/zinc/68/58/44/507685844.db2.gz CZANTUCWIOGXBV-QAPCUYQASA-N 0 3 364.442 3.263 20 5 FGBDHN O=C(CCN1CC[C@@H](Oc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595832258 507707337 /nfs/dbraw/zinc/70/73/37/507707337.db2.gz VJVRABNYKVPYKD-GOSISDBHSA-N 0 3 355.394 3.077 20 5 FGBDHN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000588104710 507764186 /nfs/dbraw/zinc/76/41/86/507764186.db2.gz XLKHYHNJWFCFSY-HZPDHXFCSA-N 0 3 362.474 3.042 20 5 FGBDHN CC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141788 608552177 /nfs/dbraw/zinc/55/21/77/608552177.db2.gz PICBSMVNYSNPBR-MRXNPFEDSA-N 0 3 356.361 3.155 20 5 FGBDHN COC(=O)C1CCN(CCCNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000747207176 722636672 /nfs/dbraw/zinc/63/66/72/722636672.db2.gz HOZYQIZAVTYWHG-UHFFFAOYSA-N 0 3 369.849 3.244 20 5 FGBDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000761216701 723133775 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ZINC000119962841 495278128 /nfs/dbraw/zinc/27/81/28/495278128.db2.gz OPFORLXRMXDHQX-NSHDSACASA-N 0 3 363.801 3.219 20 5 FGBDHN CCOC(=O)[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104661570 495295145 /nfs/dbraw/zinc/29/51/45/495295145.db2.gz GWCFXTMVGJVTBZ-HNNXBMFYSA-N 0 3 373.409 3.067 20 5 FGBDHN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000129846902 495304182 /nfs/dbraw/zinc/30/41/82/495304182.db2.gz XPOVBHMFGQHDBO-SFHVURJKSA-N 0 3 352.394 3.109 20 5 FGBDHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC)cc1 ZINC000120218945 495329631 /nfs/dbraw/zinc/32/96/31/495329631.db2.gz BYUYITOGVQWMCO-SFHVURJKSA-N 0 3 369.421 3.233 20 5 FGBDHN COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000124986506 495374454 /nfs/dbraw/zinc/37/44/54/495374454.db2.gz LLWLHICMVFWKIC-FZKQIMNGSA-N 0 3 360.410 3.305 20 5 FGBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000114642970 495403046 /nfs/dbraw/zinc/40/30/46/495403046.db2.gz 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C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120705266 495439629 /nfs/dbraw/zinc/43/96/29/495439629.db2.gz JUKBGZSIJONDEC-VQOXYXNASA-N 0 3 351.834 3.060 20 5 FGBDHN COC(=O)[C@@](C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000577746796 505784152 /nfs/dbraw/zinc/78/41/52/505784152.db2.gz HEPFCLCMROHPFQ-PXNSSMCTSA-N 0 3 372.396 3.442 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]3CN3CCOCC3)o2)cc1 ZINC000125631244 495474341 /nfs/dbraw/zinc/47/43/41/495474341.db2.gz HXBSQNHOASNITN-GOSISDBHSA-N 0 3 371.437 3.151 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000140118739 495489283 /nfs/dbraw/zinc/48/92/83/495489283.db2.gz CUAGLTZTEULDCF-AWEZNQCLSA-N 0 3 374.466 3.002 20 5 FGBDHN CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000158603911 495547505 /nfs/dbraw/zinc/54/75/05/495547505.db2.gz KYQPVQWWOXFMDB-INIZCTEOSA-N 0 3 369.425 3.118 20 5 FGBDHN CC(C)Oc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182396761 495548439 /nfs/dbraw/zinc/54/84/39/495548439.db2.gz OLTNNOQWGDJYSO-DOTOQJQBSA-N 0 3 374.437 3.473 20 5 FGBDHN COc1ccc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000145504240 495556158 /nfs/dbraw/zinc/55/61/58/495556158.db2.gz PRUMNTVLKDTYDN-UHFFFAOYSA-N 0 3 369.421 3.344 20 5 FGBDHN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000173500594 495560695 /nfs/dbraw/zinc/56/06/95/495560695.db2.gz AUMUKCYEEHJTOW-RYUDHWBXSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@@H](O)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000170691382 495568355 /nfs/dbraw/zinc/56/83/55/495568355.db2.gz ZPDMSHQGMCSLDR-GFCCVEGCSA-N 0 3 369.849 3.202 20 5 FGBDHN COc1ccccc1CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182617031 495637361 /nfs/dbraw/zinc/63/73/61/495637361.db2.gz RYIHSOCQVVDRJN-MRXNPFEDSA-N 0 3 356.426 3.117 20 5 FGBDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000182887081 495743099 /nfs/dbraw/zinc/74/30/99/495743099.db2.gz INYRCDAWBASFIE-OAHLLOKOSA-N 0 3 353.422 3.452 20 5 FGBDHN COc1ccc(OCCN[C@@H](C)c2cc(F)ccc2OC)c([N+](=O)[O-])c1 ZINC000179931017 495789574 /nfs/dbraw/zinc/78/95/74/495789574.db2.gz FYZURATVIHUJKE-LBPRGKRZSA-N 0 3 364.373 3.481 20 5 FGBDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183028612 495804087 /nfs/dbraw/zinc/80/40/87/495804087.db2.gz NHGBQBGOFARSOB-UWVGGRQHSA-N 0 3 358.236 3.320 20 5 FGBDHN CCc1[nH]nc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1[N+](=O)[O-] ZINC000171371185 495843283 /nfs/dbraw/zinc/84/32/83/495843283.db2.gz SFEPAEOGLKGMBV-UHFFFAOYSA-N 0 3 357.414 3.119 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C[C@@H]4CCOC4)CC3)o2)cc1 ZINC000180094162 495855861 /nfs/dbraw/zinc/85/58/61/495855861.db2.gz HSWJMJDBSUFDQV-INIZCTEOSA-N 0 3 371.437 3.009 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000177144695 495946453 /nfs/dbraw/zinc/94/64/53/495946453.db2.gz ANDMWCBKLMTJOT-WCQYABFASA-N 0 3 372.450 3.073 20 5 FGBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183575944 496036651 /nfs/dbraw/zinc/03/66/51/496036651.db2.gz GRRFYOPLLIRLDC-CQSZACIVSA-N 0 3 361.427 3.010 20 5 FGBDHN Cc1c(NC(=O)NCC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000180640000 496081588 /nfs/dbraw/zinc/08/15/88/496081588.db2.gz WZLNKDYZTFHVHF-UHFFFAOYSA-N 0 3 369.425 3.336 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000183901877 496154057 /nfs/dbraw/zinc/15/40/57/496154057.db2.gz OSYNKHUZVABJNE-MRXNPFEDSA-N 0 3 365.227 3.223 20 5 FGBDHN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CN1C1CC1 ZINC000174935542 496171745 /nfs/dbraw/zinc/17/17/45/496171745.db2.gz NAIMORYIJHGDKK-ZDUSSCGKSA-N 0 3 357.435 3.176 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cc3ccccc3s2)c1 ZINC000577975880 505832022 /nfs/dbraw/zinc/83/20/22/505832022.db2.gz YCKFIXCHSPWFTK-OAHLLOKOSA-N 0 3 358.419 3.339 20 5 FGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(CCN2CCOCC2)CC1 ZINC000569030228 505833029 /nfs/dbraw/zinc/83/30/29/505833029.db2.gz XHYHFRBTHPUFQO-UHFFFAOYSA-N 0 3 367.877 3.183 20 5 FGBDHN CCOc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000181144372 496286514 /nfs/dbraw/zinc/28/65/14/496286514.db2.gz NDPPAABGALEIQF-GOSISDBHSA-N 0 3 371.437 3.172 20 5 FGBDHN O=c1cc(CN2CCC(n3cncn3)CC2)c2c(ccc3ccccc32)o1 ZINC000156618302 496293910 /nfs/dbraw/zinc/29/39/10/496293910.db2.gz FEBWQNIGIPYIJO-UHFFFAOYSA-N 0 3 360.417 3.375 20 5 FGBDHN CC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000152915542 496295454 /nfs/dbraw/zinc/29/54/54/496295454.db2.gz YHAKBKPNAJFGFG-LBPRGKRZSA-N 0 3 363.801 3.219 20 5 FGBDHN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187244951 496358336 /nfs/dbraw/zinc/35/83/36/496358336.db2.gz CABQNTKRKCODFH-MGPUTAFESA-N 0 3 355.438 3.335 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157013526 496386506 /nfs/dbraw/zinc/38/65/06/496386506.db2.gz SSPLEEUXFHKDRI-CYBMUJFWSA-N 0 3 360.439 3.260 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157018551 496387446 /nfs/dbraw/zinc/38/74/46/496387446.db2.gz DBDDYPDUWGIXJD-CYBMUJFWSA-N 0 3 360.439 3.260 20 5 FGBDHN O=C(CN[C@H](CCO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000181512371 496426382 /nfs/dbraw/zinc/42/63/82/496426382.db2.gz YGFCZINHCGGCNG-OAHLLOKOSA-N 0 3 369.849 3.108 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccco1)C1CCCC1 ZINC000181561617 496446489 /nfs/dbraw/zinc/44/64/89/496446489.db2.gz ONEGDDLKYAXCAX-MRXNPFEDSA-N 0 3 360.410 3.372 20 5 FGBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153474894 496468149 /nfs/dbraw/zinc/46/81/49/496468149.db2.gz MZJCUSSGQSBZDF-OAHLLOKOSA-N 0 3 350.802 3.120 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000181831182 496563523 /nfs/dbraw/zinc/56/35/23/496563523.db2.gz VLCFWOMFNFCLDC-DZGCQCFKSA-N 0 3 350.440 3.193 20 5 FGBDHN CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC)cc1 ZINC000181831661 496563664 /nfs/dbraw/zinc/56/36/64/496563664.db2.gz YBIDTDYMSBCTLF-OALUTQOASA-N 0 3 369.421 3.450 20 5 FGBDHN CN(Cc1ccccc1)C[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000153934844 496629482 /nfs/dbraw/zinc/62/94/82/496629482.db2.gz VBJHOJWTKRGRCF-AWEZNQCLSA-N 0 3 350.802 3.120 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000153994534 496648630 /nfs/dbraw/zinc/64/86/30/496648630.db2.gz GQHZZYSOFCOLFC-HOCLYGCPSA-N 0 3 373.457 3.047 20 5 FGBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000165675955 496665613 /nfs/dbraw/zinc/66/56/13/496665613.db2.gz IKYWURHAMFETCO-INIZCTEOSA-N 0 3 370.453 3.224 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000191362054 496737979 /nfs/dbraw/zinc/73/79/79/496737979.db2.gz FSLMQSMKXVQVNB-UHFFFAOYSA-N 0 3 360.414 3.400 20 5 FGBDHN CN1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263952426 496771918 /nfs/dbraw/zinc/77/19/18/496771918.db2.gz XGQZANMJSPOFED-UHFFFAOYSA-N 0 3 354.410 3.353 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000247448237 496860174 /nfs/dbraw/zinc/86/01/74/496860174.db2.gz PZZWNPXNISHJFL-SUMWQHHRSA-N 0 3 374.466 3.173 20 5 FGBDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730464 496868206 /nfs/dbraw/zinc/86/82/06/496868206.db2.gz BHPHQBMOPPYTIP-MOPGFXCFSA-N 0 3 361.445 3.450 20 5 FGBDHN COCCCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000188926438 496949831 /nfs/dbraw/zinc/94/98/31/496949831.db2.gz SHEDRZDLWBOYIK-UHFFFAOYSA-N 0 3 368.817 3.339 20 5 FGBDHN COC(=O)c1cc(C(=O)Nc2ccc(C)cc2CN(C)C)cc([N+](=O)[O-])c1 ZINC000265064109 497040453 /nfs/dbraw/zinc/04/04/53/497040453.db2.gz NUXXYPASLTWIEF-UHFFFAOYSA-N 0 3 371.393 3.004 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000249000152 497149276 /nfs/dbraw/zinc/14/92/76/497149276.db2.gz QEOXFFMEXJARGV-KSSFIOAISA-N 0 3 356.401 3.375 20 5 FGBDHN COc1cccc(CN(CCN(C)C)c2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000189630108 497188176 /nfs/dbraw/zinc/18/81/76/497188176.db2.gz MYGQDYAKGXXMOA-UHFFFAOYSA-N 0 3 364.833 3.220 20 5 FGBDHN CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000249707723 497234155 /nfs/dbraw/zinc/23/41/55/497234155.db2.gz BOPYPFZNAWLFSR-QAPCUYQASA-N 0 3 374.437 3.426 20 5 FGBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000578271127 505901947 /nfs/dbraw/zinc/90/19/47/505901947.db2.gz FHCPNPAJHIVRJX-OAHLLOKOSA-N 0 3 373.428 3.428 20 5 FGBDHN C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000271641041 497407278 /nfs/dbraw/zinc/40/72/78/497407278.db2.gz RGEQGKJPKGYZQC-AWEZNQCLSA-N 0 3 356.426 3.217 20 5 FGBDHN C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000193655462 497438054 /nfs/dbraw/zinc/43/80/54/497438054.db2.gz KFAFNSUHLFRWDO-APPDUMDISA-N 0 3 363.364 3.294 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCN4CCCC[C@H]4C3)cs2)c1 ZINC000245553847 497452332 /nfs/dbraw/zinc/45/23/32/497452332.db2.gz GHAASTKVPHJACV-KRWDZBQOSA-N 0 3 358.467 3.388 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCNC[C@H]3c3ccncc3)o2)cc1 ZINC000262100095 497508419 /nfs/dbraw/zinc/50/84/19/497508419.db2.gz VMGNJTOSKDYNTA-IBGZPJMESA-N 0 3 364.405 3.396 20 5 FGBDHN COc1cc(CNC[C@@H](C)SC)c([N+](=O)[O-])cc1OCC(F)F ZINC000272237937 497573489 /nfs/dbraw/zinc/57/34/89/497573489.db2.gz AFHQZCKPASEMMR-SECBINFHSA-N 0 3 350.387 3.088 20 5 FGBDHN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000272549606 497659334 /nfs/dbraw/zinc/65/93/34/497659334.db2.gz QZURHCPWRSEUEE-QFBILLFUSA-N 0 3 371.485 3.128 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@@H](CCCN4C4CC4)C3)nc2c1 ZINC000246525332 497763759 /nfs/dbraw/zinc/76/37/59/497763759.db2.gz JCFDHCUQUIFYDH-GUYCJALGSA-N 0 3 356.426 3.185 20 5 FGBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299723788 497908738 /nfs/dbraw/zinc/90/87/38/497908738.db2.gz TVKUGBYPBKZDPX-MRXNPFEDSA-N 0 3 357.414 3.100 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccccc2)CC1 ZINC000299728427 497909935 /nfs/dbraw/zinc/90/99/35/497909935.db2.gz VUKIIBCGNZWILS-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN CNc1ccc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000581368377 505972556 /nfs/dbraw/zinc/97/25/56/505972556.db2.gz DEPWQFFJGRMWLX-MRXNPFEDSA-N 0 3 356.426 3.190 20 5 FGBDHN CCN1CCC[C@@H](CN(C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109238 /nfs/dbraw/zinc/10/92/38/498109238.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 0 3 371.485 3.233 20 5 FGBDHN CCN1CCN(Cc2ccc(CNc3cccc(F)c3[N+](=O)[O-])cc2)CC1 ZINC000301502487 498138757 /nfs/dbraw/zinc/13/87/57/498138757.db2.gz FMPLWQQGJVWZHJ-UHFFFAOYSA-N 0 3 372.444 3.484 20 5 FGBDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000330500031 498142821 /nfs/dbraw/zinc/14/28/21/498142821.db2.gz MLKZKCVQNHGROD-HZPDHXFCSA-N 0 3 365.499 3.010 20 5 FGBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000289437835 498146532 /nfs/dbraw/zinc/14/65/32/498146532.db2.gz STGPIGQLIMFTLU-HNAYVOBHSA-N 0 3 352.394 3.271 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289512913 498175442 /nfs/dbraw/zinc/17/54/42/498175442.db2.gz KXDWWWLHDNETHC-HKUYNNGSSA-N 0 3 373.453 3.265 20 5 FGBDHN C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296737073 498175973 /nfs/dbraw/zinc/17/59/73/498175973.db2.gz OOTBDDXZLGYUJB-BBRMVZONSA-N 0 3 355.394 3.167 20 5 FGBDHN C[C@@H](C(=O)NCCN1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330948107 498222980 /nfs/dbraw/zinc/22/29/80/498222980.db2.gz BSIUMJZTSGSTBP-CYBMUJFWSA-N 0 3 351.422 3.076 20 5 FGBDHN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000301703333 498232143 /nfs/dbraw/zinc/23/21/43/498232143.db2.gz UNMIAADZSPDFQQ-QWRGUYRKSA-N 0 3 357.252 3.285 20 5 FGBDHN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000301717706 498236944 /nfs/dbraw/zinc/23/69/44/498236944.db2.gz KYIKZZXEJIULQY-YJBOKZPZSA-N 0 3 359.401 3.029 20 5 FGBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000365015500 498256366 /nfs/dbraw/zinc/25/63/66/498256366.db2.gz RHKVFWHQALIIGI-MRXNPFEDSA-N 0 3 367.384 3.097 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000581540183 506011066 /nfs/dbraw/zinc/01/10/66/506011066.db2.gz OWNCXAMELBPZOX-GDZNZVCISA-N 0 3 363.483 3.119 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)c(Br)c1 ZINC000301872406 498305587 /nfs/dbraw/zinc/30/55/87/498305587.db2.gz KWRDMGCVSLXEPZ-ZDUSSCGKSA-N 0 3 370.247 3.023 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301919467 498328059 /nfs/dbraw/zinc/32/80/59/498328059.db2.gz KGRYYQUNQKKANI-UHFFFAOYSA-N 0 3 361.833 3.391 20 5 FGBDHN CCOc1cc(CN2CCC(Cc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000365192164 498343429 /nfs/dbraw/zinc/34/34/29/498343429.db2.gz VQEIPQQKPWWMSY-UHFFFAOYSA-N 0 3 358.442 3.182 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2noc(CN[C@H]3CCCC34CCOCC4)n2)c1 ZINC000282150484 498402574 /nfs/dbraw/zinc/40/25/74/498402574.db2.gz SPTPKHPKUKCPAQ-HNNXBMFYSA-N 0 3 358.398 3.084 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160691 498422689 /nfs/dbraw/zinc/42/26/89/498422689.db2.gz GXVLVAKBPQIMDI-OCCSQVGLSA-N 0 3 357.439 3.236 20 5 FGBDHN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293741572 498474292 /nfs/dbraw/zinc/47/42/92/498474292.db2.gz RLDMXVLZVBPGFA-LBPRGKRZSA-N 0 3 351.834 3.195 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000365455654 498474755 /nfs/dbraw/zinc/47/47/55/498474755.db2.gz DULCTXUIPXQKIU-OAHLLOKOSA-N 0 3 366.893 3.020 20 5 FGBDHN CCN1CCC(N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC000362908126 498577382 /nfs/dbraw/zinc/57/73/82/498577382.db2.gz XDURKJHBHQKZJL-UHFFFAOYSA-N 0 3 372.469 3.258 20 5 FGBDHN COc1ccc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000287064720 498612812 /nfs/dbraw/zinc/61/28/12/498612812.db2.gz VFIQGQDPVJAPEW-DYVFJYSZSA-N 0 3 360.410 3.305 20 5 FGBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000332253549 498619791 /nfs/dbraw/zinc/61/97/91/498619791.db2.gz CQRXXWHHNOSMNV-CYBMUJFWSA-N 0 3 371.359 3.314 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 ZINC000294228946 498627017 /nfs/dbraw/zinc/62/70/17/498627017.db2.gz RJXUPYOAICHTRV-MRXNPFEDSA-N 0 3 371.359 3.172 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc(F)cc4cccnc43)CC2)n1 ZINC000365817914 498653746 /nfs/dbraw/zinc/65/37/46/498653746.db2.gz DETCOLCBLIRYTN-UHFFFAOYSA-N 0 3 355.373 3.316 20 5 FGBDHN COc1ccc(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000311600234 498751699 /nfs/dbraw/zinc/75/16/99/498751699.db2.gz GPCLIDPGYVBQDM-QAPCUYQASA-N 0 3 355.438 3.356 20 5 FGBDHN COc1cc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC ZINC000295003560 498876406 /nfs/dbraw/zinc/87/64/06/498876406.db2.gz LNODOMYZILOMKP-NVXWUHKLSA-N 0 3 373.409 3.017 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000291438679 498940566 /nfs/dbraw/zinc/94/05/66/498940566.db2.gz HUGDZMKRFYKDEU-GXSJLCMTSA-N 0 3 360.241 3.456 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070247 499042147 /nfs/dbraw/zinc/04/21/47/499042147.db2.gz NBDXWGOXTLDQBX-SCLBCKFNSA-N 0 3 358.442 3.139 20 5 FGBDHN Cc1c(CN(C)C2CCN(Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000372582976 499149216 /nfs/dbraw/zinc/14/92/16/499149216.db2.gz JHVVPHQUJZKASN-UHFFFAOYSA-N 0 3 354.454 3.395 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1cccnc1)C1CCCCC1 ZINC000367149462 499154868 /nfs/dbraw/zinc/15/48/68/499154868.db2.gz VHLXGIMBRAZVFJ-IBGZPJMESA-N 0 3 356.426 3.063 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2cccs2)CC1 ZINC000370331873 499210609 /nfs/dbraw/zinc/21/06/09/499210609.db2.gz HYPZYEUOJGWSAA-UHFFFAOYSA-N 0 3 373.478 3.370 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 ZINC000370375673 499214717 /nfs/dbraw/zinc/21/47/17/499214717.db2.gz WTBOEZPVQJMUGK-YJBOKZPZSA-N 0 3 359.451 3.416 20 5 FGBDHN Cc1c(CC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000370816137 499258005 /nfs/dbraw/zinc/25/80/05/499258005.db2.gz JEJMDMOHPQMEOP-HNAYVOBHSA-N 0 3 373.478 3.316 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000371488136 499333194 /nfs/dbraw/zinc/33/31/94/499333194.db2.gz JDOIJTYYIOYOFS-BBRMVZONSA-N 0 3 363.483 3.262 20 5 FGBDHN O=C(NC1CCN(Cc2cccs2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000368805925 499334778 /nfs/dbraw/zinc/33/47/78/499334778.db2.gz OQVBMKSAJBWOMX-UHFFFAOYSA-N 0 3 351.453 3.112 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368928984 499347584 /nfs/dbraw/zinc/34/75/84/499347584.db2.gz CUONSRWURIWGBO-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN CN1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369570157 499420011 /nfs/dbraw/zinc/42/00/11/499420011.db2.gz QAKDMZBRXHEYOT-XNLPSNFCSA-N 0 3 371.462 3.479 20 5 FGBDHN CCNc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000379543551 499541717 /nfs/dbraw/zinc/54/17/17/499541717.db2.gz YCKXGNYQBKMSFT-UHFFFAOYSA-N 0 3 370.453 3.279 20 5 FGBDHN CNc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390713822 499555226 /nfs/dbraw/zinc/55/52/26/499555226.db2.gz BPEMVQUPLHELCA-INIZCTEOSA-N 0 3 368.437 3.031 20 5 FGBDHN COc1cccc(NCC2(O)CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397645306 499564627 /nfs/dbraw/zinc/56/46/27/499564627.db2.gz UTRWMHTWLANULZ-UHFFFAOYSA-N 0 3 371.437 3.042 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398121576 499566750 /nfs/dbraw/zinc/56/67/50/499566750.db2.gz HFOYKSPFXFIFKF-WMLDXEAASA-N 0 3 357.458 3.442 20 5 FGBDHN O=C([C@@H]1CC[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000376005042 499575688 /nfs/dbraw/zinc/57/56/88/499575688.db2.gz VEPFDAJMMOEZHI-KGLIPLIRSA-N 0 3 351.834 3.129 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H](c4nnc[nH]4)C3)o2)c1 ZINC000377245787 499673371 /nfs/dbraw/zinc/67/33/71/499673371.db2.gz OQECIEOULBPTFG-CQSZACIVSA-N 0 3 353.382 3.353 20 5 FGBDHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411195947 499709640 /nfs/dbraw/zinc/70/96/40/499709640.db2.gz WLZPKBPFHSZBIM-RBUKOAKNSA-N 0 3 353.422 3.076 20 5 FGBDHN COc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576434395 506156946 /nfs/dbraw/zinc/15/69/46/506156946.db2.gz DDAABJQZVZDDPF-QGZVFWFLSA-N 0 3 353.422 3.240 20 5 FGBDHN COc1ccccc1C(C)(C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411367904 499730347 /nfs/dbraw/zinc/73/03/47/499730347.db2.gz SXCUJXOFMFKSPJ-UHFFFAOYSA-N 0 3 357.410 3.457 20 5 FGBDHN CN1CCC2(CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377873107 499744111 /nfs/dbraw/zinc/74/41/11/499744111.db2.gz HLSMCQREPSBCGS-UHFFFAOYSA-N 0 3 352.822 3.340 20 5 FGBDHN C[C@H]1C[C@H](c2cccnc2)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532678 499751923 /nfs/dbraw/zinc/75/19/23/499751923.db2.gz ZMIRQKYDGNUNHF-KBXCAEBGSA-N 0 3 354.410 3.402 20 5 FGBDHN CCCN(CCN1CCCC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411723692 499783298 /nfs/dbraw/zinc/78/32/98/499783298.db2.gz XLXNVAIZMXHBQN-INIZCTEOSA-N 0 3 362.474 3.038 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415962698 499933969 /nfs/dbraw/zinc/93/39/69/499933969.db2.gz UKYHKLZFTKTASH-UHFFFAOYSA-N 0 3 372.400 3.086 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CNCCO3)cc1[N+](=O)[O-] ZINC000415972632 499935761 /nfs/dbraw/zinc/93/57/61/499935761.db2.gz LOKPTPCUAVMYGM-ZDUSSCGKSA-N 0 3 370.409 3.268 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416097235 499948087 /nfs/dbraw/zinc/94/80/87/499948087.db2.gz QOZYRNZVRJBHHL-CQSZACIVSA-N 0 3 365.499 3.408 20 5 FGBDHN CNC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421377085 500032836 /nfs/dbraw/zinc/03/28/36/500032836.db2.gz HKIDPQPMGXFIOJ-NSHDSACASA-N 0 3 363.801 3.076 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC000429330846 500053989 /nfs/dbraw/zinc/05/39/89/500053989.db2.gz DIFOPSHQCXNKCK-DLBZAZTESA-N 0 3 363.458 3.415 20 5 FGBDHN CC1(C)[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000425490387 500121674 /nfs/dbraw/zinc/12/16/74/500121674.db2.gz KXFUOXPAMAMJMO-BNOWGMLFSA-N 0 3 355.232 3.260 20 5 FGBDHN COc1ccccc1-n1nccc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000430034639 500183862 /nfs/dbraw/zinc/18/38/62/500183862.db2.gz NTJZYRXMYMXTLD-UHFFFAOYSA-N 0 3 352.394 3.121 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418228914 500253343 /nfs/dbraw/zinc/25/33/43/500253343.db2.gz FRPLXWLRVRWBCQ-SCLBCKFNSA-N 0 3 356.426 3.217 20 5 FGBDHN Cc1cccc(CN(CCN(C)C)C(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000427351028 500384716 /nfs/dbraw/zinc/38/47/16/500384716.db2.gz BNCNWMNJEZYLFH-UHFFFAOYSA-N 0 3 369.465 3.426 20 5 FGBDHN CC(C)(CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000431871885 500436905 /nfs/dbraw/zinc/43/69/05/500436905.db2.gz MZLDQTZUFKCQKK-UHFFFAOYSA-N 0 3 362.474 3.394 20 5 FGBDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000428791789 500558467 /nfs/dbraw/zinc/55/84/67/500558467.db2.gz GKRDDKXFASNIHN-FQEVSTJZSA-N 0 3 354.406 3.220 20 5 FGBDHN COC1([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)CCOCC1 ZINC000421036355 500561342 /nfs/dbraw/zinc/56/13/42/500561342.db2.gz QEZJEFWOBLBOMC-AWEZNQCLSA-N 0 3 352.431 3.056 20 5 FGBDHN CN(C)[C@H]1CCOc2c(Nc3nc4sccn4c3[N+](=O)[O-])cccc21 ZINC000432945841 500596066 /nfs/dbraw/zinc/59/60/66/500596066.db2.gz VAGCYQPQCOHJIU-LBPRGKRZSA-N 0 3 359.411 3.433 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](C)C1 ZINC000437183703 500611377 /nfs/dbraw/zinc/61/13/77/500611377.db2.gz MPAHEHBISVELLT-RYUDHWBXSA-N 0 3 373.375 3.464 20 5 FGBDHN CCc1ccc([C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000433052927 500614165 /nfs/dbraw/zinc/61/41/65/500614165.db2.gz NIKCHBAMCMDGIL-KRWDZBQOSA-N 0 3 353.422 3.246 20 5 FGBDHN COCCOc1ccccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540634 500620496 /nfs/dbraw/zinc/62/04/96/500620496.db2.gz DIMAMSJQEIYMOS-IAGOWNOFSA-N 0 3 374.441 3.090 20 5 FGBDHN COc1ccc(CNC[C@H](C)OC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000443007629 500662523 /nfs/dbraw/zinc/66/25/23/500662523.db2.gz APASQCUGOXDENV-AWEZNQCLSA-N 0 3 360.410 3.307 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]1c1ccccc1 ZINC000437575784 500663016 /nfs/dbraw/zinc/66/30/16/500663016.db2.gz GPLLTDXKXAUFON-QGZVFWFLSA-N 0 3 355.394 3.379 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C ZINC000443400381 500718692 /nfs/dbraw/zinc/71/86/92/500718692.db2.gz QJESRJMSDGPLQB-FOIQADDNSA-N 0 3 370.453 3.123 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Br ZINC000602569033 506220728 /nfs/dbraw/zinc/22/07/28/506220728.db2.gz PBZKHQAJXXRYFB-YUSALJHKSA-N 0 3 361.261 3.466 20 5 FGBDHN Cc1c(CC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439306010 500883620 /nfs/dbraw/zinc/88/36/20/500883620.db2.gz WNBDWUIQFYQUOY-IBGZPJMESA-N 0 3 367.449 3.179 20 5 FGBDHN Cc1ccc([C@]2(C)CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748190 500888962 /nfs/dbraw/zinc/88/89/62/500888962.db2.gz NZLSISWFHCRUBZ-GHTZIAJQSA-N 0 3 370.449 3.307 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CCN(CC4CCCCC4)CC3)nc2c1 ZINC000434834966 500899985 /nfs/dbraw/zinc/89/99/85/500899985.db2.gz XIENQOVVUSGBPJ-UHFFFAOYSA-N 0 3 358.442 3.434 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000602582808 506223312 /nfs/dbraw/zinc/22/33/12/506223312.db2.gz OPOCCDUFNXBWOE-ZFWWWQNUSA-N 0 3 360.332 3.041 20 5 FGBDHN C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444858736 500912399 /nfs/dbraw/zinc/91/23/99/500912399.db2.gz MCQGFTIHUNIUJX-ZDUSSCGKSA-N 0 3 370.409 3.322 20 5 FGBDHN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444858736 500912400 /nfs/dbraw/zinc/91/24/00/500912400.db2.gz MCQGFTIHUNIUJX-ZDUSSCGKSA-N 0 3 370.409 3.322 20 5 FGBDHN CCn1ccnc1[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449316341 500975003 /nfs/dbraw/zinc/97/50/03/500975003.db2.gz MRTZAYDLPAHYBJ-KXBFYZLASA-N 0 3 372.469 3.500 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000449337689 500981296 /nfs/dbraw/zinc/98/12/96/500981296.db2.gz SLMYUBMVLJGDLV-DZGCQCFKSA-N 0 3 357.385 3.060 20 5 FGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449360168 500986444 /nfs/dbraw/zinc/98/64/44/500986444.db2.gz HHQCVZPIKSFGKJ-MSOLQXFVSA-N 0 3 373.478 3.228 20 5 FGBDHN CCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000440308683 500995132 /nfs/dbraw/zinc/99/51/32/500995132.db2.gz SQRYZSOECNJSHA-MRXNPFEDSA-N 0 3 352.431 3.263 20 5 FGBDHN CC(C)c1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1[N+](=O)[O-] ZINC000449413651 500997494 /nfs/dbraw/zinc/99/74/94/500997494.db2.gz SKLUULSJFSBUCO-DLBZAZTESA-N 0 3 367.449 3.499 20 5 FGBDHN Cc1cccc(C)c1OCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484890 501013702 /nfs/dbraw/zinc/01/37/02/501013702.db2.gz IPMOLLFFWQFINH-INIZCTEOSA-N 0 3 356.426 3.172 20 5 FGBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000440651134 501034815 /nfs/dbraw/zinc/03/48/15/501034815.db2.gz PEIKCFDOFJIMMU-UHFFFAOYSA-N 0 3 360.380 3.052 20 5 FGBDHN CC[C@H](C)N1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000449623914 501045406 /nfs/dbraw/zinc/04/54/06/501045406.db2.gz LCIQWUWRENXAAG-LBPRGKRZSA-N 0 3 373.400 3.121 20 5 FGBDHN COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752486 501075737 /nfs/dbraw/zinc/07/57/37/501075737.db2.gz FWBBQEUSCGIHIU-QZTJIDSGSA-N 0 3 354.406 3.292 20 5 FGBDHN COC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781402 501084885 /nfs/dbraw/zinc/08/48/85/501084885.db2.gz XBQHGSVZJGREMD-HNNXBMFYSA-N 0 3 358.442 3.244 20 5 FGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@@H](C3CC3)C2)cc1Br ZINC000602616191 506233593 /nfs/dbraw/zinc/23/35/93/506233593.db2.gz IBXYUXXOGHJKOF-BXKDBHETSA-N 0 3 361.261 3.466 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCOc4c(F)cccc43)CC2)cn1 ZINC000602627750 506236430 /nfs/dbraw/zinc/23/64/30/506236430.db2.gz SDVDCCCXDQUPHA-KRWDZBQOSA-N 0 3 372.400 3.211 20 5 FGBDHN C[C@H](c1ccccc1)N1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849080 501173396 /nfs/dbraw/zinc/17/33/96/501173396.db2.gz LKXNBWRTDZJVIO-ZBFHGGJFSA-N 0 3 365.437 3.396 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000450810694 501212809 /nfs/dbraw/zinc/21/28/09/501212809.db2.gz MYZXHQXFDGCZQH-HNNXBMFYSA-N 0 3 357.458 3.078 20 5 FGBDHN COC1([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCOCC1 ZINC000453209593 501292024 /nfs/dbraw/zinc/29/20/24/501292024.db2.gz DJZHLAVCNXIXJK-LLVKDONJSA-N 0 3 362.348 3.287 20 5 FGBDHN CC(C)[C@H](CO)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000451589412 501331325 /nfs/dbraw/zinc/33/13/25/501331325.db2.gz AMFLKQBNCJCSPK-GUYCJALGSA-N 0 3 371.865 3.065 20 5 FGBDHN COCC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000451687633 501351177 /nfs/dbraw/zinc/35/11/77/501351177.db2.gz CYJKWZYODCARRQ-OAHLLOKOSA-N 0 3 372.347 3.178 20 5 FGBDHN CC[C@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526798 501466043 /nfs/dbraw/zinc/46/60/43/501466043.db2.gz YFRZBSLBQBSGCG-KDOFPFPSSA-N 0 3 360.458 3.172 20 5 FGBDHN C[C@@H]1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2ccccc2O1 ZINC000602675898 506256532 /nfs/dbraw/zinc/25/65/32/506256532.db2.gz ANPWEAWGTMGUAX-RDTXWAMCSA-N 0 3 368.437 3.461 20 5 FGBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000456684632 501576200 /nfs/dbraw/zinc/57/62/00/501576200.db2.gz CNXINROYQJKURA-UHFFFAOYSA-N 0 3 362.474 3.150 20 5 FGBDHN CNc1nc(C(=O)Nc2cccc(CN3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000454677231 501607563 /nfs/dbraw/zinc/60/75/63/501607563.db2.gz MYVLBVMKGQEEQD-UHFFFAOYSA-N 0 3 369.425 3.270 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457099619 501650506 /nfs/dbraw/zinc/65/05/06/501650506.db2.gz VNTAYRXTMZJRGJ-ZDUSSCGKSA-N 0 3 371.890 3.281 20 5 FGBDHN CN(C)Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(F)c1 ZINC000602691315 506262796 /nfs/dbraw/zinc/26/27/96/506262796.db2.gz RGCKKEQKFCQOBN-UHFFFAOYSA-N 0 3 373.432 3.271 20 5 FGBDHN C[C@@H](N[C@@H](C)CCCc1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459651089 501693193 /nfs/dbraw/zinc/69/31/93/501693193.db2.gz YLRXZFYHSDDZBV-LSDHHAIUSA-N 0 3 356.426 3.318 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)c1 ZINC000459684243 501698772 /nfs/dbraw/zinc/69/87/72/501698772.db2.gz UMKNBFNYXGKJHA-SJORKVTESA-N 0 3 369.421 3.293 20 5 FGBDHN O=C(CN[C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459789005 501714251 /nfs/dbraw/zinc/71/42/51/501714251.db2.gz RBZWXHWKYZNFBI-CDMKHQONSA-N 0 3 368.231 3.074 20 5 FGBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602710026 506270860 /nfs/dbraw/zinc/27/08/60/506270860.db2.gz VKOAKNCLENHWAY-VXMWWYGOSA-N 0 3 364.389 3.393 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCC3)CC2)nc1-c1ccc(F)cc1 ZINC000485395726 501808241 /nfs/dbraw/zinc/80/82/41/501808241.db2.gz PINXLMMQVBIMSB-UHFFFAOYSA-N 0 3 356.401 3.470 20 5 FGBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470870672 501836734 /nfs/dbraw/zinc/83/67/34/501836734.db2.gz AWWYYLBGWNGSJY-HNNXBMFYSA-N 0 3 371.466 3.405 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000485730188 501918012 /nfs/dbraw/zinc/91/80/12/501918012.db2.gz DOQARAIIYZBWOZ-OLZOCXBDSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@H](CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969273 502007345 /nfs/dbraw/zinc/00/73/45/502007345.db2.gz BMAGZRUXYHCOIZ-AEFFLSMTSA-N 0 3 370.453 3.471 20 5 FGBDHN C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000478671897 502052600 /nfs/dbraw/zinc/05/26/00/502052600.db2.gz URITXTKCPZBOOJ-JKSUJKDBSA-N 0 3 362.474 3.166 20 5 FGBDHN CCOC(=O)c1csc(CCNC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000468594343 502117773 /nfs/dbraw/zinc/11/77/73/502117773.db2.gz FWPCTEIODMGCAF-ALCCZGGFSA-N 0 3 361.423 3.074 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(C(=O)N(C)C)c1 ZINC000468646288 502136280 /nfs/dbraw/zinc/13/62/80/502136280.db2.gz WUPFVXHJQOVMDM-XNTDXEJSSA-N 0 3 353.422 3.490 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)Cc1cccc(F)c1 ZINC000468651918 502137298 /nfs/dbraw/zinc/13/72/98/502137298.db2.gz DYXIVFWJLMOPIK-XNTDXEJSSA-N 0 3 371.412 3.086 20 5 FGBDHN COc1ccc(CN2C[C@H](O)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813033 502143522 /nfs/dbraw/zinc/14/35/22/502143522.db2.gz XPFKSBAKPJXZDO-RDTXWAMCSA-N 0 3 372.421 3.138 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)N1Cc2ccccc2C1 ZINC000475512417 502198093 /nfs/dbraw/zinc/19/80/93/502198093.db2.gz NPBNTSYWVOYQML-OAHLLOKOSA-N 0 3 353.422 3.048 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@]1(CO)Cc1ccccc1 ZINC000475669927 502248188 /nfs/dbraw/zinc/24/81/88/502248188.db2.gz SVXDAKROMLDVGU-HXUWFJFHSA-N 0 3 356.422 3.173 20 5 FGBDHN COc1cc(CN(CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000483152137 502294032 /nfs/dbraw/zinc/29/40/32/502294032.db2.gz FLXSCLNFVNWACB-LLVKDONJSA-N 0 3 374.384 3.188 20 5 FGBDHN CCC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCN1CCOC ZINC000599064236 506304638 /nfs/dbraw/zinc/30/46/38/506304638.db2.gz LNEKEDJGQGPGMC-MRXNPFEDSA-N 0 3 358.442 3.080 20 5 FGBDHN COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000483402811 502376636 /nfs/dbraw/zinc/37/66/36/502376636.db2.gz HFJYYWFLYTUEOV-HIFRSBDPSA-N 0 3 352.431 3.249 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644543 502519325 /nfs/dbraw/zinc/51/93/25/502519325.db2.gz SZRWSRWXUNMDDC-RDTXWAMCSA-N 0 3 354.410 3.237 20 5 FGBDHN CNc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000462907461 502621543 /nfs/dbraw/zinc/62/15/43/502621543.db2.gz SHKAEOQEZGCMQD-SFHVURJKSA-N 0 3 368.437 3.203 20 5 FGBDHN COc1cc(C[C@@H](CO)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000484472608 502648401 /nfs/dbraw/zinc/64/84/01/502648401.db2.gz LBWAMJUZVQXXRI-GDBMZVCRSA-N 0 3 374.437 3.114 20 5 FGBDHN CN(CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000470136968 502673642 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CCCN(CCN1CCCC1)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000561191544 505276259 /nfs/dbraw/zinc/27/62/59/505276259.db2.gz GHRVVNIOEZSEMY-UHFFFAOYSA-N 0 3 363.458 3.007 20 5 FGBDHN CCc1cc(N2CCN(CC)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561357194 505323774 /nfs/dbraw/zinc/32/37/74/505323774.db2.gz UFAMJOMPRPSXPP-AWEZNQCLSA-N 0 3 355.442 3.145 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000567078918 505357091 /nfs/dbraw/zinc/35/70/91/505357091.db2.gz VFKJPUVPNLSJGR-OWCLPIDISA-N 0 3 366.483 3.317 20 5 FGBDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552140860 505413470 /nfs/dbraw/zinc/41/34/70/505413470.db2.gz BYJVRIVHEQHSRL-SJLPKXTDSA-N 0 3 357.454 3.345 20 5 FGBDHN CC(C)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000567479822 505476064 /nfs/dbraw/zinc/47/60/64/505476064.db2.gz NLFFNOHFTHYUII-UHFFFAOYSA-N 0 3 370.457 3.109 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cnn(C(C)C)c1 ZINC000561953928 505477374 /nfs/dbraw/zinc/47/73/74/505477374.db2.gz FCJSFMYSIUHLMJ-CQSZACIVSA-N 0 3 359.430 3.360 20 5 FGBDHN COc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000567501100 505482250 /nfs/dbraw/zinc/48/22/50/505482250.db2.gz BFMYNZWWAIGBEW-WMLDXEAASA-N 0 3 372.421 3.449 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCc2ccc(F)cc21 ZINC000564861755 505541948 /nfs/dbraw/zinc/54/19/48/505541948.db2.gz BMYOKRPIDXRTRQ-NVXWUHKLSA-N 0 3 360.385 3.141 20 5 FGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(CNC2CCCC2)nn1 ZINC000603215519 506458677 /nfs/dbraw/zinc/45/86/77/506458677.db2.gz ORBOPFBASALTQL-UHFFFAOYSA-N 0 3 359.430 3.054 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596656768 506514666 /nfs/dbraw/zinc/51/46/66/506514666.db2.gz FQLDSKWIARKLBA-MRXNPFEDSA-N 0 3 360.458 3.142 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000589508059 506573856 /nfs/dbraw/zinc/57/38/56/506573856.db2.gz ZGBIWILYDDORAO-VLXJIEOASA-N 0 3 370.405 3.424 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Cn4cnnc4)CC3)o2)cc1 ZINC000593676278 506725695 /nfs/dbraw/zinc/72/56/95/506725695.db2.gz ININGVWNEHYBDI-UHFFFAOYSA-N 0 3 367.409 3.359 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NCC[C@]2(O)CCCOC2)c2ccccc2)c1 ZINC000593720942 506746736 /nfs/dbraw/zinc/74/67/36/506746736.db2.gz NGRZHCINTNNJEM-VQTJNVASSA-N 0 3 356.422 3.205 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000590264718 506777017 /nfs/dbraw/zinc/77/70/17/506777017.db2.gz CSZQMSXNUQOOAF-UAFONNFLSA-N 0 3 374.441 3.259 20 5 FGBDHN CN(C)[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000609111668 506778975 /nfs/dbraw/zinc/77/89/75/506778975.db2.gz CBVKJLYRNBYCQN-LLVKDONJSA-N 0 3 365.231 3.046 20 5 FGBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@H]2N1 ZINC000597205347 506834097 /nfs/dbraw/zinc/83/40/97/506834097.db2.gz JFQRYXONWNOOOK-RHSMWYFYSA-N 0 3 371.462 3.424 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000604476235 506842555 /nfs/dbraw/zinc/84/25/55/506842555.db2.gz FLCISWWCNIAFHJ-UHFFFAOYSA-N 0 3 360.458 3.002 20 5 FGBDHN O=C1CCCN1C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597228846 506847541 /nfs/dbraw/zinc/84/75/41/506847541.db2.gz PNAVAAKUQMEKSR-HNNXBMFYSA-N 0 3 369.421 3.299 20 5 FGBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCN1C1CCCCC1 ZINC000600230113 506861212 /nfs/dbraw/zinc/86/12/12/506861212.db2.gz ZLIBXAIMYNDMGZ-GOSISDBHSA-N 0 3 370.453 3.073 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CSc3ccccc31)OCCO2 ZINC000590654574 506897793 /nfs/dbraw/zinc/89/77/93/506897793.db2.gz IUSLIOHUQSWESB-CYBMUJFWSA-N 0 3 358.419 3.345 20 5 FGBDHN CC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045745 506904338 /nfs/dbraw/zinc/90/43/38/506904338.db2.gz ZKOWCHUSJONYIC-WFASDCNBSA-N 0 3 355.822 3.124 20 5 FGBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)(F)CC1 ZINC000594044787 506904665 /nfs/dbraw/zinc/90/46/65/506904665.db2.gz RPAGRRZQSVUNJZ-LBPRGKRZSA-N 0 3 367.396 3.288 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566933 506924065 /nfs/dbraw/zinc/92/40/65/506924065.db2.gz ZIKDEUHRCUCNIH-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN CS(=O)(=O)c1cccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000590779423 506950107 /nfs/dbraw/zinc/95/01/07/506950107.db2.gz SVLCIMZCCSUTIP-GOSISDBHSA-N 0 3 374.462 3.109 20 5 FGBDHN CC(C)(C(=O)NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600471393 506962744 /nfs/dbraw/zinc/96/27/44/506962744.db2.gz SAWSNQSVWOOTJR-HNNXBMFYSA-N 0 3 363.433 3.145 20 5 FGBDHN Cc1ccsc1CN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000609770857 506994882 /nfs/dbraw/zinc/99/48/82/506994882.db2.gz HPDVGSRDSVHLRG-UHFFFAOYSA-N 0 3 361.423 3.395 20 5 FGBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H](c3ccco3)N3CCCCC3)c2c1 ZINC000609849307 507023101 /nfs/dbraw/zinc/02/31/01/507023101.db2.gz JRUNIVRVIMHTLV-QGZVFWFLSA-N 0 3 367.409 3.192 20 5 FGBDHN Cc1ccc(NCCCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610091191 507096708 /nfs/dbraw/zinc/09/67/08/507096708.db2.gz RRKLQHGWQVZGED-XHSDSOJGSA-N 0 3 362.474 3.083 20 5 FGBDHN Cc1ccc(NCCCNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610091189 507097084 /nfs/dbraw/zinc/09/70/84/507097084.db2.gz RRKLQHGWQVZGED-OAGGEKHMSA-N 0 3 362.474 3.083 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610100108 507099232 /nfs/dbraw/zinc/09/92/32/507099232.db2.gz AOUPGXKYOJVXOE-MRXNPFEDSA-N 0 3 362.474 3.091 20 5 FGBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597859284 507137561 /nfs/dbraw/zinc/13/75/61/507137561.db2.gz SRAFLHDAQOVPQL-GFCCVEGCSA-N 0 3 359.348 3.216 20 5 FGBDHN CO[C@@](C)(CO)CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594507277 507161026 /nfs/dbraw/zinc/16/10/26/507161026.db2.gz BYAVGVHIVDMUCP-YVEFUNNKSA-N 0 3 350.440 3.371 20 5 FGBDHN CO[C@@](C)(CO)CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000594507276 507161636 /nfs/dbraw/zinc/16/16/36/507161636.db2.gz BYAVGVHIVDMUCP-SJKOYZFVSA-N 0 3 350.440 3.371 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597922471 507175694 /nfs/dbraw/zinc/17/56/94/507175694.db2.gz DEGYSXRLJZOJMP-DGCLKSJQSA-N 0 3 369.849 3.005 20 5 FGBDHN NCc1cccc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000591309719 507195869 /nfs/dbraw/zinc/19/58/69/507195869.db2.gz ASYFGFNMYRXVAA-MRXNPFEDSA-N 0 3 354.410 3.465 20 5 FGBDHN CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040228 507229059 /nfs/dbraw/zinc/22/90/59/507229059.db2.gz NULBLCJYGXAPGY-INIZCTEOSA-N 0 3 368.437 3.213 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(Cl)c(Cl)c1 ZINC000594731105 507257850 /nfs/dbraw/zinc/25/78/50/507257850.db2.gz FOZJNVRZZUWHHY-GFCCVEGCSA-N 0 3 371.220 3.431 20 5 FGBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598195838 507307306 /nfs/dbraw/zinc/30/73/06/507307306.db2.gz UJOZNPLZYVRSAG-INIZCTEOSA-N 0 3 359.451 3.045 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)c1 ZINC000598195412 507308109 /nfs/dbraw/zinc/30/81/09/507308109.db2.gz MWAOHXMSAACVGN-GOSISDBHSA-N 0 3 367.449 3.292 20 5 FGBDHN CC(C)(C)c1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000591681471 507330054 /nfs/dbraw/zinc/33/00/54/507330054.db2.gz XJWWEFNWNZSKET-UHFFFAOYSA-N 0 3 354.410 3.185 20 5 FGBDHN CC(C)c1ccc(CNCC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594994698 507344859 /nfs/dbraw/zinc/34/48/59/507344859.db2.gz FDSDYYJYTCUUSP-LJQANCHMSA-N 0 3 350.459 3.376 20 5 FGBDHN Cn1cc(CNC[C@@H]2C(C)(C)C2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594991910 507344977 /nfs/dbraw/zinc/34/49/77/507344977.db2.gz NFEXIGBONBONJY-CQSZACIVSA-N 0 3 350.369 3.376 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000595010166 507352827 /nfs/dbraw/zinc/35/28/27/507352827.db2.gz HXUBBDVNKYMOHI-RYUDHWBXSA-N 0 3 361.364 3.138 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCc2sccc2C1 ZINC000595019503 507356485 /nfs/dbraw/zinc/35/64/85/507356485.db2.gz XCQRNELXUJTOHL-CYBMUJFWSA-N 0 3 361.467 3.374 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(S(C)(=O)=O)CCCCC1 ZINC000595079871 507382423 /nfs/dbraw/zinc/38/24/23/507382423.db2.gz ZZGDAOAFTNQMPA-AWEZNQCLSA-N 0 3 354.472 3.301 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595079916 507382589 /nfs/dbraw/zinc/38/25/89/507382589.db2.gz HPJJGUBJDKUTAK-JOQOYGCGSA-N 0 3 358.442 3.399 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000595094065 507388392 /nfs/dbraw/zinc/38/83/92/507388392.db2.gz BBTSHRGEWKZSPM-KFKAGJAMSA-N 0 3 359.470 3.197 20 5 FGBDHN O=[N+]([O-])c1ccc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)cn1 ZINC000584553459 507406700 /nfs/dbraw/zinc/40/67/00/507406700.db2.gz SVKMMXFWXGXEJJ-UHFFFAOYSA-N 0 3 353.426 3.265 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592155182 507512360 /nfs/dbraw/zinc/51/23/60/507512360.db2.gz LLQDRPSEIAPENU-WBVHZDCISA-N 0 3 353.422 3.294 20 5 FGBDHN O=[N+]([O-])c1ccccc1CCNCc1ccnn1CCc1ccccc1 ZINC000598635286 507526505 /nfs/dbraw/zinc/52/65/05/507526505.db2.gz RFOYJGLYSWQBNR-UHFFFAOYSA-N 0 3 350.422 3.366 20 5 FGBDHN COc1ccc(F)c(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000598678437 507548739 /nfs/dbraw/zinc/54/87/39/507548739.db2.gz YGKADUUCADNUPF-LBPRGKRZSA-N 0 3 361.373 3.249 20 5 FGBDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271263 507594709 /nfs/dbraw/zinc/59/47/09/507594709.db2.gz DCXPNVGRLJHNST-ZDUSSCGKSA-N 0 3 358.394 3.135 20 5 FGBDHN CCOc1cccc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000614977887 507712302 /nfs/dbraw/zinc/71/23/02/507712302.db2.gz OUVMBAAXUQFJQB-ZBFHGGJFSA-N 0 3 351.472 3.010 20 5 FGBDHN O=[N+]([O-])c1sc(CNCCCCn2ccnc2)cc1Br ZINC000602517988 507735277 /nfs/dbraw/zinc/73/52/77/507735277.db2.gz IZSLGXHSBQFGOY-UHFFFAOYSA-N 0 3 359.249 3.185 20 5 FGBDHN COCC1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000595908660 507737222 /nfs/dbraw/zinc/73/72/22/507737222.db2.gz JMQDYQVOEOULNH-UHFFFAOYSA-N 0 3 355.822 3.126 20 5 FGBDHN O=C(C[C@@H]1NCc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956924 507751311 /nfs/dbraw/zinc/75/13/11/507751311.db2.gz LZYVBGPTOGJQMZ-IBGZPJMESA-N 0 3 351.406 3.320 20 5 FGBDHN C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824606573 609313932 /nfs/dbraw/zinc/31/39/32/609313932.db2.gz QEBBUJSPPIKMTA-NSHDSACASA-N 0 3 372.816 3.322 20 5 FGBDHN C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824606573 609313934 /nfs/dbraw/zinc/31/39/34/609313934.db2.gz QEBBUJSPPIKMTA-NSHDSACASA-N 0 3 372.816 3.322 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000116350022 700592945 /nfs/dbraw/zinc/59/29/45/700592945.db2.gz XBWJBAXLRKITGU-CQSZACIVSA-N 0 3 359.813 3.423 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000160709947 705259877 /nfs/dbraw/zinc/25/98/77/705259877.db2.gz CAOQEHOURNDZSH-UHFFFAOYSA-N 0 3 351.790 3.045 20 5 FGBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619566990 714853460 /nfs/dbraw/zinc/85/34/60/714853460.db2.gz GINYGUHCWMGGSY-KGLIPLIRSA-N 0 3 351.472 3.018 20 5 FGBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCN(C2CCCC2)CC1 ZINC001165028035 721854724 /nfs/dbraw/zinc/85/47/24/721854724.db2.gz HUEGVJQOXULUDK-UHFFFAOYSA-N 0 3 361.833 3.256 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000742565827 722558112 /nfs/dbraw/zinc/55/81/12/722558112.db2.gz GZONIIHCCKUBQI-LLVKDONJSA-N 0 3 359.348 3.218 20 5 FGBDHN CCOC(=O)N[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000761527957 723162739 /nfs/dbraw/zinc/16/27/39/723162739.db2.gz VBEAGCFTMNYSNZ-CYBMUJFWSA-N 0 3 357.838 3.499 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000765661821 723531077 /nfs/dbraw/zinc/53/10/77/723531077.db2.gz JJNCAGAUFSDCMT-ZDUSSCGKSA-N 0 3 352.822 3.387 20 5 FGBDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271925 724127004 /nfs/dbraw/zinc/12/70/04/724127004.db2.gz OVNFKHUYOHHRDB-INIZCTEOSA-N 0 3 352.337 3.362 20 5 FGBDHN CCc1nn(C)c(Cl)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808452494 725201790 /nfs/dbraw/zinc/20/17/90/725201790.db2.gz JVHKLULMDXKEGC-UHFFFAOYSA-N 0 3 361.833 3.358 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](CO)Cc1ccco1 ZINC000811484239 725368517 /nfs/dbraw/zinc/36/85/17/725368517.db2.gz SHZPSWAPCLEIGC-JTQLQIEISA-N 0 3 359.209 3.435 20 5 FGBDHN CC(COC(=O)c1cc(Br)cc(Br)c1)[N+](=O)[O-] ZINC000813108383 726839931 /nfs/dbraw/zinc/83/99/31/726839931.db2.gz FOJKCCFLNWEHHC-LURJTMIESA-N 0 3 366.993 3.034 20 5 FGBDHN CC(COC(=O)c1ccc(-c2ccc(Br)cc2)n1C)[N+](=O)[O-] ZINC000813114807 726840523 /nfs/dbraw/zinc/84/05/23/726840523.db2.gz GXWLFRLWKGDLSK-SNVBAGLBSA-N 0 3 367.199 3.277 20 5 FGBDHN CC1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813409218 726871075 /nfs/dbraw/zinc/87/10/75/726871075.db2.gz FLJQGXHPGZZMHK-UHFFFAOYSA-N 0 3 360.241 3.363 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1F ZINC000821986387 729137704 /nfs/dbraw/zinc/13/77/04/729137704.db2.gz RNNLPFPGOCEXAO-NWDGAFQWSA-N 0 3 355.385 3.174 20 5 FGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CNCc2ccccc21 ZINC000826652041 729411638 /nfs/dbraw/zinc/41/16/38/729411638.db2.gz KITBGIUDWXKJPS-MRXNPFEDSA-N 0 3 359.813 3.094 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000831307530 729631960 /nfs/dbraw/zinc/63/19/60/729631960.db2.gz CKUOIZJONJXIHB-CABCVRRESA-N 0 3 367.833 3.124 20 5 FGBDHN CO[C@H](CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])C(F)(F)F ZINC000845882579 730906055 /nfs/dbraw/zinc/90/60/55/730906055.db2.gz WETNWYUPMBLUQZ-DYLAAIIWSA-N 0 3 353.268 3.043 20 5 FGBDHN O=[N+]([O-])c1cc(CN(C2CC2)C2(CO)CCC2)ccc1Br ZINC000852159847 731550034 /nfs/dbraw/zinc/55/00/34/731550034.db2.gz SXYKFZIYMJCUKK-UHFFFAOYSA-N 0 3 355.232 3.237 20 5 FGBDHN CCn1ncc(Cl)c1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000857036828 732093348 /nfs/dbraw/zinc/09/33/48/732093348.db2.gz SGVIKSCPYGXYJB-LKFCYVNXSA-N 0 3 355.753 3.259 20 5 FGBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000866258546 733329805 /nfs/dbraw/zinc/32/98/05/733329805.db2.gz UXKIOKPMQIVWEO-UHFFFAOYSA-N 0 3 355.385 3.081 20 5 FGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454652 733854208 /nfs/dbraw/zinc/85/42/08/733854208.db2.gz MJFUEBCPHIRGGY-RMIITELYSA-N 0 3 351.374 3.138 20 5 FGBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccc(OC(F)F)cc3F)C2)c1 ZINC000877730082 736710906 /nfs/dbraw/zinc/71/09/06/736710906.db2.gz LVNGAWYOZMIVHA-UHFFFAOYSA-N 0 3 356.304 3.025 20 5 FGBDHN CC(C)[C@@H](O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000878755945 736915277 /nfs/dbraw/zinc/91/52/77/736915277.db2.gz MZPFRMLDWORGIQ-LNLFQRSKSA-N 0 3 350.459 3.107 20 5 FGBDHN CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000893402956 742149650 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FGBDHN Cc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000071838598 494104575 /nfs/dbraw/zinc/10/45/75/494104575.db2.gz YAKZLDABIVBILE-UHFFFAOYSA-N 0 3 357.410 3.233 20 5 FGBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCN(CC2CCCCC2)CC1 ZINC000064126701 494104860 /nfs/dbraw/zinc/10/48/60/494104860.db2.gz BVJNIYFUVZOTLL-UHFFFAOYSA-N 0 3 370.453 3.414 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000085634336 494135074 /nfs/dbraw/zinc/13/50/74/494135074.db2.gz CSVGIIRXXCTIAA-UHFFFAOYSA-N 0 3 371.441 3.202 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000087026788 494163528 /nfs/dbraw/zinc/16/35/28/494163528.db2.gz RSRLRTVDNCBHAS-UHFFFAOYSA-N 0 3 367.449 3.262 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](CCO)c1ccccc1 ZINC000072772787 494248420 /nfs/dbraw/zinc/24/84/20/494248420.db2.gz KVANEVDCQTWVHU-LJQANCHMSA-N 0 3 371.437 3.287 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000088726191 494256893 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FGBDHN Cc1c(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000126368202 494726071 /nfs/dbraw/zinc/72/60/71/494726071.db2.gz DVNBTXWTPAVPGK-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000126387050 494732965 /nfs/dbraw/zinc/73/29/65/494732965.db2.gz AGZCUNHLQWRXGX-YOEHRIQHSA-N 0 3 360.410 3.084 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000075630976 494804711 /nfs/dbraw/zinc/80/47/11/494804711.db2.gz BXYITSBAVIIRDR-LJQANCHMSA-N 0 3 367.449 3.481 20 5 FGBDHN Cc1cc(C(=O)N(C)CC2CCN(c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000126703662 494823259 /nfs/dbraw/zinc/82/32/59/494823259.db2.gz NTVRAJXMLRMSPL-UHFFFAOYSA-N 0 3 368.437 3.287 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126776540 494837036 /nfs/dbraw/zinc/83/70/36/494837036.db2.gz MAYZJQXGIYCLKC-UHFFFAOYSA-N 0 3 360.389 3.330 20 5 FGBDHN Cc1ccc([C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000127438219 494944384 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LGUVFKMCFPALSR-HZPDHXFCSA-N 0 3 370.453 3.476 20 5 FGBDHN O=[N+]([O-])c1ccc(CSC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000128864341 495161439 /nfs/dbraw/zinc/16/14/39/495161439.db2.gz AQMJACLIFBVUCL-LJQANCHMSA-N 0 3 358.463 3.247 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515777 495181151 /nfs/dbraw/zinc/18/11/51/495181151.db2.gz ZOELKOBVYDJAEG-DOTOQJQBSA-N 0 3 359.470 3.449 20 5 FGBDHN Cc1ccccc1[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112374723 495182164 /nfs/dbraw/zinc/18/21/64/495182164.db2.gz TYLUHIZECMKECW-LJQANCHMSA-N 0 3 366.421 3.127 20 5 FGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112821179 495244751 /nfs/dbraw/zinc/24/47/51/495244751.db2.gz VHVVYQXAOJMFQF-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN CN(C)Cc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000135188105 495260306 /nfs/dbraw/zinc/26/03/06/495260306.db2.gz FBSQFFFYMPVYKH-UHFFFAOYSA-N 0 3 353.422 3.461 20 5 FGBDHN Cc1c(CN2CCC(c3nnc4ccccn43)CC2)cccc1[N+](=O)[O-] ZINC000104058360 495266675 /nfs/dbraw/zinc/26/66/75/495266675.db2.gz CZLNQIAEXLDPOW-UHFFFAOYSA-N 0 3 351.410 3.326 20 5 FGBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000113095826 495274613 /nfs/dbraw/zinc/27/46/13/495274613.db2.gz GZWMBFBICKQECD-UHFFFAOYSA-N 0 3 367.449 3.260 20 5 FGBDHN COc1cc(CN[C@@]2(C)CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000120136674 495314060 /nfs/dbraw/zinc/31/40/60/495314060.db2.gz UNBCYBNMFUISQZ-FQEVSTJZSA-N 0 3 372.421 3.451 20 5 FGBDHN COc1ccc(OC)c([C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000124970589 495372510 /nfs/dbraw/zinc/37/25/10/495372510.db2.gz FSPLMTXZSMLJSJ-FZKQIMNGSA-N 0 3 360.410 3.305 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120447679 495381277 /nfs/dbraw/zinc/38/12/77/495381277.db2.gz AKCZQBRBUNIMTF-OLZOCXBDSA-N 0 3 369.849 3.006 20 5 FGBDHN C[C@H](O)CCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000114771905 495423605 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(F)cc1 ZINC000140796270 495499485 /nfs/dbraw/zinc/49/94/85/495499485.db2.gz ZEYGBAODQXSOQY-SFHVURJKSA-N 0 3 362.401 3.384 20 5 FGBDHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccccc1[N+](=O)[O-] ZINC000107266447 495524587 /nfs/dbraw/zinc/52/45/87/495524587.db2.gz FFFULLBURDFKSK-UHFFFAOYSA-N 0 3 371.412 3.376 20 5 FGBDHN C[C@@H](C(=O)NCCCN(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182362927 495533613 /nfs/dbraw/zinc/53/36/13/495533613.db2.gz YOJUVTXQOVDBSC-OAHLLOKOSA-N 0 3 373.428 3.476 20 5 FGBDHN COc1cccc(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000185494075 495598215 /nfs/dbraw/zinc/59/82/15/495598215.db2.gz NWRBSHIEOOWCDP-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN CC1(C)C[C@H](NCCC(=O)Nc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000577815872 505796276 /nfs/dbraw/zinc/79/62/76/505796276.db2.gz GBZOFMLGNGOERQ-INIZCTEOSA-N 0 3 354.410 3.331 20 5 FGBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCc1nccs1 ZINC000159193897 495682112 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FGBDHN Cc1c([C@H](C)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cnn1C ZINC000183334412 495935880 /nfs/dbraw/zinc/93/58/80/495935880.db2.gz FZKDPOFBXMPDCL-LBPRGKRZSA-N 0 3 355.398 3.185 20 5 FGBDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155617749 496014370 /nfs/dbraw/zinc/01/43/70/496014370.db2.gz SLSYRFXNFVIEJU-OAHLLOKOSA-N 0 3 357.410 3.203 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171776289 496032714 /nfs/dbraw/zinc/03/27/14/496032714.db2.gz SMXIFUUXEGYTIC-SFHVURJKSA-N 0 3 362.474 3.389 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183594159 496041985 /nfs/dbraw/zinc/04/19/85/496041985.db2.gz SUSXDGVBJHLIEP-AWEZNQCLSA-N 0 3 369.425 3.337 20 5 FGBDHN Cc1c(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000155735450 496050944 /nfs/dbraw/zinc/05/09/44/496050944.db2.gz UQPORCRSXKNWDP-SFHVURJKSA-N 0 3 365.433 3.457 20 5 FGBDHN C[C@H]1CN(CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177501386 496087796 /nfs/dbraw/zinc/08/77/96/496087796.db2.gz RCHMQACUGRANDK-IRXDYDNUSA-N 0 3 361.486 3.306 20 5 FGBDHN C[C@H](NCc1ccccc1CN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161144335 496113691 /nfs/dbraw/zinc/11/36/91/496113691.db2.gz XFEWAFSYPCMFDK-INIZCTEOSA-N 0 3 369.465 3.402 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(Cn4ccnn4)CC3)o2)c1 ZINC000180820547 496158569 /nfs/dbraw/zinc/15/85/69/496158569.db2.gz ANTJXEPJSPAIPH-UHFFFAOYSA-N 0 3 367.409 3.359 20 5 FGBDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174931447 496169337 /nfs/dbraw/zinc/16/93/37/496169337.db2.gz ARJFBYLZTVPMGO-SFHVURJKSA-N 0 3 367.449 3.497 20 5 FGBDHN COc1ccc(COC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000177788499 496196506 /nfs/dbraw/zinc/19/65/06/496196506.db2.gz NIUVLPXCQUYCST-QAPCUYQASA-N 0 3 374.437 3.140 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nncn1-c1ccccc1)C1CC1 ZINC000152624660 496206724 /nfs/dbraw/zinc/20/67/24/496206724.db2.gz FKFXTFQQXOQYIC-GOSISDBHSA-N 0 3 363.421 3.286 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000152634951 496209586 /nfs/dbraw/zinc/20/95/86/496209586.db2.gz PDGKMYKUZRKPBI-CQSZACIVSA-N 0 3 365.499 3.367 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000152870205 496280672 /nfs/dbraw/zinc/28/06/72/496280672.db2.gz SWWSCFFHYHOENF-CQSZACIVSA-N 0 3 358.442 3.420 20 5 FGBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000172415192 496288567 /nfs/dbraw/zinc/28/85/67/496288567.db2.gz DWLHTGOGHSSKFE-UHFFFAOYSA-N 0 3 372.469 3.260 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000175202570 496289343 /nfs/dbraw/zinc/28/93/43/496289343.db2.gz ZGHFQOCKTBTNHB-MAUKXSAKSA-N 0 3 362.474 3.042 20 5 FGBDHN Cc1oc2ccccc2c1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578007328 505840363 /nfs/dbraw/zinc/84/03/63/505840363.db2.gz LOUJQCMDWDVKEL-HNNXBMFYSA-N 0 3 356.378 3.179 20 5 FGBDHN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000178539836 496492251 /nfs/dbraw/zinc/49/22/51/496492251.db2.gz BRCALWKWODZVKF-BEFAXECRSA-N 0 3 355.438 3.370 20 5 FGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181791048 496546330 /nfs/dbraw/zinc/54/63/30/496546330.db2.gz RMSCMZKKFRHLBM-NSHDSACASA-N 0 3 374.363 3.419 20 5 FGBDHN CC1(C)[C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000153914512 496622609 /nfs/dbraw/zinc/62/26/09/496622609.db2.gz RZWNUIHXDIEZSA-BPNCWPANSA-N 0 3 355.232 3.260 20 5 FGBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1COc2ccccc21 ZINC000179006119 496642959 /nfs/dbraw/zinc/64/29/59/496642959.db2.gz BHWJVOHTXYBTEN-PXAZEXFGSA-N 0 3 356.378 3.116 20 5 FGBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000185133232 496675542 /nfs/dbraw/zinc/67/55/42/496675542.db2.gz FQEVDLGBQMJBPR-KBPBESRZSA-N 0 3 351.422 3.074 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1OC1CCC1 ZINC000571994821 505865429 /nfs/dbraw/zinc/86/54/29/505865429.db2.gz ZBJUEQOEEXEVSW-INIZCTEOSA-N 0 3 372.421 3.056 20 5 FGBDHN COc1cc(C(=O)N(CCN(C)C)C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000191587657 496822782 /nfs/dbraw/zinc/82/27/82/496822782.db2.gz WRBQUAGUQASGKQ-UHFFFAOYSA-N 0 3 363.458 3.248 20 5 FGBDHN CC(=O)NC1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000264531043 496921891 /nfs/dbraw/zinc/92/18/91/496921891.db2.gz JCFSPWXEFZYVME-UHFFFAOYSA-N 0 3 357.410 3.392 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N2CCCCC2)C1 ZINC000264619603 496946063 /nfs/dbraw/zinc/94/60/63/496946063.db2.gz RGRARMRUVNLESO-PBHICJAKSA-N 0 3 371.441 3.266 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000269449382 496950110 /nfs/dbraw/zinc/95/01/10/496950110.db2.gz QUECDBOYFSTPSL-ZDUSSCGKSA-N 0 3 373.457 3.301 20 5 FGBDHN Cc1cccc(C[C@@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000189021612 496981415 /nfs/dbraw/zinc/98/14/15/496981415.db2.gz IKNATAXPGSNLDF-HNNXBMFYSA-N 0 3 366.364 3.198 20 5 FGBDHN Cc1ccccc1[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372483 496986372 /nfs/dbraw/zinc/98/63/72/496986372.db2.gz AALXFVOBLYKVSK-SJLPKXTDSA-N 0 3 356.422 3.480 20 5 FGBDHN C[C@@H](NCCC(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000189159512 497027697 /nfs/dbraw/zinc/02/76/97/497027697.db2.gz BIJRZNLCCNIRBS-OAHLLOKOSA-N 0 3 353.422 3.220 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000572092540 505886943 /nfs/dbraw/zinc/88/69/43/505886943.db2.gz HAHATRZKIYWFCU-XJKSGUPXSA-N 0 3 363.483 3.119 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC000265724925 497169738 /nfs/dbraw/zinc/16/97/38/497169738.db2.gz NXYVWWYSCGEEIE-GDBMZVCRSA-N 0 3 356.426 3.048 20 5 FGBDHN CSc1cccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249138607 497172679 /nfs/dbraw/zinc/17/26/79/497172679.db2.gz PCKDFSSVFYFZFQ-OLZOCXBDSA-N 0 3 351.472 3.167 20 5 FGBDHN COc1cc(CNCCC[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000278643969 497177132 /nfs/dbraw/zinc/17/71/32/497177132.db2.gz LSHDSMQTHHJDSS-HNNXBMFYSA-N 0 3 374.437 3.433 20 5 FGBDHN O=C(NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000192713506 497192458 /nfs/dbraw/zinc/19/24/58/497192458.db2.gz PSKHOZWXYAMJRZ-SFHVURJKSA-N 0 3 357.385 3.131 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000270954335 497232731 /nfs/dbraw/zinc/23/27/31/497232731.db2.gz FPLPNYZLBQUWNV-LBPRGKRZSA-N 0 3 351.472 3.119 20 5 FGBDHN CN(C)C(=O)[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000578279510 505903294 /nfs/dbraw/zinc/90/32/94/505903294.db2.gz UYZGLGSKSXNMCG-IBGZPJMESA-N 0 3 366.421 3.038 20 5 FGBDHN COc1ccccc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275632629 497388452 /nfs/dbraw/zinc/38/84/52/497388452.db2.gz QQCAYHGHIZDQAT-GFCCVEGCSA-N 0 3 361.373 3.422 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000245523842 497439414 /nfs/dbraw/zinc/43/94/14/497439414.db2.gz NGQQSLLSQUICMG-HUUCEWRRSA-N 0 3 355.442 3.382 20 5 FGBDHN CC(C)(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000261759448 497446779 /nfs/dbraw/zinc/44/67/79/497446779.db2.gz NXHUMXCCGLDBNN-FUHWJXTLSA-N 0 3 367.449 3.459 20 5 FGBDHN Cc1cc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000262518260 497568519 /nfs/dbraw/zinc/56/85/19/497568519.db2.gz UNHPWZKFWSQBCV-MRXNPFEDSA-N 0 3 356.426 3.039 20 5 FGBDHN COCCN1CCC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971490 497587719 /nfs/dbraw/zinc/58/77/19/497587719.db2.gz OCWDQURQZFJXKL-NHCUHLMSSA-N 0 3 369.465 3.385 20 5 FGBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246092488 497619485 /nfs/dbraw/zinc/61/94/85/497619485.db2.gz JBRMZYYVCVGLEB-KBPBESRZSA-N 0 3 371.359 3.312 20 5 FGBDHN COCC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000272552105 497660591 /nfs/dbraw/zinc/66/05/91/497660591.db2.gz MHQIASOSZSTSLM-BBRMVZONSA-N 0 3 361.398 3.272 20 5 FGBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000272579529 497668181 /nfs/dbraw/zinc/66/81/81/497668181.db2.gz XTTNGUWYRWKDOJ-MDZRGWNJSA-N 0 3 371.485 3.128 20 5 FGBDHN C[C@H](N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284969371 497957007 /nfs/dbraw/zinc/95/70/07/497957007.db2.gz FSIAZMNJAJMBOE-XJKSGUPXSA-N 0 3 369.425 3.134 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000364551561 498019782 /nfs/dbraw/zinc/01/97/82/498019782.db2.gz VQZWIXXQGGMLOU-GOSISDBHSA-N 0 3 367.449 3.166 20 5 FGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000289132251 498029080 /nfs/dbraw/zinc/02/90/80/498029080.db2.gz XWQFMCJLWZEBHH-BETUJISGSA-N 0 3 359.348 3.247 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285567902 498132453 /nfs/dbraw/zinc/13/24/53/498132453.db2.gz HMXJEEJSHJKVGW-YPMHNXCESA-N 0 3 352.822 3.339 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296814070 498206759 /nfs/dbraw/zinc/20/67/59/498206759.db2.gz ROVUVLDHPSRWLN-MRXNPFEDSA-N 0 3 352.822 3.198 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000301733459 498243232 /nfs/dbraw/zinc/24/32/32/498243232.db2.gz UEDJWYRVZIFVOY-IEBWSBKVSA-N 0 3 355.438 3.198 20 5 FGBDHN C[C@H]1CN(CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000301743161 498249121 /nfs/dbraw/zinc/24/91/21/498249121.db2.gz ZAQXFZJWNRDOQX-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000331550494 498370706 /nfs/dbraw/zinc/37/07/06/498370706.db2.gz NBGSKJFMBYTOAZ-JKIFEVAISA-N 0 3 363.483 3.161 20 5 FGBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000302182323 498431573 /nfs/dbraw/zinc/43/15/73/498431573.db2.gz RESAOVDZJBINPM-DOTOQJQBSA-N 0 3 370.453 3.488 20 5 FGBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302189692 498434856 /nfs/dbraw/zinc/43/48/56/498434856.db2.gz XWQIPLYXEGRWET-UHFFFAOYSA-N 0 3 356.426 3.465 20 5 FGBDHN O=C(CCN[C@@H](c1ccccc1)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000572713983 506034269 /nfs/dbraw/zinc/03/42/69/506034269.db2.gz QWFULBQHNRUJLP-QUCCMNQESA-N 0 3 369.421 3.433 20 5 FGBDHN Cc1nn(C)c(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000302209383 498444537 /nfs/dbraw/zinc/44/45/37/498444537.db2.gz BQZGAADSNPNICV-ZDUSSCGKSA-N 0 3 371.363 3.370 20 5 FGBDHN CCSc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000578859178 506038946 /nfs/dbraw/zinc/03/89/46/506038946.db2.gz JZMMADDXJUBSJT-MRXNPFEDSA-N 0 3 362.451 3.236 20 5 FGBDHN COc1ccc(C[C@](C)(O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000290229820 498475205 /nfs/dbraw/zinc/47/52/05/498475205.db2.gz ROQAUHZGPXPURA-XOBRGWDASA-N 0 3 374.437 3.256 20 5 FGBDHN Cc1ccc(CN[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000362362459 498503605 /nfs/dbraw/zinc/50/36/05/498503605.db2.gz MTNRQZFJJIOBOH-KSSFIOAISA-N 0 3 359.451 3.416 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000332142900 498577944 /nfs/dbraw/zinc/57/79/44/498577944.db2.gz HBFLBSZLDOCGRT-GOEBONIOSA-N 0 3 363.483 3.162 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000294088019 498584700 /nfs/dbraw/zinc/58/47/00/498584700.db2.gz KBTJENWVIHAOBD-INIZCTEOSA-N 0 3 371.359 3.172 20 5 FGBDHN COc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000332567425 498727319 /nfs/dbraw/zinc/72/73/19/498727319.db2.gz XVOAHSNDLAQKRD-UHFFFAOYSA-N 0 3 362.430 3.086 20 5 FGBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651821 498754173 /nfs/dbraw/zinc/75/41/73/498754173.db2.gz UTOWKQHTWZASQD-KBPBESRZSA-N 0 3 351.834 3.255 20 5 FGBDHN Cc1ccnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000312041894 498755532 /nfs/dbraw/zinc/75/55/32/498755532.db2.gz WRSUYWDPMSJULH-QZTJIDSGSA-N 0 3 352.438 3.257 20 5 FGBDHN CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294736231 498788905 /nfs/dbraw/zinc/78/89/05/498788905.db2.gz DQGABBNFIVQJFY-KRWDZBQOSA-N 0 3 358.442 3.242 20 5 FGBDHN COc1ccc(CNC2CCN(CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000291285550 498878391 /nfs/dbraw/zinc/87/83/91/498878391.db2.gz ZFRPABIMJNPEHH-UHFFFAOYSA-N 0 3 361.364 3.110 20 5 FGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135258 498920679 /nfs/dbraw/zinc/92/06/79/498920679.db2.gz LMMQDUVZOMEQBC-KXBFYZLASA-N 0 3 370.453 3.286 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C ZINC000291438682 498940726 /nfs/dbraw/zinc/94/07/26/498940726.db2.gz HUGDZMKRFYKDEU-KOLCDFICSA-N 0 3 360.241 3.456 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291510591 498970632 /nfs/dbraw/zinc/97/06/32/498970632.db2.gz XEDLORMDXYKBTF-RHSMWYFYSA-N 0 3 354.362 3.455 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000284169821 499062158 /nfs/dbraw/zinc/06/21/58/499062158.db2.gz WXLBNFWQTOTZFO-KRWDZBQOSA-N 0 3 359.426 3.005 20 5 FGBDHN CN1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)C1=O ZINC000372559328 499145892 /nfs/dbraw/zinc/14/58/92/499145892.db2.gz ZJPNBOLMNQRWQL-INIZCTEOSA-N 0 3 371.359 3.058 20 5 FGBDHN C[C@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000370172254 499192382 /nfs/dbraw/zinc/19/23/82/499192382.db2.gz JZUUEXWPIDOWFZ-XZJROXQQSA-N 0 3 358.398 3.426 20 5 FGBDHN CN1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370327961 499209875 /nfs/dbraw/zinc/20/98/75/499209875.db2.gz XPPVSQIWYFSSSB-BEFAXECRSA-N 0 3 373.478 3.398 20 5 FGBDHN CN1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370327962 499209895 /nfs/dbraw/zinc/20/98/95/499209895.db2.gz XPPVSQIWYFSSSB-DNVCBOLYSA-N 0 3 373.478 3.398 20 5 FGBDHN CCC[C@@H](N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370669348 499242260 /nfs/dbraw/zinc/24/22/60/499242260.db2.gz JJBQHFMONMNLEG-PKOBYXMFSA-N 0 3 368.437 3.335 20 5 FGBDHN Cc1c(CN2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000371545457 499339950 /nfs/dbraw/zinc/33/99/50/499339950.db2.gz VQLHMYDMELJMFL-KRWDZBQOSA-N 0 3 357.454 3.126 20 5 FGBDHN Cc1cccc(C(=O)N(C)C2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000368933577 499348275 /nfs/dbraw/zinc/34/82/75/499348275.db2.gz VSENQZOSNKBGFI-UHFFFAOYSA-N 0 3 354.410 3.039 20 5 FGBDHN COc1cc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723813 499359214 /nfs/dbraw/zinc/35/92/14/499359214.db2.gz NWAJNASUXRJJFU-MGPUTAFESA-N 0 3 371.437 3.092 20 5 FGBDHN COc1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000371723813 499359216 /nfs/dbraw/zinc/35/92/16/499359216.db2.gz NWAJNASUXRJJFU-MGPUTAFESA-N 0 3 371.437 3.092 20 5 FGBDHN CCCN1CCN(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000369158838 499372391 /nfs/dbraw/zinc/37/23/91/499372391.db2.gz ZDRKJCVGOGSLGA-KRWDZBQOSA-N 0 3 360.502 3.148 20 5 FGBDHN CN1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369544221 499415260 /nfs/dbraw/zinc/41/52/60/499415260.db2.gz RWLIMZFTQOLZOI-PBHICJAKSA-N 0 3 374.466 3.149 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369565134 499418531 /nfs/dbraw/zinc/41/85/31/499418531.db2.gz UGVXRSSTDNTANV-ZBEGNZNMSA-N 0 3 363.414 3.218 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000369596602 499424476 /nfs/dbraw/zinc/42/44/76/499424476.db2.gz JQSVNNMYRKNXSN-BFYDXBDKSA-N 0 3 364.442 3.128 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccc(Cl)cc3)CC2)n1 ZINC000369695396 499437178 /nfs/dbraw/zinc/43/71/78/499437178.db2.gz XGWUBYDDIQAYQH-UHFFFAOYSA-N 0 3 350.806 3.161 20 5 FGBDHN Cc1cc(N2CCC[C@H](NCc3ccc(Cl)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000373056046 499449142 /nfs/dbraw/zinc/44/91/42/499449142.db2.gz GXUPRXXXSKKGDN-AWEZNQCLSA-N 0 3 363.849 3.049 20 5 FGBDHN CNc1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406067257 499571850 /nfs/dbraw/zinc/57/18/50/499571850.db2.gz MBDBHALMFAIPAB-HXUWFJFHSA-N 0 3 368.437 3.031 20 5 FGBDHN CCC[C@H](N[C@H]1CCCc2c1cnn2CCO)c1cccc([N+](=O)[O-])c1 ZINC000376519210 499614997 /nfs/dbraw/zinc/61/49/97/499614997.db2.gz IFFOYGFMWCZYRE-ROUUACIJSA-N 0 3 358.442 3.292 20 5 FGBDHN CN(C)CC(C)(C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000411103630 499698505 /nfs/dbraw/zinc/69/85/05/499698505.db2.gz VLYOBORSECHPGN-UHFFFAOYSA-N 0 3 371.437 3.244 20 5 FGBDHN CC(C)Oc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000411142721 499702431 /nfs/dbraw/zinc/70/24/31/499702431.db2.gz GWHYTEPXQVJANH-GOSISDBHSA-N 0 3 371.437 3.415 20 5 FGBDHN COc1ccc(C2(NCCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000411462361 499743653 /nfs/dbraw/zinc/74/36/53/499743653.db2.gz QFSDOTWEPNMKEG-UHFFFAOYSA-N 0 3 355.394 3.211 20 5 FGBDHN COc1cc(CN[C@@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414496510 499799622 /nfs/dbraw/zinc/79/96/22/499799622.db2.gz IMGKGELCKBWEQJ-KOLCDFICSA-N 0 3 362.398 3.231 20 5 FGBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000412188566 499832059 /nfs/dbraw/zinc/83/20/59/499832059.db2.gz SURWEVCRRNOFJU-RBUKOAKNSA-N 0 3 371.437 3.190 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CNCCC3(F)F)s2)cc1 ZINC000415008007 499854674 /nfs/dbraw/zinc/85/46/74/499854674.db2.gz VLEYYBCNBUPGRM-HNNXBMFYSA-N 0 3 353.394 3.410 20 5 FGBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429155860 500015176 /nfs/dbraw/zinc/01/51/76/500015176.db2.gz CUVUUOHIFDKSNP-CQSZACIVSA-N 0 3 355.394 3.207 20 5 FGBDHN CC1(C)C[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000573317880 506170820 /nfs/dbraw/zinc/17/08/20/506170820.db2.gz ZVZOMHSKVWVLQT-PBHICJAKSA-N 0 3 356.422 3.347 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](c3nnc[n-]3)C2)s1 ZINC000425358775 500084664 /nfs/dbraw/zinc/08/46/64/500084664.db2.gz RMLXZCMKXYZQHD-LBPRGKRZSA-N 0 3 355.423 3.431 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](c3nnc[n-]3)C2)s1 ZINC000425358775 500084667 /nfs/dbraw/zinc/08/46/67/500084667.db2.gz RMLXZCMKXYZQHD-LBPRGKRZSA-N 0 3 355.423 3.431 20 5 FGBDHN C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000425491255 500122034 /nfs/dbraw/zinc/12/20/34/500122034.db2.gz ZPZUSDPCEVCMOK-GFCCVEGCSA-N 0 3 368.275 3.273 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421710406 500125372 /nfs/dbraw/zinc/12/53/72/500125372.db2.gz KKZTWRATDONEKG-CQSZACIVSA-N 0 3 351.472 3.262 20 5 FGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425966620 500217285 /nfs/dbraw/zinc/21/72/85/500217285.db2.gz LJIIBPAOHVEFBP-DYESRHJHSA-N 0 3 369.465 3.225 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425966621 500217467 /nfs/dbraw/zinc/21/74/67/500217467.db2.gz LJIIBPAOHVEFBP-LAUBAEHRSA-N 0 3 369.465 3.225 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431778742 500424072 /nfs/dbraw/zinc/42/40/72/500424072.db2.gz MVYXQVJHTADZHQ-GJZGRUSLSA-N 0 3 362.474 3.250 20 5 FGBDHN COc1ccc([C@@H](Cc2ccccc2)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000579532212 506196440 /nfs/dbraw/zinc/19/64/40/506196440.db2.gz QOOUUGHBWVQLCX-HXUWFJFHSA-N 0 3 366.421 3.374 20 5 FGBDHN C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000420594320 500475876 /nfs/dbraw/zinc/47/58/76/500475876.db2.gz DIBVCCWEPQFIKT-GOEBONIOSA-N 0 3 368.437 3.159 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420601205 500476101 /nfs/dbraw/zinc/47/61/01/500476101.db2.gz NBRUYKDIWNEJIX-AWEZNQCLSA-N 0 3 368.437 3.331 20 5 FGBDHN CN(C[C@@H]1CCCN1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420637956 500481007 /nfs/dbraw/zinc/48/10/07/500481007.db2.gz PSGLICAEPDDPKD-VIFPVBQESA-N 0 3 368.306 3.174 20 5 FGBDHN COc1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1OC ZINC000447533244 500618809 /nfs/dbraw/zinc/61/88/09/500618809.db2.gz XDRRCWWKGQFYSH-HUUCEWRRSA-N 0 3 360.414 3.082 20 5 FGBDHN COc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1OC ZINC000447533242 500618830 /nfs/dbraw/zinc/61/88/30/500618830.db2.gz XDRRCWWKGQFYSH-CABCVRRESA-N 0 3 360.414 3.082 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(OCC3CC3)nc2)n1 ZINC000447541990 500621003 /nfs/dbraw/zinc/62/10/03/500621003.db2.gz HSYXLYPPOSIFOM-IAGOWNOFSA-N 0 3 371.441 3.249 20 5 FGBDHN Cc1ccc2[nH]c(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000447563966 500625813 /nfs/dbraw/zinc/62/58/13/500625813.db2.gz TVRRNPKOQUYETH-GOEBONIOSA-N 0 3 354.414 3.250 20 5 FGBDHN Cc1ccc2nc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563966 500625814 /nfs/dbraw/zinc/62/58/14/500625814.db2.gz TVRRNPKOQUYETH-GOEBONIOSA-N 0 3 354.414 3.250 20 5 FGBDHN CC1(C)C[C@@H](NCCNC(=O)c2ccccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433154906 500635866 /nfs/dbraw/zinc/63/58/66/500635866.db2.gz VLJGKTSDBLUSMY-GOSISDBHSA-N 0 3 371.412 3.476 20 5 FGBDHN CCn1cc([C@H]2OCCC[C@@H]2NC/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000433933828 500766967 /nfs/dbraw/zinc/76/69/67/500766967.db2.gz XGMQTISTTWBCFD-MGFNVVHASA-N 0 3 356.426 3.334 20 5 FGBDHN O=[N+]([O-])c1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)nc1 ZINC000443941246 500781424 /nfs/dbraw/zinc/78/14/24/500781424.db2.gz OBNHMGDFVUWQEI-UHFFFAOYSA-N 0 3 360.389 3.084 20 5 FGBDHN CCN(CC)[C@@H](C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444010942 500792058 /nfs/dbraw/zinc/79/20/58/500792058.db2.gz IGFVIIUKOUHYQR-ZDUSSCGKSA-N 0 3 369.440 3.281 20 5 FGBDHN O=C(NC[C@H]1CCCCN1C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434359569 500831830 /nfs/dbraw/zinc/83/18/30/500831830.db2.gz WQNOMRFQQYMJEL-LJQANCHMSA-N 0 3 372.469 3.286 20 5 FGBDHN CCc1ccc([C@@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000439128534 500860444 /nfs/dbraw/zinc/86/04/44/500860444.db2.gz FKCLAGLDZGQXRQ-QGZVFWFLSA-N 0 3 372.425 3.054 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434946743 500914582 /nfs/dbraw/zinc/91/45/82/500914582.db2.gz LQLXKZPTWYUNFM-UHFFFAOYSA-N 0 3 370.787 3.490 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000445114553 500945744 /nfs/dbraw/zinc/94/57/44/500945744.db2.gz OVRAMUHFFUFSGW-OAHLLOKOSA-N 0 3 362.474 3.385 20 5 FGBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC000449239782 500955500 /nfs/dbraw/zinc/95/55/00/500955500.db2.gz WRQBJXXAEYQQJN-KEYYUXOJSA-N 0 3 354.472 3.173 20 5 FGBDHN C[C@H](Cn1cc(Br)cn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348629 500983912 /nfs/dbraw/zinc/98/39/12/500983912.db2.gz MKFZPRUOWGQDJM-MNOVXSKESA-N 0 3 353.220 3.293 20 5 FGBDHN COC[C@@](C)(O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449383853 500990381 /nfs/dbraw/zinc/99/03/81/500990381.db2.gz KPDJDVWYMVIXAI-KRWDZBQOSA-N 0 3 368.817 3.385 20 5 FGBDHN COc1cc(OC)c(C[C@@H](C)NCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000449470373 501011001 /nfs/dbraw/zinc/01/10/01/501011001.db2.gz XGKUUKNFOVPPGL-CYBMUJFWSA-N 0 3 360.410 3.341 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000449505854 501020125 /nfs/dbraw/zinc/02/01/25/501020125.db2.gz YBXLKIJVHAKMJJ-HNNXBMFYSA-N 0 3 350.369 3.436 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000449532189 501027257 /nfs/dbraw/zinc/02/72/57/501027257.db2.gz DAIHJWUMPCZLAI-APWZRJJASA-N 0 3 357.410 3.398 20 5 FGBDHN CCN1CCC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436254892 501096164 /nfs/dbraw/zinc/09/61/64/501096164.db2.gz UZTQNYQLHBQSCK-OAHLLOKOSA-N 0 3 363.461 3.143 20 5 FGBDHN COc1ccc(OCCN(C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000441244513 501107840 /nfs/dbraw/zinc/10/78/40/501107840.db2.gz KBQONIDGAVJTIN-UHFFFAOYSA-N 0 3 360.410 3.301 20 5 FGBDHN CC[C@@H](C)N(C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436336838 501110014 /nfs/dbraw/zinc/11/00/14/501110014.db2.gz IHHCNDJCUNVNFI-CQSZACIVSA-N 0 3 351.450 3.141 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441283454 501113863 /nfs/dbraw/zinc/11/38/63/501113863.db2.gz YRWCPWAEQTVDIY-BMFZPTHFSA-N 0 3 372.425 3.454 20 5 FGBDHN CN(C)CC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000449880287 501115929 /nfs/dbraw/zinc/11/59/29/501115929.db2.gz NCQBQJBLQIERFY-KRWDZBQOSA-N 0 3 363.458 3.040 20 5 FGBDHN CN(C)CCOc1cnccc1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450530234 501146973 /nfs/dbraw/zinc/14/69/73/501146973.db2.gz YLFSDGWVFODJAV-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2CN(C)C1=O ZINC000598942924 506236749 /nfs/dbraw/zinc/23/67/49/506236749.db2.gz QXCAABKAVYPXPC-IFXJQAMLSA-N 0 3 353.422 3.219 20 5 FGBDHN CC(C)n1ncc2c1C[C@H](NCc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000602630473 506238506 /nfs/dbraw/zinc/23/85/06/506238506.db2.gz BXGRRHTVJMSDPD-CYBMUJFWSA-N 0 3 355.398 3.161 20 5 FGBDHN COc1ccc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000436719254 501196543 /nfs/dbraw/zinc/19/65/43/501196543.db2.gz CNKLHIREJGQTFP-INIZCTEOSA-N 0 3 369.421 3.127 20 5 FGBDHN COC(=O)c1c(Cl)c(N[C@H]2CCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596076320 506243658 /nfs/dbraw/zinc/24/36/58/506243658.db2.gz PDNSFPWRRZMNJS-JQWIXIFHSA-N 0 3 353.806 3.074 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3[C@@H]3CCC[C@H]3O)co2)cc1 ZINC000451421246 501288825 /nfs/dbraw/zinc/28/88/25/501288825.db2.gz OCIMCIVGMOVEAX-RCCFBDPRSA-N 0 3 357.410 3.375 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccc(C(F)(F)F)n2)n1 ZINC000453258133 501301590 /nfs/dbraw/zinc/30/15/90/501301590.db2.gz AFLCZBNMKQUICD-OLZOCXBDSA-N 0 3 369.347 3.479 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C(C)C)[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451601700 501334658 /nfs/dbraw/zinc/33/46/58/501334658.db2.gz UXAYEHLYMLHBRH-HDMKZQKVSA-N 0 3 365.474 3.109 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453455980 501337137 /nfs/dbraw/zinc/33/71/37/501337137.db2.gz UULNSEVYTNRXFH-QLFBSQMISA-N 0 3 363.483 3.209 20 5 FGBDHN COc1ccccc1[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])N1CCCCC1 ZINC000596086643 506249762 /nfs/dbraw/zinc/24/97/62/506249762.db2.gz VGAKZJWNNHEFDD-INIZCTEOSA-N 0 3 372.425 3.343 20 5 FGBDHN COc1cccc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458222750 501397422 /nfs/dbraw/zinc/39/74/22/501397422.db2.gz VNWSZDKZHNPWCQ-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN COc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000458229737 501399221 /nfs/dbraw/zinc/39/92/21/501399221.db2.gz QLTBSJBHHDPUGN-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3c(F)cccc3F)CC2)n1 ZINC000451956239 501407855 /nfs/dbraw/zinc/40/78/55/501407855.db2.gz GIOMDPXXMWUCPY-UHFFFAOYSA-N 0 3 350.369 3.024 20 5 FGBDHN CN1CCC[C@@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458420620 501440876 /nfs/dbraw/zinc/44/08/76/501440876.db2.gz KUURWJXGGRPAJV-HXUWFJFHSA-N 0 3 374.485 3.045 20 5 FGBDHN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456318013 501496244 /nfs/dbraw/zinc/49/62/44/501496244.db2.gz ZRCVAZGVSRAYMG-MRXNPFEDSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H](NC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882601 501551716 /nfs/dbraw/zinc/55/17/16/501551716.db2.gz BPQLGXLDPOPBJT-XSWJXKHESA-N 0 3 360.458 3.028 20 5 FGBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000457085462 501647335 /nfs/dbraw/zinc/64/73/35/501647335.db2.gz HKRVOZMINQAHMI-LBPRGKRZSA-N 0 3 359.348 3.168 20 5 FGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706791 506266082 /nfs/dbraw/zinc/26/60/82/506266082.db2.gz JNZPHMNAMXVNCV-QGZVFWFLSA-N 0 3 363.421 3.249 20 5 FGBDHN Cc1ccc(C(C)(C)CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000598992226 506266964 /nfs/dbraw/zinc/26/69/64/506266964.db2.gz YQKFFCAACJTOOJ-UHFFFAOYSA-N 0 3 357.410 3.137 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cnccc2C(F)(F)F)n1 ZINC000596118169 506267476 /nfs/dbraw/zinc/26/74/76/506267476.db2.gz RJXTWMUKYWOULI-KBPBESRZSA-N 0 3 369.347 3.479 20 5 FGBDHN CCOC[C@@H]1CCCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000459679113 501697703 /nfs/dbraw/zinc/69/77/03/501697703.db2.gz SDQFWRFWIRZYPG-SFHVURJKSA-N 0 3 358.442 3.386 20 5 FGBDHN C[C@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000477621165 501740731 /nfs/dbraw/zinc/74/07/31/501740731.db2.gz HKARJQPZDPFBRW-MAUKXSAKSA-N 0 3 368.437 3.057 20 5 FGBDHN Cc1ccc(Sc2ccc(CN[C@@H]3CCOC[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000599010777 506276877 /nfs/dbraw/zinc/27/68/77/506276877.db2.gz DPFIOHUHTYHBLN-SJLPKXTDSA-N 0 3 374.462 3.294 20 5 FGBDHN COc1cc(CNC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599008160 506274952 /nfs/dbraw/zinc/27/49/52/506274952.db2.gz VEVBOYRXUXEMMI-WOVMCDHWSA-N 0 3 372.421 3.043 20 5 FGBDHN COC(=O)c1cc(N[C@H]2CCN(Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000474772206 501948150 /nfs/dbraw/zinc/94/81/50/501948150.db2.gz DPQGIHBLGLYMJS-INIZCTEOSA-N 0 3 369.421 3.376 20 5 FGBDHN CCO[C@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000482141697 501988159 /nfs/dbraw/zinc/98/81/59/501988159.db2.gz KSJNRDGIHSNYJL-SJORKVTESA-N 0 3 363.458 3.131 20 5 FGBDHN C[C@@H](CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969280 502007639 /nfs/dbraw/zinc/00/76/39/502007639.db2.gz BMAGZRUXYHCOIZ-FUHWJXTLSA-N 0 3 370.453 3.471 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475089663 502053773 /nfs/dbraw/zinc/05/37/73/502053773.db2.gz OEVNWUCUGKMXET-BPUTZDHNSA-N 0 3 362.426 3.157 20 5 FGBDHN COc1c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116942 502066265 /nfs/dbraw/zinc/06/62/65/502066265.db2.gz GQNSVWBMVAXJHT-ZBFHGGJFSA-N 0 3 369.421 3.169 20 5 FGBDHN CO[C@]1(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOC1 ZINC000461419804 502106795 /nfs/dbraw/zinc/10/67/95/502106795.db2.gz ABPWJYXYUFBLJJ-FQEVSTJZSA-N 0 3 371.437 3.258 20 5 FGBDHN COCCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783663 502200367 /nfs/dbraw/zinc/20/03/67/502200367.db2.gz GDYHMENTQJZREF-UHFFFAOYSA-N 0 3 361.364 3.445 20 5 FGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486610122 502207075 /nfs/dbraw/zinc/20/70/75/502207075.db2.gz YGMGUPPCHACIAF-UHFFFAOYSA-N 0 3 363.364 3.424 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475715931 502262432 /nfs/dbraw/zinc/26/24/32/502262432.db2.gz FOKTZPCUVQLVLP-INIZCTEOSA-N 0 3 364.442 3.405 20 5 FGBDHN C[C@H](CN1CCCCCC1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000479797254 502381620 /nfs/dbraw/zinc/38/16/20/502381620.db2.gz QFJTVHYLNPOEDS-HUUCEWRRSA-N 0 3 365.499 3.456 20 5 FGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000479890870 502411036 /nfs/dbraw/zinc/41/10/36/502411036.db2.gz ZWTKHSXDJMEOKC-XKQJLSEDSA-N 0 3 363.458 3.414 20 5 FGBDHN CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@@H]1CCN(C2CC2)C1 ZINC000462484256 502458612 /nfs/dbraw/zinc/45/86/12/502458612.db2.gz QSSUKHNVKRBPJV-QGZVFWFLSA-N 0 3 368.437 3.242 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000462482937 502458821 /nfs/dbraw/zinc/45/88/21/502458821.db2.gz IREWDKUJPLQACP-IBGZPJMESA-N 0 3 369.465 3.412 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466213463 502505100 /nfs/dbraw/zinc/50/51/00/502505100.db2.gz AMBUPJRYUDBWCS-AWEZNQCLSA-N 0 3 368.865 3.312 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656256 502524933 /nfs/dbraw/zinc/52/49/33/502524933.db2.gz LDOSRWDBCODEQP-UGSOOPFHSA-N 0 3 372.400 3.376 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000462757965 502559411 /nfs/dbraw/zinc/55/94/11/502559411.db2.gz CFYOJEGGSBYOPJ-LZLYRXPVSA-N 0 3 361.486 3.400 20 5 FGBDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000484333775 502626917 /nfs/dbraw/zinc/62/69/17/502626917.db2.gz BBCFZTQAFMRXCW-BEFAXECRSA-N 0 3 368.437 3.057 20 5 FGBDHN O=c1[n-]ccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000596242132 506325012 /nfs/dbraw/zinc/32/50/12/506325012.db2.gz MNTUTSMVSSNBOU-UHFFFAOYSA-N 0 3 368.437 3.188 20 5 FGBDHN COc1cccc([C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])N(C)C)c1 ZINC000582616056 506326677 /nfs/dbraw/zinc/32/66/77/506326677.db2.gz JKXHBPLHSRNQTD-ICSRJNTNSA-N 0 3 355.438 3.483 20 5 FGBDHN CN1CCC[C@@]2(CCN(c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000596242917 506327369 /nfs/dbraw/zinc/32/73/69/506327369.db2.gz DKBSMTWHAVQAIL-OAHLLOKOSA-N 0 3 354.248 3.279 20 5 FGBDHN C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000463067767 502681974 /nfs/dbraw/zinc/68/19/74/502681974.db2.gz ILPBJNOMJGICMX-AWEZNQCLSA-N 0 3 371.466 3.405 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000470170222 502691580 /nfs/dbraw/zinc/69/15/80/502691580.db2.gz QNEKPZXYSBFCNZ-JMPLCFMRSA-N 0 3 367.453 3.415 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000463408193 502787552 /nfs/dbraw/zinc/78/75/52/502787552.db2.gz COJGTFQLKDSJMH-RRQGHBQHSA-N 0 3 363.458 3.412 20 5 FGBDHN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000505006404 502838316 /nfs/dbraw/zinc/83/83/16/502838316.db2.gz SXFBGCGMNYXNST-KRWDZBQOSA-N 0 3 370.453 3.440 20 5 FGBDHN COC(=O)c1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000513825130 503031964 /nfs/dbraw/zinc/03/19/64/503031964.db2.gz WLEPXLJBJFWIPB-CJNGLKHVSA-N 0 3 358.394 3.475 20 5 FGBDHN COc1cccc(N(C)CC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000497756995 503034205 /nfs/dbraw/zinc/03/42/05/503034205.db2.gz MRMBYXBMDVBUPE-UHFFFAOYSA-N 0 3 356.426 3.351 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593039339 506353045 /nfs/dbraw/zinc/35/30/45/506353045.db2.gz NZBSLSNWGIYYAJ-NXEZZACHSA-N 0 3 350.268 3.420 20 5 FGBDHN COc1ccc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000593040497 506354057 /nfs/dbraw/zinc/35/40/57/506354057.db2.gz GPDDZTHMMTZTMM-UHFFFAOYSA-N 0 3 357.410 3.257 20 5 FGBDHN COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000510542048 503139130 /nfs/dbraw/zinc/13/91/30/503139130.db2.gz WROPORJIXZGMLZ-IFXJQAMLSA-N 0 3 371.437 3.333 20 5 FGBDHN Cc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(OC(C)C)c1 ZINC000514598180 503144927 /nfs/dbraw/zinc/14/49/27/503144927.db2.gz GWWGSXQKEISFKH-GOSISDBHSA-N 0 3 374.437 3.220 20 5 FGBDHN C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000498398592 503178731 /nfs/dbraw/zinc/17/87/31/503178731.db2.gz UTPCWAIMNUQMCH-BEFAXECRSA-N 0 3 370.453 3.128 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000498404409 503179743 /nfs/dbraw/zinc/17/97/43/503179743.db2.gz ORLBGNNEHBAQHA-GDBMZVCRSA-N 0 3 374.441 3.159 20 5 FGBDHN Cc1c(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000510874135 503208753 /nfs/dbraw/zinc/20/87/53/503208753.db2.gz IHYNBXYZKZGEPA-ZDUSSCGKSA-N 0 3 373.375 3.184 20 5 FGBDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759452 503258438 /nfs/dbraw/zinc/25/84/38/503258438.db2.gz VUSJYFHSHPQOBK-JQFCIGGWSA-N 0 3 354.834 3.000 20 5 FGBDHN CCN1C[C@@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000498916125 503291937 /nfs/dbraw/zinc/29/19/37/503291937.db2.gz PTOUBTZELVDIRR-VXGBXAGGSA-N 0 3 373.400 3.119 20 5 FGBDHN Cc1cc(NC2CCN(CC(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611921249 506363325 /nfs/dbraw/zinc/36/33/25/506363325.db2.gz KYZPPSORLPOGIC-UHFFFAOYSA-N 0 3 350.369 3.015 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000503107372 503348507 /nfs/dbraw/zinc/34/85/07/503348507.db2.gz MDCUPEZMXHANPD-BBRMVZONSA-N 0 3 374.441 3.425 20 5 FGBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000494373331 503532659 /nfs/dbraw/zinc/53/26/59/503532659.db2.gz XAAFWMODTRBJCS-MKBNYLNASA-N 0 3 366.849 3.442 20 5 FGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000508758342 503559873 /nfs/dbraw/zinc/55/98/73/503559873.db2.gz ILSYULUZXKUMQM-MGPQQGTHSA-N 0 3 359.426 3.437 20 5 FGBDHN CSc1ccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000500225015 503582420 /nfs/dbraw/zinc/58/24/20/503582420.db2.gz DYVPCXXCGCVVQD-ZFWWWQNUSA-N 0 3 362.451 3.407 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000516885146 503608776 /nfs/dbraw/zinc/60/87/76/503608776.db2.gz JTHLNSLPPXZLPE-QGZVFWFLSA-N 0 3 350.802 3.340 20 5 FGBDHN COc1c(-c2nc(-c3ccc(CN(C)C)cc3)no2)cccc1[N+](=O)[O-] ZINC000516993903 503639918 /nfs/dbraw/zinc/63/99/18/503639918.db2.gz AYBQAIFMQRAINH-UHFFFAOYSA-N 0 3 354.366 3.382 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C(C)C)C1=O ZINC000536872765 503745217 /nfs/dbraw/zinc/74/52/17/503745217.db2.gz YKOPZUIILUVUJM-UONOGXRCSA-N 0 3 351.472 3.064 20 5 FGBDHN COC(=O)CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000527304573 503758309 /nfs/dbraw/zinc/75/83/09/503758309.db2.gz ZKNIYITYVJTGCK-HAZIXKIPSA-N 0 3 362.426 3.042 20 5 FGBDHN CC(C)CN(CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533249751 503776158 /nfs/dbraw/zinc/77/61/58/503776158.db2.gz RSCYVCYILUXZSX-UHFFFAOYSA-N 0 3 355.438 3.394 20 5 FGBDHN CCc1cnccc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000543980248 503958655 /nfs/dbraw/zinc/95/86/55/503958655.db2.gz OURRWJFHYSFFBR-CYBMUJFWSA-N 0 3 372.425 3.240 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000518585636 504021591 /nfs/dbraw/zinc/02/15/91/504021591.db2.gz GPKOVLHQPBPISB-SFHVURJKSA-N 0 3 361.486 3.498 20 5 FGBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000544144076 504026735 /nfs/dbraw/zinc/02/67/35/504026735.db2.gz UKUXRQFSMGFUPX-NZSAHSFTSA-N 0 3 370.449 3.460 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000537943119 504090890 /nfs/dbraw/zinc/09/08/90/504090890.db2.gz CGMTZSVSNGZRSA-GJZGRUSLSA-N 0 3 366.421 3.352 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@](C)(O)C(F)(F)F ZINC000537947000 504091607 /nfs/dbraw/zinc/09/16/07/504091607.db2.gz DCYKGFDBEZDLQZ-GWCFXTLKSA-N 0 3 352.378 3.368 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)COC2 ZINC000537957404 504095102 /nfs/dbraw/zinc/09/51/02/504095102.db2.gz FCEZSARXCZBNTJ-ZDUSSCGKSA-N 0 3 355.394 3.132 20 5 FGBDHN COC(=O)COc1ccccc1[C@@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000541566088 504178087 /nfs/dbraw/zinc/17/80/87/504178087.db2.gz WPBPGTVDBLHROH-CQSZACIVSA-N 0 3 358.394 3.040 20 5 FGBDHN CC[C@@H]1CCC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541762926 504246490 /nfs/dbraw/zinc/24/64/90/504246490.db2.gz RFGKAWPMVKFULU-CABCVRRESA-N 0 3 354.472 3.175 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541948395 504312991 /nfs/dbraw/zinc/31/29/91/504312991.db2.gz HNEAUPXKTZHMRC-AWEZNQCLSA-N 0 3 370.327 3.316 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCN(c2ccccc2)CC1 ZINC000531689830 504393324 /nfs/dbraw/zinc/39/33/24/504393324.db2.gz OQOGJHIVDIGHET-SFHVURJKSA-N 0 3 368.481 3.376 20 5 FGBDHN Cc1cc(CN(C)C)cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000535418970 504429561 /nfs/dbraw/zinc/42/95/61/504429561.db2.gz GKMFQFATHKGHGS-UHFFFAOYSA-N 0 3 353.382 3.093 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000520760373 504576031 /nfs/dbraw/zinc/57/60/31/504576031.db2.gz ZHEPSBIGGLLCTA-ZNMIVQPWSA-N 0 3 365.499 3.455 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000548936781 504628665 /nfs/dbraw/zinc/62/86/65/504628665.db2.gz MSQIHGXHPRYUQI-KGLIPLIRSA-N 0 3 359.430 3.293 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2csc3ccccc23)c1 ZINC000548950351 504633110 /nfs/dbraw/zinc/63/31/10/504633110.db2.gz OSQGMBUXQQNNNO-HNNXBMFYSA-N 0 3 358.419 3.339 20 5 FGBDHN COc1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000542960368 504674077 /nfs/dbraw/zinc/67/40/77/504674077.db2.gz AAEFEKREUSZQMV-INIZCTEOSA-N 0 3 358.398 3.028 20 5 FGBDHN CN(CCc1nc(-c2ccccc2)no1)CCc1cccc([N+](=O)[O-])c1 ZINC000549170419 504711564 /nfs/dbraw/zinc/71/15/64/504711564.db2.gz HTHPXBIUZQSDKP-UHFFFAOYSA-N 0 3 352.394 3.362 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000532655245 504726068 /nfs/dbraw/zinc/72/60/68/504726068.db2.gz UVTLSTUAMICRHL-GHTZIAJQSA-N 0 3 368.433 3.486 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521602254 504762974 /nfs/dbraw/zinc/76/29/74/504762974.db2.gz VGCWFWITTWEDGG-QGZVFWFLSA-N 0 3 371.412 3.262 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCNc1nccc(C(F)(F)F)n1 ZINC000565213502 504826886 /nfs/dbraw/zinc/82/68/86/504826886.db2.gz AYEFHAJJJXRPCC-LBPRGKRZSA-N 0 3 367.331 3.093 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000556515872 504893910 /nfs/dbraw/zinc/89/39/10/504893910.db2.gz SHLWFVQDEZHNCL-KSSFIOAISA-N 0 3 372.421 3.113 20 5 FGBDHN Cc1cc(CN)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000565545566 504919526 /nfs/dbraw/zinc/91/95/26/504919526.db2.gz UGJHYSBPJMDJOZ-UHFFFAOYSA-N 0 3 368.437 3.217 20 5 FGBDHN O=[N+]([O-])c1cnn(CCNCc2cnc(-c3ccc(Cl)cc3)s2)c1 ZINC000560075930 504985926 /nfs/dbraw/zinc/98/59/26/504985926.db2.gz BFYHBBHWXJLNQL-UHFFFAOYSA-N 0 3 363.830 3.358 20 5 FGBDHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000560094756 504990347 /nfs/dbraw/zinc/99/03/47/504990347.db2.gz RMFBYNORLXYXBG-KDOFPFPSSA-N 0 3 362.426 3.102 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000554227658 505121268 /nfs/dbraw/zinc/12/12/68/505121268.db2.gz FWGOLOBHLSQHMU-GOSISDBHSA-N 0 3 354.410 3.464 20 5 FGBDHN CC[C@@H](N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560571523 505130435 /nfs/dbraw/zinc/13/04/35/505130435.db2.gz WMXXIGRPHLEHBZ-FUHWJXTLSA-N 0 3 360.458 3.316 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000560626947 505148537 /nfs/dbraw/zinc/14/85/37/505148537.db2.gz CJNWERPQPJELAO-DZGCQCFKSA-N 0 3 363.483 3.404 20 5 FGBDHN C[C@@H]1CN(CC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000557568850 505169394 /nfs/dbraw/zinc/16/93/94/505169394.db2.gz LGLGVONGHPEIRY-ZIAGYGMSSA-N 0 3 351.422 3.060 20 5 FGBDHN COc1cc(OC)c(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1 ZINC000563637374 505198865 /nfs/dbraw/zinc/19/88/65/505198865.db2.gz NFCVIUMBBZWXLD-KRWDZBQOSA-N 0 3 372.421 3.440 20 5 FGBDHN CSc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561759929 505428873 /nfs/dbraw/zinc/42/88/73/505428873.db2.gz FKNMLMHIIKKCOU-GZBFAFLISA-N 0 3 363.483 3.119 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000561762127 505430143 /nfs/dbraw/zinc/43/01/43/505430143.db2.gz PYXLFNQKFXTYAJ-PBFPGSCMSA-N 0 3 359.470 3.322 20 5 FGBDHN Cc1c([C@H](C)NCc2ccncc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000567513760 505485702 /nfs/dbraw/zinc/48/57/02/505485702.db2.gz JYLADODXGLVAOQ-HNNXBMFYSA-N 0 3 358.442 3.089 20 5 FGBDHN CC(C)(C(=O)N1CCCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000603083821 506414769 /nfs/dbraw/zinc/41/47/69/506414769.db2.gz MOASPLRGDIESGZ-UHFFFAOYSA-N 0 3 368.437 3.006 20 5 FGBDHN CC1(C)C[C@H](NCc2ccc(CC(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000589344901 506524031 /nfs/dbraw/zinc/52/40/31/506524031.db2.gz ZBQHZJKAGXCKGJ-SFHVURJKSA-N 0 3 353.422 3.135 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596676675 506526397 /nfs/dbraw/zinc/52/63/97/506526397.db2.gz AMEQVKUJZASYBG-OAHLLOKOSA-N 0 3 360.458 3.142 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)C[C@@H]1C ZINC000599624250 506534857 /nfs/dbraw/zinc/53/48/57/506534857.db2.gz UXMFYCCOYPTQSG-NSHDSACASA-N 0 3 357.357 3.052 20 5 FGBDHN COc1cc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000599626552 506536553 /nfs/dbraw/zinc/53/65/53/506536553.db2.gz RJWCWQJDHFFKME-OFYUCFFLSA-N 0 3 360.357 3.106 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000593342170 506557867 /nfs/dbraw/zinc/55/78/67/506557867.db2.gz MJYSVXRQXJMPGH-HXUWFJFHSA-N 0 3 353.422 3.298 20 5 FGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596843656 506632287 /nfs/dbraw/zinc/63/22/87/506632287.db2.gz HFRODRQIJIUDLG-MRXNPFEDSA-N 0 3 374.485 3.389 20 5 FGBDHN O=[N+]([O-])c1ccccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000593496906 506653894 /nfs/dbraw/zinc/65/38/94/506653894.db2.gz XXWWZLMYMRYWOA-VQTJNVASSA-N 0 3 353.422 3.075 20 5 FGBDHN O=[N+]([O-])c1ccccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000593496908 506654117 /nfs/dbraw/zinc/65/41/17/506654117.db2.gz XXWWZLMYMRYWOA-WOJBJXKFSA-N 0 3 353.422 3.075 20 5 FGBDHN CC1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)CC1 ZINC000603910734 506657046 /nfs/dbraw/zinc/65/70/46/506657046.db2.gz YRALSPVEDCCDPN-UHFFFAOYSA-N 0 3 370.409 3.180 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CCN1C ZINC000599830365 506664370 /nfs/dbraw/zinc/66/43/70/506664370.db2.gz RLRBKORRLWODFS-CHWSQXEVSA-N 0 3 357.414 3.089 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833559 506666471 /nfs/dbraw/zinc/66/64/71/506666471.db2.gz UGVKGTAPIPGIDQ-ZDUSSCGKSA-N 0 3 371.441 3.337 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835653 506668383 /nfs/dbraw/zinc/66/83/83/506668383.db2.gz YEBPNKMLOSKZAH-AWEZNQCLSA-N 0 3 369.425 3.281 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593699734 506739554 /nfs/dbraw/zinc/73/95/54/506739554.db2.gz MEVZYASWIRUYBP-UHFFFAOYSA-N 0 3 351.422 3.001 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(-c3nncnn3)cc1)CCC2 ZINC000593719364 506746578 /nfs/dbraw/zinc/74/65/78/506746578.db2.gz XBCZNBULCJYNFK-GOSISDBHSA-N 0 3 362.393 3.009 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100230 506773831 /nfs/dbraw/zinc/77/38/31/506773831.db2.gz HBTOGAUJCZJPIY-SNVBAGLBSA-N 0 3 369.853 3.024 20 5 FGBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)[C@H]2C1 ZINC000590446576 506825571 /nfs/dbraw/zinc/82/55/71/506825571.db2.gz UTQMJFQPMZMWHI-KDOFPFPSSA-N 0 3 367.405 3.163 20 5 FGBDHN COc1cc(CNC[C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000597235840 506851537 /nfs/dbraw/zinc/85/15/37/506851537.db2.gz LLEGWVCLJDTRHM-GFCCVEGCSA-N 0 3 374.384 3.152 20 5 FGBDHN CC(C)(C)CCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000604546981 506869788 /nfs/dbraw/zinc/86/97/88/506869788.db2.gz ORQMUIXYVXWGCS-UHFFFAOYSA-N 0 3 358.442 3.270 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OC2CCC2)C1 ZINC000594026337 506893020 /nfs/dbraw/zinc/89/30/20/506893020.db2.gz JLNAAJXEKSALSU-KRWDZBQOSA-N 0 3 361.442 3.265 20 5 FGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)(F)CC1 ZINC000594044786 506904113 /nfs/dbraw/zinc/90/41/13/506904113.db2.gz RPAGRRZQSVUNJZ-GFCCVEGCSA-N 0 3 367.396 3.288 20 5 FGBDHN C[C@@H](CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO)c1ccccc1 ZINC000583830614 506998330 /nfs/dbraw/zinc/99/83/30/506998330.db2.gz JXGMCMWVECEZHJ-GJZGRUSLSA-N 0 3 368.437 3.458 20 5 FGBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000609963700 507056384 /nfs/dbraw/zinc/05/63/84/507056384.db2.gz GYKSFUZFDIDJER-CQSZACIVSA-N 0 3 372.425 3.099 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C2CCCC2)CC1 ZINC000609995878 507065267 /nfs/dbraw/zinc/06/52/67/507065267.db2.gz WZFXITMDSSKJCJ-UHFFFAOYSA-N 0 3 351.834 3.339 20 5 FGBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1Cc1ccccc1 ZINC000609995525 507065483 /nfs/dbraw/zinc/06/54/83/507065483.db2.gz JFVACOUASDFZPC-GDBMZVCRSA-N 0 3 356.426 3.048 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(CN2CCC(O)CC2)cc1 ZINC000591500256 507272024 /nfs/dbraw/zinc/27/20/24/507272024.db2.gz IKBSEVVQRLWZMF-UHFFFAOYSA-N 0 3 355.438 3.472 20 5 FGBDHN COc1cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000601156035 507281233 /nfs/dbraw/zinc/28/12/33/507281233.db2.gz QBDGMMRRHCRBAV-KRWDZBQOSA-N 0 3 350.415 3.138 20 5 FGBDHN CO[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000594996293 507346425 /nfs/dbraw/zinc/34/64/25/507346425.db2.gz AARUKAZONFFARO-SFHVURJKSA-N 0 3 350.415 3.051 20 5 FGBDHN COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595011752 507354383 /nfs/dbraw/zinc/35/43/83/507354383.db2.gz MGXHIMLGBLMRMB-OCCSQVGLSA-N 0 3 358.394 3.266 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(CO)CCc2ccccc21 ZINC000595046362 507366445 /nfs/dbraw/zinc/36/64/45/507366445.db2.gz PXDHYTFCIUVMCN-VLIAUNLRSA-N 0 3 356.422 3.131 20 5 FGBDHN CCc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000610762024 507379412 /nfs/dbraw/zinc/37/94/12/507379412.db2.gz UYEGYYQPLCYEHM-MRXNPFEDSA-N 0 3 369.421 3.127 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CCC2 ZINC000595095243 507388918 /nfs/dbraw/zinc/38/89/18/507388918.db2.gz HGCUWVLGFIOPCL-XUVXKRRUSA-N 0 3 371.481 3.205 20 5 FGBDHN CC1(C)C[C@H](NCCN2C[C@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000595099964 507390944 /nfs/dbraw/zinc/39/09/44/507390944.db2.gz HMIVWSUWQDKMBT-QAPCUYQASA-N 0 3 372.469 3.197 20 5 FGBDHN CCC[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595104447 507395353 /nfs/dbraw/zinc/39/53/53/507395353.db2.gz QKVFJJFHGGTNOZ-ZWKOTPCHSA-N 0 3 360.458 3.316 20 5 FGBDHN CC[C@@H](CN1CCCC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000610881689 507428729 /nfs/dbraw/zinc/42/87/29/507428729.db2.gz QWHIQHPAPRRYPB-INIZCTEOSA-N 0 3 360.458 3.143 20 5 FGBDHN O=C(C[C@@H]1NCc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595253943 507441307 /nfs/dbraw/zinc/44/13/07/507441307.db2.gz LWDUIGXGNHQECU-SFHVURJKSA-N 0 3 351.406 3.320 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595257601 507442398 /nfs/dbraw/zinc/44/23/98/507442398.db2.gz MFTCYCFHPJCJBS-KRWDZBQOSA-N 0 3 369.421 3.433 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000584716352 507467050 /nfs/dbraw/zinc/46/70/50/507467050.db2.gz IXGOGCSGHXTPPZ-APWZRJJASA-N 0 3 360.385 3.141 20 5 FGBDHN COc1cccc(SCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595374497 507473868 /nfs/dbraw/zinc/47/38/68/507473868.db2.gz COXWUYOANIYISY-CQSZACIVSA-N 0 3 374.466 3.277 20 5 FGBDHN CC(C)(C)OC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000592130142 507495569 /nfs/dbraw/zinc/49/55/69/507495569.db2.gz TWDAXKUWJUJKEH-UHFFFAOYSA-N 0 3 364.442 3.308 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000592134268 507499172 /nfs/dbraw/zinc/49/91/72/507499172.db2.gz OZWOSQPPXKZJOB-GDBMZVCRSA-N 0 3 358.398 3.036 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592153937 507509937 /nfs/dbraw/zinc/50/99/37/507509937.db2.gz DMTWUIDSHHGUJQ-QAPCUYQASA-N 0 3 353.422 3.294 20 5 FGBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCOCC1 ZINC000595613723 507591428 /nfs/dbraw/zinc/59/14/28/507591428.db2.gz AJBYIQXHTUBKFY-OAHLLOKOSA-N 0 3 362.348 3.145 20 5 FGBDHN Cn1cnc(CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000592394066 507637103 /nfs/dbraw/zinc/63/71/03/507637103.db2.gz LNGPNUMJPTUFHS-IBGZPJMESA-N 0 3 351.410 3.035 20 5 FGBDHN CC(C)C[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611471540 507696359 /nfs/dbraw/zinc/69/63/59/507696359.db2.gz ZWYNVFPUJLQNIA-CABCVRRESA-N 0 3 350.415 3.049 20 5 FGBDHN COc1cc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000611515377 507715398 /nfs/dbraw/zinc/71/53/98/507715398.db2.gz WJFMNVMZEZYYQU-IRXDYDNUSA-N 0 3 353.422 3.172 20 5 FGBDHN COc1ccc(NC(=O)[C@@H](C)N(CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595872345 507720546 /nfs/dbraw/zinc/72/05/46/507720546.db2.gz WBOUWHKRVWLURL-CYBMUJFWSA-N 0 3 361.442 3.443 20 5 FGBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000611556435 507738103 /nfs/dbraw/zinc/73/81/03/507738103.db2.gz YAPDWUUCSYQCSW-CQSZACIVSA-N 0 3 363.483 3.311 20 5 FGBDHN C[C@@H](O)CC(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602550142 507746372 /nfs/dbraw/zinc/74/63/72/507746372.db2.gz HLJSGSFAURHQJU-MRVPVSSYSA-N 0 3 351.266 3.306 20 5 FGBDHN O=C(c1cc2c(s1)CCNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595926372 507747668 /nfs/dbraw/zinc/74/76/68/507747668.db2.gz KXCCLALQLQYVMV-UHFFFAOYSA-N 0 3 357.435 3.107 20 5 FGBDHN COCCOc1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000526063288 568209579 /nfs/dbraw/zinc/20/95/79/568209579.db2.gz FFKIEMAEXSUQGY-GDNBJRDFSA-N 0 3 357.410 3.208 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820254254 607014764 /nfs/dbraw/zinc/01/47/64/607014764.db2.gz OHCFFFQSKWPREF-KBPBESRZSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820254254 607014765 /nfs/dbraw/zinc/01/47/65/607014765.db2.gz OHCFFFQSKWPREF-KBPBESRZSA-N 0 3 366.425 3.447 20 5 FGBDHN CC(C)[C@H]1CN(C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000153653506 705007403 /nfs/dbraw/zinc/00/74/03/705007403.db2.gz OCLNNCLIICKWRY-CQSZACIVSA-N 0 3 350.444 3.101 20 5 FGBDHN C[C@](CO)(NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000174793100 705520175 /nfs/dbraw/zinc/52/01/75/705520175.db2.gz QNCHWAWAMULVKK-QGZVFWFLSA-N 0 3 369.849 3.108 20 5 FGBDHN C[S@](=O)C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000183130639 705878340 /nfs/dbraw/zinc/87/83/40/705878340.db2.gz OHJFCFDCFWMGID-CJAUYULYSA-N 0 3 362.451 3.073 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Br)cc2F)cc1 ZINC000754251446 722932635 /nfs/dbraw/zinc/93/26/35/722932635.db2.gz UINLRGZWOFCAKL-OAHLLOKOSA-N 0 3 369.190 3.320 20 5 FGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](CO)Cc1ccc(F)cc1 ZINC000740003943 722534731 /nfs/dbraw/zinc/53/47/31/722534731.db2.gz DRJFRVZZDZUVBG-CYBMUJFWSA-N 0 3 352.793 3.328 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(Br)s2)c1 ZINC000749670134 722736417 /nfs/dbraw/zinc/73/64/17/722736417.db2.gz JEFKPGYOAISREC-LBPRGKRZSA-N 0 3 357.229 3.242 20 5 FGBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792871642 723375922 /nfs/dbraw/zinc/37/59/22/723375922.db2.gz KTOWGHUPJSAUOA-YVEFUNNKSA-N 0 3 351.403 3.170 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cn4ccsc4n3)CC2)cc1 ZINC000765347216 723507380 /nfs/dbraw/zinc/50/73/80/723507380.db2.gz HGLYTEWMTADCIC-UHFFFAOYSA-N 0 3 357.439 3.063 20 5 FGBDHN COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000775348191 723984722 /nfs/dbraw/zinc/98/47/22/723984722.db2.gz UDUKXLSNSPDHKS-YPMHNXCESA-N 0 3 355.822 3.205 20 5 FGBDHN COc1cc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000776580353 724162210 /nfs/dbraw/zinc/16/22/10/724162210.db2.gz URMIRRGDLOONME-INIZCTEOSA-N 0 3 362.451 3.491 20 5 FGBDHN O=C(CN1CCC[C@H]1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777739393 724254145 /nfs/dbraw/zinc/25/41/45/724254145.db2.gz HHVJYMCBGXLMRG-HNNXBMFYSA-N 0 3 367.833 3.078 20 5 FGBDHN C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000777945150 724273892 /nfs/dbraw/zinc/27/38/92/724273892.db2.gz XWCBUEZMFZWOTI-OLZOCXBDSA-N 0 3 355.385 3.066 20 5 FGBDHN CCNC(=O)C1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811495474 725369503 /nfs/dbraw/zinc/36/95/03/725369503.db2.gz MECIWHCCWHAQEP-UHFFFAOYSA-N 0 3 360.241 3.298 20 5 FGBDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103037 726838936 /nfs/dbraw/zinc/83/89/36/726838936.db2.gz MAHIJUVCOXKBPT-JTQLQIEISA-N 0 3 351.790 3.024 20 5 FGBDHN CC(COC(=O)c1ccc(-c2ccccc2Br)n1C)[N+](=O)[O-] ZINC000813107743 726839629 /nfs/dbraw/zinc/83/96/29/726839629.db2.gz VOFIFQHAAVCCBT-JTQLQIEISA-N 0 3 367.199 3.277 20 5 FGBDHN CC(COC(=O)CCCCOc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813107510 726839956 /nfs/dbraw/zinc/83/99/56/726839956.db2.gz RQGBGXAZXLNFOO-LLVKDONJSA-N 0 3 360.204 3.207 20 5 FGBDHN CC(COC(=O)COc1ccc2cc(Br)ccc2c1)[N+](=O)[O-] ZINC000813111928 726840479 /nfs/dbraw/zinc/84/04/79/726840479.db2.gz LSKKVYGZYCQIPB-SNVBAGLBSA-N 0 3 368.183 3.190 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1F ZINC000826791389 729415329 /nfs/dbraw/zinc/41/53/29/729415329.db2.gz VFIRAZMCNCSNNA-VXGBXAGGSA-N 0 3 355.385 3.174 20 5 FGBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832628094 729723218 /nfs/dbraw/zinc/72/32/18/729723218.db2.gz AGIIBOOSQWEBLC-UKRRQHHQSA-N 0 3 355.822 3.124 20 5 FGBDHN CC([C@@H](OC(=O)CCOCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845875407 730905128 /nfs/dbraw/zinc/90/51/28/730905128.db2.gz MEERXWNLSKALBT-TVQRCGJNSA-N 0 3 353.268 3.044 20 5 FGBDHN CC([C@H](OC(=O)CCn1cc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878127 730905383 /nfs/dbraw/zinc/90/53/83/730905383.db2.gz UMLNNJLALBZMNS-BONVTDFDSA-N 0 3 355.753 3.015 20 5 FGBDHN CC([C@H](OC(=O)c1nc2c(s1)CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876454 730905388 /nfs/dbraw/zinc/90/53/88/730905388.db2.gz FPZUAXBFGLCWCC-OTYXRUKQSA-N 0 3 350.371 3.334 20 5 FGBDHN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000847081090 731017230 /nfs/dbraw/zinc/01/72/30/731017230.db2.gz RNZCNPNMYXJNEZ-WFASDCNBSA-N 0 3 355.822 3.124 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850579929 731375839 /nfs/dbraw/zinc/37/58/39/731375839.db2.gz CXTROGGBZVKBLB-GDBMZVCRSA-N 0 3 352.312 3.323 20 5 FGBDHN COC[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000852321200 731569741 /nfs/dbraw/zinc/56/97/41/731569741.db2.gz JZDVBOVRNUUSPC-AWEZNQCLSA-N 0 3 363.241 3.433 20 5 FGBDHN CC1(C)CCC[C@](CO)(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000859615414 732362370 /nfs/dbraw/zinc/36/23/70/732362370.db2.gz JUENWISPPGLVBS-KRWDZBQOSA-N 0 3 369.849 3.108 20 5 FGBDHN Cn1cc(C(F)F)c(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000866566468 733367110 /nfs/dbraw/zinc/36/71/10/733367110.db2.gz IGPFFHUCCBQWQN-CQSZACIVSA-N 0 3 350.369 3.377 20 5 FGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)Nc1ccccn1 ZINC000872027147 735578463 /nfs/dbraw/zinc/57/84/63/735578463.db2.gz HWVJIYMJQQARDM-GFCCVEGCSA-N 0 3 360.439 3.391 20 5 FGBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 ZINC000872217231 735604203 /nfs/dbraw/zinc/60/42/03/735604203.db2.gz QQVPFEQCPLHJOE-DLBZAZTESA-N 0 3 368.792 3.134 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000875882656 736034553 /nfs/dbraw/zinc/03/45/53/736034553.db2.gz COMDQEDTVKQXNA-GFCCVEGCSA-N 0 3 353.369 3.010 20 5 FGBDHN Cc1ncc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000879251779 736972741 /nfs/dbraw/zinc/97/27/41/736972741.db2.gz CSZUGMKUBDWNKT-VIFPVBQESA-N 0 3 352.391 3.178 20 5 FGBDHN COc1c(O)ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405879 742407445 /nfs/dbraw/zinc/40/74/45/742407445.db2.gz QMERNCHPIISXSY-BBRMVZONSA-N 0 3 350.415 3.090 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cnc(Br)cn1 ZINC000895407764 742407926 /nfs/dbraw/zinc/40/79/26/742407926.db2.gz HNPNTTCJOUCUEH-LLVKDONJSA-N 0 3 365.231 3.258 20 5 FGBDHN O=[N+]([O-])c1c(NC[C@@H]2CCN2C2CCOCC2)cccc1C(F)(F)F ZINC000896526099 742562003 /nfs/dbraw/zinc/56/20/03/742562003.db2.gz SMTITPRRDCAPQR-LBPRGKRZSA-N 0 3 359.348 3.279 20 5 FGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCN1C1CCOCC1 ZINC000897227060 742656134 /nfs/dbraw/zinc/65/61/34/742656134.db2.gz AKHJQXGCWXPMEN-AWEZNQCLSA-N 0 3 374.268 3.245 20 5 FGBDHN C[C@H](N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1[N+](=O)[O-] ZINC000901727189 743627986 /nfs/dbraw/zinc/62/79/86/743627986.db2.gz DJIOZMGANFJRNI-WDEREUQCSA-N 0 3 365.231 3.219 20 5 FGBDHN O=[N+]([O-])c1cc(CN[C@]23C[C@H]2COC32CCC2)ccc1Br ZINC000923037700 759055027 /nfs/dbraw/zinc/05/50/27/759055027.db2.gz RIVFDKZYCCRSOX-XHDPSFHLSA-N 0 3 353.216 3.159 20 5 FGBDHN CC(C)(C)O[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C12CCOCC2 ZINC000923035617 759055108 /nfs/dbraw/zinc/05/51/08/759055108.db2.gz MPYSWTSFGYQVCW-KGLIPLIRSA-N 0 3 354.472 3.499 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054225065 221051521 /nfs/dbraw/zinc/05/15/21/221051521.db2.gz NDNVMLGFIFPMKB-HOCLYGCPSA-N 0 3 369.421 3.169 20 5 FGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1cccnc1)C1CC1 ZINC000540150147 503689592 /nfs/dbraw/zinc/68/95/92/503689592.db2.gz BYJLDJGLDSUUCH-DJJJIMSYSA-N 0 3 354.410 3.448 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000573590353 505573690 /nfs/dbraw/zinc/57/36/90/505573690.db2.gz MEZUIDWCWOVPMI-UTKZUKDTSA-N 0 3 370.449 3.445 20 5 FGBDHN CC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000543451948 503776933 /nfs/dbraw/zinc/77/69/33/503776933.db2.gz HZNVSKFDPSBRSG-HNNXBMFYSA-N 0 3 362.430 3.073 20 5 FGBDHN CSc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000579637937 505591981 /nfs/dbraw/zinc/59/19/81/505591981.db2.gz XLRLTIAGLUGLLL-GOSISDBHSA-N 0 3 373.478 3.278 20 5 FGBDHN CN(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000579744603 505611763 /nfs/dbraw/zinc/61/17/63/505611763.db2.gz DJBVZLVGANJFFQ-CYBMUJFWSA-N 0 3 361.402 3.453 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000579869300 505635256 /nfs/dbraw/zinc/63/52/56/505635256.db2.gz PBGWXDWKGQTAPB-XJKSGUPXSA-N 0 3 360.414 3.116 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCNC[C@H]2C(F)F)s1 ZINC000571088747 505650209 /nfs/dbraw/zinc/65/02/09/505650209.db2.gz SYLFRWYTDYSYPC-AWEZNQCLSA-N 0 3 353.394 3.362 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000027930601 493766489 /nfs/dbraw/zinc/76/64/89/493766489.db2.gz GIWAATJXGPNZOC-UHFFFAOYSA-N 0 3 353.422 3.032 20 5 FGBDHN CN(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccccc1 ZINC000028746621 493799336 /nfs/dbraw/zinc/79/93/36/493799336.db2.gz PRKSFFPRRKMTAV-LJQANCHMSA-N 0 3 368.437 3.202 20 5 FGBDHN COc1cc(F)c([N+](=O)[O-])c(NCC2(N3CCCCC3)CCOCC2)c1 ZINC000081001257 493810600 /nfs/dbraw/zinc/81/06/00/493810600.db2.gz WVQKXSXSNUZCHO-UHFFFAOYSA-N 0 3 367.421 3.190 20 5 FGBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000081006055 493811796 /nfs/dbraw/zinc/81/17/96/493811796.db2.gz ILAGKTJKWKWCQA-UHFFFAOYSA-N 0 3 372.444 3.268 20 5 FGBDHN CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000029374904 493836758 /nfs/dbraw/zinc/83/67/58/493836758.db2.gz LKLIBVPDZAYQLV-UHFFFAOYSA-N 0 3 368.437 3.297 20 5 FGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000058991663 493898656 /nfs/dbraw/zinc/89/86/56/493898656.db2.gz RDJCRLWXVKXFTF-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000061289723 493973350 /nfs/dbraw/zinc/97/33/50/493973350.db2.gz WZIPAHLZNINOHU-UHFFFAOYSA-N 0 3 361.423 3.031 20 5 FGBDHN CC(=O)NCC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000076997277 494006261 /nfs/dbraw/zinc/00/62/61/494006261.db2.gz MENSBRHLESPCCB-UHFFFAOYSA-N 0 3 364.445 3.294 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000062984526 494026691 /nfs/dbraw/zinc/02/66/91/494026691.db2.gz MYTGMBFRFBAOJR-ZDUSSCGKSA-N 0 3 354.248 3.422 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000063703992 494077306 /nfs/dbraw/zinc/07/73/06/494077306.db2.gz QHOKVTTZTUBPOP-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000087062354 494168667 /nfs/dbraw/zinc/16/86/67/494168667.db2.gz XLKDGQYSRRTJLX-FQEVSTJZSA-N 0 3 367.449 3.481 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(F)cc1 ZINC000041888270 494185692 /nfs/dbraw/zinc/18/56/92/494185692.db2.gz BRCDLEVFWILOAX-UHFFFAOYSA-N 0 3 361.373 3.203 20 5 FGBDHN CC(C)Oc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665038 494229324 /nfs/dbraw/zinc/22/93/24/494229324.db2.gz DHVLOJYXCMKTTL-INIZCTEOSA-N 0 3 356.426 3.463 20 5 FGBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000088501391 494244657 /nfs/dbraw/zinc/24/46/57/494244657.db2.gz ORRSTCCTSBXNQG-AWEZNQCLSA-N 0 3 360.414 3.022 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](CCO)c1ccccc1 ZINC000072772784 494248238 /nfs/dbraw/zinc/24/82/38/494248238.db2.gz KVANEVDCQTWVHU-IBGZPJMESA-N 0 3 371.437 3.287 20 5 FGBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000065936922 494258067 /nfs/dbraw/zinc/25/80/67/494258067.db2.gz ZJCMAZDCELZYKB-UHFFFAOYSA-N 0 3 361.829 3.452 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065931492 494258205 /nfs/dbraw/zinc/25/82/05/494258205.db2.gz UNNOENDFVXPHGW-UHFFFAOYSA-N 0 3 363.364 3.077 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C(C)C)C1 ZINC000072836618 494262174 /nfs/dbraw/zinc/26/21/74/494262174.db2.gz VDADGJUFKHIABH-INIZCTEOSA-N 0 3 351.472 3.305 20 5 FGBDHN CCC[C@H](NCCNC(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000089514172 494318779 /nfs/dbraw/zinc/31/87/79/494318779.db2.gz PKYPAFCUIIQCMW-IBGZPJMESA-N 0 3 371.437 3.464 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073079960 494318978 /nfs/dbraw/zinc/31/89/78/494318978.db2.gz BMLWBMLRMWSJQQ-VMPITWQZSA-N 0 3 369.425 3.100 20 5 FGBDHN COc1cc(F)c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000089580620 494325979 /nfs/dbraw/zinc/32/59/79/494325979.db2.gz AHJPEZDYLVHYOC-LBPRGKRZSA-N 0 3 364.373 3.481 20 5 FGBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066726853 494396951 /nfs/dbraw/zinc/39/69/51/494396951.db2.gz KTJKYPXREMTYOP-UHFFFAOYSA-N 0 3 355.438 3.248 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000073954787 494455627 /nfs/dbraw/zinc/45/56/27/494455627.db2.gz JSKXTZWKIHXMSC-UHFFFAOYSA-N 0 3 359.451 3.093 20 5 FGBDHN C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000056396131 494498871 /nfs/dbraw/zinc/49/88/71/494498871.db2.gz IJVQMINOEPLXIA-CQSZACIVSA-N 0 3 356.426 3.217 20 5 FGBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000067536183 494560495 /nfs/dbraw/zinc/56/04/95/494560495.db2.gz XGQISRNQICGQHC-UHFFFAOYSA-N 0 3 368.437 3.012 20 5 FGBDHN COc1ccc(C[C@](C)(O)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000577446486 505728991 /nfs/dbraw/zinc/72/89/91/505728991.db2.gz YYLSNILPXLKNIA-FQEVSTJZSA-N 0 3 374.437 3.004 20 5 FGBDHN Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000023737378 494578530 /nfs/dbraw/zinc/57/85/30/494578530.db2.gz RUZNHMUPMFJJKY-GOSISDBHSA-N 0 3 353.422 3.470 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108329428 494683713 /nfs/dbraw/zinc/68/37/13/494683713.db2.gz FLZPKSUAYFLZQI-HNNXBMFYSA-N 0 3 368.437 3.410 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000025420822 494739140 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COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1SC ZINC000103206011 495204601 /nfs/dbraw/zinc/20/46/01/495204601.db2.gz HFCDPZXVPSFAJJ-GFCCVEGCSA-N 0 3 369.487 3.031 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134880546 495214846 /nfs/dbraw/zinc/21/48/46/495214846.db2.gz PWFYVVNXCWTZJI-NVXWUHKLSA-N 0 3 353.422 3.296 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCC2(N3CCOCC3)CC2)c2ccccc2)c1 ZINC000571610511 505772447 /nfs/dbraw/zinc/77/24/47/505772447.db2.gz OBYFOZYULODRAQ-HXUWFJFHSA-N 0 3 367.449 3.139 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1OCCN(C)C ZINC000120486581 495389363 /nfs/dbraw/zinc/38/93/63/495389363.db2.gz GBKAODXROPEUPT-UHFFFAOYSA-N 0 3 372.425 3.165 20 5 FGBDHN Cc1cc(C[C@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000136751228 495399883 /nfs/dbraw/zinc/39/98/83/495399883.db2.gz RXPPPSHJCLMGBV-NSHDSACASA-N 0 3 357.439 3.471 20 5 FGBDHN Cc1cc(C[C@H](C)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000136751228 495399886 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365.455 3.101 20 5 FGBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CCC(C)CC2)CC1 ZINC000115567883 495518750 /nfs/dbraw/zinc/51/87/50/495518750.db2.gz SCKGJHVPXXIYPU-CGZBRXJRSA-N 0 3 374.485 3.118 20 5 FGBDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000158599372 495546529 /nfs/dbraw/zinc/54/65/29/495546529.db2.gz DQBKGJLSYXSJEX-QRWLVFNGSA-N 0 3 373.428 3.458 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000148319931 495584238 /nfs/dbraw/zinc/58/42/38/495584238.db2.gz VHYDYFPOIXJAGP-YJBOKZPZSA-N 0 3 353.422 3.469 20 5 FGBDHN CC[C@@H](NCc1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000179511644 495622105 /nfs/dbraw/zinc/62/21/05/495622105.db2.gz LFPNBJNGCRBTSU-GOSISDBHSA-N 0 3 358.442 3.171 20 5 FGBDHN CC(C)Oc1ccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000179527671 495629445 /nfs/dbraw/zinc/62/94/45/495629445.db2.gz BRRDONUOPNUSHO-MAUKXSAKSA-N 0 3 374.437 3.473 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000182620464 495639175 /nfs/dbraw/zinc/63/91/75/495639175.db2.gz FTMBJSGXMVGQBW-XJKSGUPXSA-N 0 3 356.378 3.432 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179558386 495640634 /nfs/dbraw/zinc/64/06/34/495640634.db2.gz GARFVRYRSHPZOC-UHFFFAOYSA-N 0 3 374.828 3.290 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000154527651 495643437 /nfs/dbraw/zinc/64/34/37/495643437.db2.gz CZXOKDDXKIRQOI-LJQANCHMSA-N 0 3 366.421 3.384 20 5 FGBDHN CN(C)C[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182632418 495643494 /nfs/dbraw/zinc/64/34/94/495643494.db2.gz VADJQSWZTZVJDI-ZDUSSCGKSA-N 0 3 371.890 3.283 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](OCCO)C2)s1 ZINC000179574947 495647492 /nfs/dbraw/zinc/64/74/92/495647492.db2.gz TZMJCVXOAITHRB-AWEZNQCLSA-N 0 3 362.451 3.297 20 5 FGBDHN COc1cccc2c1CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000182707885 495671089 /nfs/dbraw/zinc/67/10/89/495671089.db2.gz GKZIOPQSIYSGFZ-UHFFFAOYSA-N 0 3 369.421 3.299 20 5 FGBDHN Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000150977653 495700001 /nfs/dbraw/zinc/70/00/01/495700001.db2.gz RYHVNZSJCIKAHI-SFHVURJKSA-N 0 3 359.401 3.004 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H](C(C)C)C1 ZINC000173858449 495722091 /nfs/dbraw/zinc/72/20/91/495722091.db2.gz FCDRBHDUXRYDCZ-INIZCTEOSA-N 0 3 351.472 3.305 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000173868414 495725834 /nfs/dbraw/zinc/72/58/34/495725834.db2.gz CPTYGMRDMKQBJV-GFCCVEGCSA-N 0 3 373.375 3.464 20 5 FGBDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176707190 495756230 /nfs/dbraw/zinc/75/62/30/495756230.db2.gz HVOPKMAEGVMHAP-VOJFVSQTSA-N 0 3 365.345 3.310 20 5 FGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC(CCCN2CCOCC2)CC1 ZINC000182949843 495772101 /nfs/dbraw/zinc/77/21/01/495772101.db2.gz BNBQCSQKOSDMBL-UHFFFAOYSA-N 0 3 365.449 3.058 20 5 FGBDHN C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000154974774 495790617 /nfs/dbraw/zinc/79/06/17/495790617.db2.gz URGCRFIWEJFPIP-OXQOHEQNSA-N 0 3 355.438 3.146 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000174245320 495879774 /nfs/dbraw/zinc/87/97/74/495879774.db2.gz SQTJFJHKTWMRIC-UHFFFAOYSA-N 0 3 362.348 3.407 20 5 FGBDHN Cc1ccc(S(=O)(=O)CCCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180412375 495985410 /nfs/dbraw/zinc/98/54/10/495985410.db2.gz GXNFICALWPOTFR-OAHLLOKOSA-N 0 3 362.451 3.418 20 5 FGBDHN C[C@@H](NC(C)(C)CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183592505 496040147 /nfs/dbraw/zinc/04/01/47/496040147.db2.gz LFKZBYJXCCEDNP-CYBMUJFWSA-N 0 3 357.414 3.241 20 5 FGBDHN COC(=O)[C@@H](C)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000177413135 496052753 /nfs/dbraw/zinc/05/27/53/496052753.db2.gz LSLPVNUUAWSOJR-KBXCAEBGSA-N 0 3 358.394 3.114 20 5 FGBDHN C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000180589242 496058293 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Cc1cc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000174955760 496181295 /nfs/dbraw/zinc/18/12/95/496181295.db2.gz MKONVFADQXSCFV-GOSISDBHSA-N 0 3 367.449 3.497 20 5 FGBDHN Cc1c([C@H](C)NCc2ccc(Cn3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000177774131 496189712 /nfs/dbraw/zinc/18/97/12/496189712.db2.gz NPWWSELCSOBANI-HNNXBMFYSA-N 0 3 351.410 3.394 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H](C)c1nccs1 ZINC000184014979 496201732 /nfs/dbraw/zinc/20/17/32/496201732.db2.gz XUHQIHGPNXIERF-CYBMUJFWSA-N 0 3 362.455 3.424 20 5 FGBDHN Cc1cc2ncn(C[C@@H](O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000180935686 496207756 /nfs/dbraw/zinc/20/77/56/496207756.db2.gz DECQTDWUFXEOOA-QAPCUYQASA-N 0 3 368.437 3.273 20 5 FGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC[C@H](F)C2)c1 ZINC000574680063 505829754 /nfs/dbraw/zinc/82/97/54/505829754.db2.gz PQOKTIFSKPMRQR-ONGXEEELSA-N 0 3 364.158 3.180 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000152697773 496229690 /nfs/dbraw/zinc/22/96/90/496229690.db2.gz VMGYCNAEOGTQMY-CYBMUJFWSA-N 0 3 361.471 3.006 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000153099070 496353128 /nfs/dbraw/zinc/35/31/28/496353128.db2.gz OGKUEENQNUZQLF-CQSZACIVSA-N 0 3 363.458 3.483 20 5 FGBDHN COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187254084 496362594 /nfs/dbraw/zinc/36/25/94/496362594.db2.gz CCLVSGABXPTGJN-UGSOOPFHSA-N 0 3 357.410 3.025 20 5 FGBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000163014607 496449706 /nfs/dbraw/zinc/44/97/06/496449706.db2.gz GSBMGOIDLHLDBS-KCQAQPDRSA-N 0 3 355.394 3.076 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(C(F)(F)F)c1 ZINC000181603167 496466082 /nfs/dbraw/zinc/46/60/82/496466082.db2.gz ZVIRVVIODDHXSL-NSHDSACASA-N 0 3 355.316 3.126 20 5 FGBDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000181662798 496491591 /nfs/dbraw/zinc/49/15/91/496491591.db2.gz AURYKRIPDFJJAZ-KRWDZBQOSA-N 0 3 359.401 3.190 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000172981712 496508733 /nfs/dbraw/zinc/50/87/33/496508733.db2.gz JURSKGMTWINFOJ-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000175864589 496577962 /nfs/dbraw/zinc/57/79/62/496577962.db2.gz RECUPCAQZXMANR-GDBMZVCRSA-N 0 3 364.471 3.221 20 5 FGBDHN O=[N+]([O-])c1cnn(CCNC2(c3cccc(Br)c3)CCC2)c1 ZINC000157898979 496580843 /nfs/dbraw/zinc/58/08/43/496580843.db2.gz AIIBFNWCLKKESJ-UHFFFAOYSA-N 0 3 365.231 3.223 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN(CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000157929798 496588216 /nfs/dbraw/zinc/58/82/16/496588216.db2.gz WNGJQOAEJQJIHY-UHFFFAOYSA-N 0 3 369.400 3.070 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000569106366 505854536 /nfs/dbraw/zinc/85/45/36/505854536.db2.gz ZFVCYXAHZJWOGG-SCLBCKFNSA-N 0 3 371.462 3.160 20 5 FGBDHN CSc1cccc(C(=O)NCC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000188015465 496652405 /nfs/dbraw/zinc/65/24/05/496652405.db2.gz SNOFLIVYQOWVFF-UHFFFAOYSA-N 0 3 351.472 3.311 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000578094197 505859561 /nfs/dbraw/zinc/85/95/61/505859561.db2.gz MZBPUVQEVLYLIR-UHFFFAOYSA-N 0 3 363.506 3.456 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000182153105 496690112 /nfs/dbraw/zinc/69/01/12/496690112.db2.gz OKRUNLVOLSVFJX-IBGZPJMESA-N 0 3 374.462 3.500 20 5 FGBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000182175723 496698046 /nfs/dbraw/zinc/69/80/46/496698046.db2.gz KCUUJFYMHRITBE-WFASDCNBSA-N 0 3 350.802 3.339 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000185316529 496728322 /nfs/dbraw/zinc/72/83/22/496728322.db2.gz AEJLNYKMPRRBLH-HNNXBMFYSA-N 0 3 359.451 3.297 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000273317411 496772302 /nfs/dbraw/zinc/77/23/02/496772302.db2.gz VUAVHBAJOQSXHF-LLVKDONJSA-N 0 3 373.375 3.416 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1n1cccn1 ZINC000578123091 505867681 /nfs/dbraw/zinc/86/76/81/505867681.db2.gz NZCYXFIPHALQOB-HCXYKTFWSA-N 0 3 356.426 3.177 20 5 FGBDHN COC(=O)[C@@](C)(CNC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191578438 496819370 /nfs/dbraw/zinc/81/93/70/496819370.db2.gz CKTVMHQOPPDOAU-MFUYTVRRSA-N 0 3 354.406 3.329 20 5 FGBDHN O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730470 496868751 /nfs/dbraw/zinc/86/87/51/496868751.db2.gz BHPHQBMOPPYTIP-OALUTQOASA-N 0 3 361.445 3.450 20 5 FGBDHN Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000195691491 496960727 /nfs/dbraw/zinc/96/07/27/496960727.db2.gz ORIPJMCIVQPJBW-LJQANCHMSA-N 0 3 353.422 3.470 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cccc1[N+](=O)[O-] ZINC000269924425 497025717 /nfs/dbraw/zinc/02/57/17/497025717.db2.gz BLCCOENYJSXEHD-JFTQMJAMSA-N 0 3 373.453 3.168 20 5 FGBDHN COC1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265219819 497074355 /nfs/dbraw/zinc/07/43/55/497074355.db2.gz OGNWIBBFNUDREA-UHFFFAOYSA-N 0 3 355.822 3.076 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC3(CO)CCOCC3)o2)c(Cl)c1 ZINC000265289758 497090871 /nfs/dbraw/zinc/09/08/71/497090871.db2.gz ZGIUGWLVJXDRSZ-UHFFFAOYSA-N 0 3 366.801 3.139 20 5 FGBDHN O=C1C[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000270303655 497098519 /nfs/dbraw/zinc/09/85/19/497098519.db2.gz SPQDVRFVXYOSJO-HNNXBMFYSA-N 0 3 373.840 3.387 20 5 FGBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCN(C2CCCC2)CC1 ZINC000265712746 497166092 /nfs/dbraw/zinc/16/60/92/497166092.db2.gz HOIPFGFJGOJGDR-UHFFFAOYSA-N 0 3 356.426 3.167 20 5 FGBDHN COc1ccc(CNCC2(O)CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237334080 497222507 /nfs/dbraw/zinc/22/25/07/497222507.db2.gz KQVXTUJZWBMQSP-UHFFFAOYSA-N 0 3 372.421 3.187 20 5 FGBDHN C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000237354418 497225386 /nfs/dbraw/zinc/22/53/86/497225386.db2.gz FJRMPPZJHXEJGX-HUUCEWRRSA-N 0 3 368.437 3.029 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000249725304 497237104 /nfs/dbraw/zinc/23/71/04/497237104.db2.gz PLAIMRIORFYNDY-MJGOQNOKSA-N 0 3 360.385 3.311 20 5 FGBDHN CN(Cc1cccc(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331466 497352252 /nfs/dbraw/zinc/35/22/52/497352252.db2.gz TYNFBVNQSITKNP-OAHLLOKOSA-N 0 3 350.802 3.120 20 5 FGBDHN CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000245433790 497403354 /nfs/dbraw/zinc/40/33/54/497403354.db2.gz PJTTZDGNNIPNTF-RDTXWAMCSA-N 0 3 360.410 3.123 20 5 FGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000271676857 497416197 /nfs/dbraw/zinc/41/61/97/497416197.db2.gz OGEZNXMCINLDLI-CYBMUJFWSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245514348 497436555 /nfs/dbraw/zinc/43/65/55/497436555.db2.gz BSOWBSHKLIGASN-IEBWSBKVSA-N 0 3 360.502 3.066 20 5 FGBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000271753645 497439952 /nfs/dbraw/zinc/43/99/52/497439952.db2.gz TZPKGUNCRFVJND-CQSZACIVSA-N 0 3 360.414 3.022 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000581093586 505907732 /nfs/dbraw/zinc/90/77/32/505907732.db2.gz JGKMZVXZWWNNQA-FQEVSTJZSA-N 0 3 369.469 3.222 20 5 FGBDHN CC[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246039217 497602138 /nfs/dbraw/zinc/60/21/38/497602138.db2.gz WYIBXDHQKNWMBK-RYQLBKOJSA-N 0 3 360.458 3.172 20 5 FGBDHN Cc1noc(C[C@@H](NCCOc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277199954 497773364 /nfs/dbraw/zinc/77/33/64/497773364.db2.gz MNTHAJIJSGOJJT-GOSISDBHSA-N 0 3 368.393 3.239 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1ccccn1 ZINC000299568613 497850161 /nfs/dbraw/zinc/85/01/61/497850161.db2.gz HBQUYYSOSUKDMW-CYBMUJFWSA-N 0 3 358.398 3.020 20 5 FGBDHN CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000364618933 498053668 /nfs/dbraw/zinc/05/36/68/498053668.db2.gz BECNNDIKUBMLKB-RDTXWAMCSA-N 0 3 359.451 3.008 20 5 FGBDHN O=C(NC1CCN(C2CCC2)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000296859752 498226595 /nfs/dbraw/zinc/22/65/95/498226595.db2.gz GMSYOHIQFBAAFQ-UHFFFAOYSA-N 0 3 371.359 3.360 20 5 FGBDHN CC(C)N1CCN(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000286054525 498279178 /nfs/dbraw/zinc/27/91/78/498279178.db2.gz ABURDSDDDRPGKW-UHFFFAOYSA-N 0 3 366.893 3.243 20 5 FGBDHN C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000301960171 498345988 /nfs/dbraw/zinc/34/59/88/498345988.db2.gz MFNRXHVIQDYLDE-GDBMZVCRSA-N 0 3 366.425 3.103 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000361418823 498389195 /nfs/dbraw/zinc/38/91/95/498389195.db2.gz UOGMIAAWFPERJH-GOSISDBHSA-N 0 3 367.449 3.497 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000331620013 498396056 /nfs/dbraw/zinc/39/60/56/498396056.db2.gz TXPGPPGABDEJPS-DZKIICNBSA-N 0 3 363.483 3.161 20 5 FGBDHN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN(C2CCC2)C1 ZINC000293588262 498422153 /nfs/dbraw/zinc/42/21/53/498422153.db2.gz BRVRAVMQBPABBX-ZDUSSCGKSA-N 0 3 357.410 3.287 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302675674 498529141 /nfs/dbraw/zinc/52/91/41/498529141.db2.gz PTGUMIOXRDRALI-OAHLLOKOSA-N 0 3 371.485 3.137 20 5 FGBDHN CC(C)[C@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000293987562 498554354 /nfs/dbraw/zinc/55/43/54/498554354.db2.gz LKBURDAXFLYRCY-HXUWFJFHSA-N 0 3 372.469 3.226 20 5 FGBDHN Cc1c(CN2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108136 498563464 /nfs/dbraw/zinc/56/34/64/498563464.db2.gz HOACVHRIDWSUHU-HOTGVXAUSA-N 0 3 361.486 3.224 20 5 FGBDHN CC(C)(NC(=O)C1C[C@@H](c2ccccc2)OC1=O)c1ccccc1[N+](=O)[O-] ZINC000294202721 498619051 /nfs/dbraw/zinc/61/90/51/498619051.db2.gz TUWLKTNYWBDKLE-YOEHRIQHSA-N 0 3 368.389 3.251 20 5 FGBDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCF ZINC000282717147 498624172 /nfs/dbraw/zinc/62/41/72/498624172.db2.gz LUNOVODSHDBHFN-NWDGAFQWSA-N 0 3 365.430 3.448 20 5 FGBDHN Cc1c(NC(=O)CCN2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298246356 498708888 /nfs/dbraw/zinc/70/88/88/498708888.db2.gz JTQHCSFAOLDTPU-GOEBONIOSA-N 0 3 353.369 3.209 20 5 FGBDHN COc1ccc(CN(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000572921453 506083791 /nfs/dbraw/zinc/08/37/91/506083791.db2.gz LQJVHDACIRQQGS-UHFFFAOYSA-N 0 3 361.417 3.306 20 5 FGBDHN Cc1cnc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000312091295 498755958 /nfs/dbraw/zinc/75/59/58/498755958.db2.gz ZMVOYSMFIIWHMA-MSOLQXFVSA-N 0 3 352.438 3.257 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000312800871 498763965 /nfs/dbraw/zinc/76/39/65/498763965.db2.gz QJFGGBZJUWJOKG-RHSMWYFYSA-N 0 3 368.437 3.029 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000294797640 498809660 /nfs/dbraw/zinc/80/96/60/498809660.db2.gz BGNJFWXITVEHQT-FUHWJXTLSA-N 0 3 361.486 3.333 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc3c(c2)OCCCO3)n1 ZINC000579193460 506113782 /nfs/dbraw/zinc/11/37/82/506113782.db2.gz PMZNBLHREAROJH-CVEARBPZSA-N 0 3 372.425 3.226 20 5 FGBDHN CCC[C@@H](N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363760479 498979654 /nfs/dbraw/zinc/97/96/54/498979654.db2.gz YXUVKMQUMFWHGM-IEBWSBKVSA-N 0 3 368.437 3.335 20 5 FGBDHN C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000291723243 499047746 /nfs/dbraw/zinc/04/77/46/499047746.db2.gz RFGDOFXBBPFYJU-VIFPVBQESA-N 0 3 358.225 3.282 20 5 FGBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291825215 499079045 /nfs/dbraw/zinc/07/90/45/499079045.db2.gz BKHMVTGHTBTZJP-SDBXPKJASA-N 0 3 358.225 3.114 20 5 FGBDHN O=c1cc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c2c(ccc3ccccc32)o1 ZINC000367053980 499140110 /nfs/dbraw/zinc/14/01/10/499140110.db2.gz HWADORLHSPFVMA-HTAPYJJXSA-N 0 3 362.429 3.093 20 5 FGBDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370162088 499190562 /nfs/dbraw/zinc/19/05/62/499190562.db2.gz NIITWMBVCOHKMD-GDBMZVCRSA-N 0 3 368.437 3.013 20 5 FGBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000367383693 499192574 /nfs/dbraw/zinc/19/25/74/499192574.db2.gz HVKRBYFTQCMGTM-UHFFFAOYSA-N 0 3 354.391 3.103 20 5 FGBDHN C[C@@H](COc1cccc(F)c1)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582117607 506137825 /nfs/dbraw/zinc/13/78/25/506137825.db2.gz XPWLLATWTZAHFD-ZDUSSCGKSA-N 0 3 361.373 3.120 20 5 FGBDHN CCC[C@H](N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370669345 499242251 /nfs/dbraw/zinc/24/22/51/499242251.db2.gz JJBQHFMONMNLEG-HKUYNNGSSA-N 0 3 368.437 3.335 20 5 FGBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccc(F)c2)CC1 ZINC000371005771 499279563 /nfs/dbraw/zinc/27/95/63/499279563.db2.gz PLBNSMCPHFJUJT-HXUWFJFHSA-N 0 3 373.428 3.368 20 5 FGBDHN O=C1CC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C2CC2)N1 ZINC000368499158 499302253 /nfs/dbraw/zinc/30/22/53/499302253.db2.gz NRGSBNMPBWCGBC-VQIMIIECSA-N 0 3 355.394 3.002 20 5 FGBDHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(c2ccncc2)CC1 ZINC000368955487 499350361 /nfs/dbraw/zinc/35/03/61/499350361.db2.gz USZUBZDZAMEUFV-UHFFFAOYSA-N 0 3 355.398 3.123 20 5 FGBDHN Cn1ccnc1[C@@H](N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666762 499352894 /nfs/dbraw/zinc/35/28/94/499352894.db2.gz WTESDMUCRRWHGI-LPHOPBHVSA-N 0 3 369.469 3.024 20 5 FGBDHN CN1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369539348 499414522 /nfs/dbraw/zinc/41/45/22/499414522.db2.gz IAJKELAVCVECIQ-WBMJQRKESA-N 0 3 360.439 3.471 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369569009 499419640 /nfs/dbraw/zinc/41/96/40/499419640.db2.gz MRUWZXYFXLOUSX-CXAGYDPISA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372401626 499429632 /nfs/dbraw/zinc/42/96/32/499429632.db2.gz PROJAKPLSAVEHD-GUYCJALGSA-N 0 3 374.828 3.066 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1ccccn1)C1CCCC1 ZINC000373281303 499461348 /nfs/dbraw/zinc/46/13/48/499461348.db2.gz QIRXEBLIPWHSFX-OXJNMPFZSA-N 0 3 371.437 3.251 20 5 FGBDHN COCc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375728834 499549250 /nfs/dbraw/zinc/54/92/50/499549250.db2.gz CBOUCAWVLVEEGY-JXFKEZNVSA-N 0 3 370.453 3.265 20 5 FGBDHN Cc1cccc(NCC2(O)CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397496548 499564128 /nfs/dbraw/zinc/56/41/28/499564128.db2.gz AXQMYJKXJIQUBO-UHFFFAOYSA-N 0 3 355.438 3.342 20 5 FGBDHN CNc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000397999500 499565719 /nfs/dbraw/zinc/56/57/19/499565719.db2.gz MKCDTLYHAKQWCU-GOEBONIOSA-N 0 3 368.437 3.029 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376968354 499650192 /nfs/dbraw/zinc/65/01/92/499650192.db2.gz QANPYTOJXRTARE-JXFKEZNVSA-N 0 3 370.453 3.171 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H](c4nnc[nH]4)C3)o2)c1 ZINC000377245786 499673450 /nfs/dbraw/zinc/67/34/50/499673450.db2.gz OQECIEOULBPTFG-AWEZNQCLSA-N 0 3 353.382 3.353 20 5 FGBDHN COc1ccc(NC(=O)CCN(Cc2cccnc2)C(C)C)c([N+](=O)[O-])c1 ZINC000411407189 499736002 /nfs/dbraw/zinc/73/60/02/499736002.db2.gz IAZZUACHOMWEMH-UHFFFAOYSA-N 0 3 372.425 3.238 20 5 FGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCC(C)(C)S(C)(=O)=O ZINC000414251075 499771297 /nfs/dbraw/zinc/77/12/97/499771297.db2.gz GSZFHSVGVPXIKX-ZDUSSCGKSA-N 0 3 374.528 3.268 20 5 FGBDHN CN(C(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000412073483 499820895 /nfs/dbraw/zinc/82/08/95/499820895.db2.gz MFPOHVNIHWKZQB-CVEARBPZSA-N 0 3 363.458 3.129 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CNCCC3(F)F)s2)cc1 ZINC000415008008 499854568 /nfs/dbraw/zinc/85/45/68/499854568.db2.gz VLEYYBCNBUPGRM-OAHLLOKOSA-N 0 3 353.394 3.410 20 5 FGBDHN CN(C)[C@@H](CC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000416244776 499993632 /nfs/dbraw/zinc/99/36/32/499993632.db2.gz RIAZXRFRQBVPOJ-IBGZPJMESA-N 0 3 355.438 3.289 20 5 FGBDHN CC(C)(NCCCN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000429237427 500029385 /nfs/dbraw/zinc/02/93/85/500029385.db2.gz OFRFODPBZOMJAR-UHFFFAOYSA-N 0 3 367.405 3.106 20 5 FGBDHN COc1ccc(COC[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429261665 500036643 /nfs/dbraw/zinc/03/66/43/500036643.db2.gz BWIXVOCJQWRSID-INIZCTEOSA-N 0 3 374.437 3.006 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000421464735 500055771 /nfs/dbraw/zinc/05/57/71/500055771.db2.gz XNNKDFGAJLUPMA-INIZCTEOSA-N 0 3 353.422 3.345 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H](N2CCCCC2)C1 ZINC000425409951 500096716 /nfs/dbraw/zinc/09/67/16/500096716.db2.gz WRGKZNLLTXYVDJ-HNNXBMFYSA-N 0 3 368.275 3.418 20 5 FGBDHN Cc1cccc2c1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000429571980 500105701 /nfs/dbraw/zinc/10/57/01/500105701.db2.gz FUCREMHDVBCLEZ-UHFFFAOYSA-N 0 3 367.405 3.260 20 5 FGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000425622778 500162517 /nfs/dbraw/zinc/16/25/17/500162517.db2.gz KHGZYOHLTDCLFH-GOSISDBHSA-N 0 3 353.422 3.047 20 5 FGBDHN Cn1cc(CN2CCOC[C@H](C3CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430142687 500199238 /nfs/dbraw/zinc/19/92/38/500199238.db2.gz CNFKVFQTKTYUHQ-GOSISDBHSA-N 0 3 370.453 3.244 20 5 FGBDHN CC[C@H](O)CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000422085332 500212864 /nfs/dbraw/zinc/21/28/64/500212864.db2.gz MBUCAVCZIMIVGV-KRWDZBQOSA-N 0 3 360.410 3.043 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OCC3CC3)CC2)n1 ZINC000426000548 500223586 /nfs/dbraw/zinc/22/35/86/500223586.db2.gz SVAVLWAZLPGKOF-UHFFFAOYSA-N 0 3 356.426 3.417 20 5 FGBDHN CCc1ccccc1[C@@H](N)CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000418648388 500300841 /nfs/dbraw/zinc/30/08/41/500300841.db2.gz HTTPFWWGJXPTAX-SFHVURJKSA-N 0 3 370.453 3.041 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)Cc1ccc(C)cc1 ZINC000419333075 500354803 /nfs/dbraw/zinc/35/48/03/500354803.db2.gz LGWBXDXPHYQAPA-UHFFFAOYSA-N 0 3 371.437 3.461 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CCO)CC1 ZINC000421024937 500558098 /nfs/dbraw/zinc/55/80/98/500558098.db2.gz XQCACQLUSIOMGZ-UONOGXRCSA-N 0 3 360.414 3.190 20 5 FGBDHN CCOc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1OC ZINC000447529624 500617924 /nfs/dbraw/zinc/61/79/24/500617924.db2.gz MHBIQWTYULCEOG-CVEARBPZSA-N 0 3 374.441 3.472 20 5 FGBDHN CC(C)NC(=O)c1ccc(NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447810326 500667750 /nfs/dbraw/zinc/66/77/50/500667750.db2.gz IFNSBXPAQNBJSO-QGZVFWFLSA-N 0 3 362.474 3.265 20 5 FGBDHN C[C@@H](OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000570675246 506212962 /nfs/dbraw/zinc/21/29/62/506212962.db2.gz AZHNBUXENJFQKT-ACJLOTCBSA-N 0 3 364.829 3.477 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]1Cc1ccccc1 ZINC000437827588 500702369 /nfs/dbraw/zinc/70/23/69/500702369.db2.gz HDTUTZQFNQQMAT-MRXNPFEDSA-N 0 3 369.421 3.249 20 5 FGBDHN Cn1cnc([N+](=O)[O-])c1N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000444083749 500801112 /nfs/dbraw/zinc/80/11/12/500801112.db2.gz LMZWNFKAHLITAZ-MRXNPFEDSA-N 0 3 357.458 3.213 20 5 FGBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434359568 500831867 /nfs/dbraw/zinc/83/18/67/500831867.db2.gz WQNOMRFQQYMJEL-IBGZPJMESA-N 0 3 372.469 3.286 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000602582806 506223376 /nfs/dbraw/zinc/22/33/76/506223376.db2.gz OPOCCDUFNXBWOE-HIFRSBDPSA-N 0 3 360.332 3.041 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000439641552 500922068 /nfs/dbraw/zinc/92/20/68/500922068.db2.gz OQXPKQHXCLCSKH-NSNWQYSKSA-N 0 3 361.442 3.023 20 5 FGBDHN COC(=O)c1cc(NC[C@@H](c2ccccc2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440718590 501042640 /nfs/dbraw/zinc/04/26/40/501042640.db2.gz XXWKHSCRCCHFPH-KRWDZBQOSA-N 0 3 357.410 3.405 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000436089777 501068566 /nfs/dbraw/zinc/06/85/66/501068566.db2.gz KFVDIFCNZFJHLH-UHFFFAOYSA-N 0 3 354.838 3.492 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000446103002 501075154 /nfs/dbraw/zinc/07/51/54/501075154.db2.gz LPKCENRPQMATKI-AAEUAGOBSA-N 0 3 353.850 3.407 20 5 FGBDHN COc1ccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000449814301 501095680 /nfs/dbraw/zinc/09/56/80/501095680.db2.gz KJGVTPUJLWBVLZ-INIZCTEOSA-N 0 3 361.442 3.017 20 5 FGBDHN Cc1nc(N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347267 501096329 /nfs/dbraw/zinc/09/63/29/501096329.db2.gz OUMNJKOWAUVAED-YOEHRIQHSA-N 0 3 355.442 3.183 20 5 FGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849078 501173588 /nfs/dbraw/zinc/17/35/88/501173588.db2.gz LKXNBWRTDZJVIO-GOEBONIOSA-N 0 3 365.437 3.396 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451477625 501301645 /nfs/dbraw/zinc/30/16/45/501301645.db2.gz HXAZNZBSVTWBOJ-LSDHHAIUSA-N 0 3 367.833 3.124 20 5 FGBDHN CNC(=O)c1cccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451544873 501318303 /nfs/dbraw/zinc/31/83/03/501318303.db2.gz GBVPJHZRVZBSMP-GOSISDBHSA-N 0 3 353.422 3.334 20 5 FGBDHN CC(C)OCCOC1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453364841 501320097 /nfs/dbraw/zinc/32/00/97/501320097.db2.gz OROOJFMPUIHMCU-INIZCTEOSA-N 0 3 350.459 3.432 20 5 FGBDHN CC(C)OCCOC1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453364844 501320511 /nfs/dbraw/zinc/32/05/11/501320511.db2.gz OROOJFMPUIHMCU-MRXNPFEDSA-N 0 3 350.459 3.432 20 5 FGBDHN C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000457895161 501330019 /nfs/dbraw/zinc/33/00/19/501330019.db2.gz ARJFDYWKDMWGRB-YJBOKZPZSA-N 0 3 370.453 3.128 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453592017 501356300 /nfs/dbraw/zinc/35/63/00/501356300.db2.gz SEYRWCGUQWQPBI-FQEVSTJZSA-N 0 3 368.437 3.121 20 5 FGBDHN COC(=O)CCCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602659655 506249778 /nfs/dbraw/zinc/24/97/78/506249778.db2.gz QJSHYAADUKBUOR-UHFFFAOYSA-N 0 3 365.249 3.242 20 5 FGBDHN COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1ccccc1 ZINC000451997584 501416046 /nfs/dbraw/zinc/41/60/46/501416046.db2.gz ALHFIHUZXAVFCE-MSOLQXFVSA-N 0 3 354.406 3.292 20 5 FGBDHN COc1ccc(C[NH+]2CCC(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596095047 506254487 /nfs/dbraw/zinc/25/44/87/506254487.db2.gz NONJFVNYZHFNSP-UHFFFAOYSA-N 0 3 372.425 3.028 20 5 FGBDHN CC[C@@H](NC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526793 501465911 /nfs/dbraw/zinc/46/59/11/501465911.db2.gz YFRZBSLBQBSGCG-KBXCAEBGSA-N 0 3 360.458 3.172 20 5 FGBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CN1CCCC1 ZINC000457059882 501642623 /nfs/dbraw/zinc/64/26/23/501642623.db2.gz XHECDYLRFBACNV-GFCCVEGCSA-N 0 3 369.849 3.006 20 5 FGBDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455096408 501687222 /nfs/dbraw/zinc/68/72/22/501687222.db2.gz RPYVKMIHGRSXBZ-MAUKXSAKSA-N 0 3 368.437 3.230 20 5 FGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000467227726 501745364 /nfs/dbraw/zinc/74/53/64/501745364.db2.gz WKPFGPKIBCSSDX-HNNXBMFYSA-N 0 3 366.849 3.018 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)nc1-c1ccc(F)cc1 ZINC000485395959 501807950 /nfs/dbraw/zinc/80/79/50/501807950.db2.gz IMQZOWJMPNQRSF-MRXNPFEDSA-N 0 3 354.385 3.246 20 5 FGBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1=CCN(C)CC1 ZINC000485414587 501815269 /nfs/dbraw/zinc/81/52/69/501815269.db2.gz XNQLYVWWFAMNJI-ZDUSSCGKSA-N 0 3 356.401 3.280 20 5 FGBDHN CCN1CCN(Cc2ccccc2CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000481707261 501855947 /nfs/dbraw/zinc/85/59/47/501855947.db2.gz QYLDLVVSLNOSPU-UHFFFAOYSA-N 0 3 369.469 3.048 20 5 FGBDHN C[C@H](NC[C@H](C)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467841544 501888526 /nfs/dbraw/zinc/88/85/26/501888526.db2.gz VBHCUTCVJJILEG-ROUUACIJSA-N 0 3 368.481 3.456 20 5 FGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485682847 501900210 /nfs/dbraw/zinc/90/02/10/501900210.db2.gz MRUNIGZYWMRVHQ-GFCCVEGCSA-N 0 3 371.384 3.191 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]1c1ccccc1 ZINC000471180207 501948123 /nfs/dbraw/zinc/94/81/23/501948123.db2.gz AXRUDBPFDAOWQQ-QGZVFWFLSA-N 0 3 355.394 3.379 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1c1ccccc1 ZINC000471180206 501948279 /nfs/dbraw/zinc/94/82/79/501948279.db2.gz AXRUDBPFDAOWQQ-KRWDZBQOSA-N 0 3 355.394 3.379 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485837789 501956355 /nfs/dbraw/zinc/95/63/55/501956355.db2.gz BXELJLXLJZSXLO-GXTWGEPZSA-N 0 3 373.434 3.295 20 5 FGBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000482145567 501989103 /nfs/dbraw/zinc/98/91/03/501989103.db2.gz DVLSFUOHVGAQQJ-XOKHGSTOSA-N 0 3 363.458 3.495 20 5 FGBDHN O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc(CN2CCCC2)c1 ZINC000461263291 502055596 /nfs/dbraw/zinc/05/55/96/502055596.db2.gz LJAZPYAJAAFYBT-UHFFFAOYSA-N 0 3 353.422 3.163 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468483071 502074974 /nfs/dbraw/zinc/07/49/74/502074974.db2.gz GYKGOJKOODFWRL-AWEZNQCLSA-N 0 3 353.850 3.407 20 5 FGBDHN CSc1cccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000468493930 502079800 /nfs/dbraw/zinc/07/98/00/502079800.db2.gz YTUSOGIAHQCOBB-CQSZACIVSA-N 0 3 351.472 3.167 20 5 FGBDHN COCC[C@@H]1CCCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000468700557 502151462 /nfs/dbraw/zinc/15/14/62/502151462.db2.gz SIBALOQCKIIOKH-AWEZNQCLSA-N 0 3 352.431 3.251 20 5 FGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNCCn1c(=O)[nH]c2ccccc21 ZINC000468748394 502169853 /nfs/dbraw/zinc/16/98/53/502169853.db2.gz QINAYDFCRPDTNZ-KAMYIIQDSA-N 0 3 352.394 3.343 20 5 FGBDHN CN(C)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000479372450 502238941 /nfs/dbraw/zinc/23/89/41/502238941.db2.gz IDEJBIVRXJUYGP-UHFFFAOYSA-N 0 3 361.829 3.282 20 5 FGBDHN COc1c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cccc1[N+](=O)[O-] ZINC000475650468 502242644 /nfs/dbraw/zinc/24/26/44/502242644.db2.gz ZLAZANXJOBSBPA-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN COC(=O)COc1ccc(CN2CCC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475724927 502266163 /nfs/dbraw/zinc/26/61/63/502266163.db2.gz MVFFICWFSUUYPM-HZPDHXFCSA-N 0 3 362.426 3.301 20 5 FGBDHN COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000483402808 502375675 /nfs/dbraw/zinc/37/56/75/502375675.db2.gz HFJYYWFLYTUEOV-DZGCQCFKSA-N 0 3 352.431 3.249 20 5 FGBDHN CC(C)c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c(O)c(=O)c1 ZINC000596224304 506319589 /nfs/dbraw/zinc/31/95/89/506319589.db2.gz ZYVGAELWWZAEQG-UHFFFAOYSA-N 0 3 356.422 3.459 20 5 FGBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000487903493 502561430 /nfs/dbraw/zinc/56/14/30/502561430.db2.gz DHWTVWDHYLAECH-INIZCTEOSA-N 0 3 352.394 3.407 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)c(Cl)c1 ZINC000480455086 502573139 /nfs/dbraw/zinc/57/31/39/502573139.db2.gz SILWHYDCZQNGAX-LBPRGKRZSA-N 0 3 370.783 3.467 20 5 FGBDHN Cc1cnc(N(CCN(C)C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000470075250 502649370 /nfs/dbraw/zinc/64/93/70/502649370.db2.gz SBACLOSJTIPCOV-UHFFFAOYSA-N 0 3 350.369 3.145 20 5 FGBDHN Cc1cnc(N(CCN(C)C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000470084264 502654490 /nfs/dbraw/zinc/65/44/90/502654490.db2.gz BVANPXPFANWGSQ-UHFFFAOYSA-N 0 3 350.369 3.145 20 5 FGBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000470157566 502684894 /nfs/dbraw/zinc/68/48/94/502684894.db2.gz ZIPHGEDBQDOAJW-WFASDCNBSA-N 0 3 374.393 3.247 20 5 FGBDHN CCO[C@@H]1C[C@@H](O)C12CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470180582 502697139 /nfs/dbraw/zinc/69/71/39/502697139.db2.gz PHSWLKMUWYTIKS-JIEALELQSA-N 0 3 360.454 3.250 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC(C)(C)C1 ZINC000470278334 502723395 /nfs/dbraw/zinc/72/33/95/502723395.db2.gz DZFDHYNNXPBPGJ-QGZVFWFLSA-N 0 3 361.486 3.402 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488518001 502739473 /nfs/dbraw/zinc/73/94/73/502739473.db2.gz PIOBNLUKPDSCOV-BBRMVZONSA-N 0 3 359.451 3.297 20 5 FGBDHN Cc1c(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cccc1[N+](=O)[O-] ZINC000488681934 502780166 /nfs/dbraw/zinc/78/01/66/502780166.db2.gz WFSFSFYMXYPRLI-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN C[C@@H](c1cccnc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481198355 502781269 /nfs/dbraw/zinc/78/12/69/502781269.db2.gz NUOPUUMTEGKSDW-AWEZNQCLSA-N 0 3 366.425 3.139 20 5 FGBDHN O=C(CCN1Cc2ccc(O)cc2C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000463418263 502792130 /nfs/dbraw/zinc/79/21/30/502792130.db2.gz GCHIHTOEEBQYOZ-UHFFFAOYSA-N 0 3 367.405 3.176 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504913882 502823162 /nfs/dbraw/zinc/82/31/62/502823162.db2.gz IIKCTEWNJCGJCW-QGZVFWFLSA-N 0 3 354.410 3.381 20 5 FGBDHN CN(C)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488900999 502834497 /nfs/dbraw/zinc/83/44/97/502834497.db2.gz KZWWBMNKEIJPHI-HNNXBMFYSA-N 0 3 365.792 3.420 20 5 FGBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000505574422 502938794 /nfs/dbraw/zinc/93/87/94/502938794.db2.gz IWLWSIINGJQIRO-BFUOFWGJSA-N 0 3 359.401 3.084 20 5 FGBDHN CN(C)[C@H](CNC(=O)CSc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000509637411 502954161 /nfs/dbraw/zinc/95/41/61/502954161.db2.gz ULNLSOOVMMGQQJ-QGZVFWFLSA-N 0 3 359.451 3.106 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000501228324 502963184 /nfs/dbraw/zinc/96/31/84/502963184.db2.gz PEKIKHUQTHUYNH-QAPCUYQASA-N 0 3 353.422 3.469 20 5 FGBDHN COc1cc(CNC[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000510279324 503084546 /nfs/dbraw/zinc/08/45/46/503084546.db2.gz NOHROJSFKGBARS-SFHVURJKSA-N 0 3 372.421 3.043 20 5 FGBDHN COc1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000506467206 503120539 /nfs/dbraw/zinc/12/05/39/503120539.db2.gz QATGPZKNRXKZDM-SFHVURJKSA-N 0 3 355.438 3.310 20 5 FGBDHN O=C(c1cc(NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599163134 506353484 /nfs/dbraw/zinc/35/34/84/506353484.db2.gz BQDDBDHWTMBOEX-KRWDZBQOSA-N 0 3 372.469 3.260 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510527077 503134010 /nfs/dbraw/zinc/13/40/10/503134010.db2.gz ROGHZPPEXQRCAO-LIRRHRJNSA-N 0 3 371.437 3.333 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510556664 503144180 /nfs/dbraw/zinc/14/41/80/503144180.db2.gz YZHFDHDHRGBSHI-IFXJQAMLSA-N 0 3 371.437 3.333 20 5 FGBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000510875793 503208700 /nfs/dbraw/zinc/20/87/00/503208700.db2.gz FNSPBSIMLPIWDG-HOTGVXAUSA-N 0 3 362.474 3.042 20 5 FGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950943 503223623 /nfs/dbraw/zinc/22/36/23/503223623.db2.gz MEDFIHPQDALFEU-QWHCGFSZSA-N 0 3 373.375 3.436 20 5 FGBDHN CCN1CCN(c2ccccc2CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507175457 503244058 /nfs/dbraw/zinc/24/40/58/503244058.db2.gz VSBTWCLWTQWNNK-UHFFFAOYSA-N 0 3 368.481 3.369 20 5 FGBDHN COCC[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000507483191 503306638 /nfs/dbraw/zinc/30/66/38/503306638.db2.gz REIQRCVOJHCOST-XJKSGUPXSA-N 0 3 361.398 3.272 20 5 FGBDHN C/C(=C\c1ccccc1)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235462 503509159 /nfs/dbraw/zinc/50/91/59/503509159.db2.gz WSWZCPQIHUBISN-FXFXYLOPSA-N 0 3 356.422 3.370 20 5 FGBDHN C/C(=C/c1ccccc1)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235464 503509473 /nfs/dbraw/zinc/50/94/73/503509473.db2.gz WSWZCPQIHUBISN-XOQYZJNISA-N 0 3 356.422 3.370 20 5 FGBDHN COC(=O)C[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000516890867 503610448 /nfs/dbraw/zinc/61/04/48/503610448.db2.gz TYQFUSJUVMVTPU-HXUWFJFHSA-N 0 3 372.421 3.214 20 5 FGBDHN C[C@H]1Cc2ccccc2CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532979206 503684854 /nfs/dbraw/zinc/68/48/54/503684854.db2.gz UUZMSSVSAIXKEK-AWEZNQCLSA-N 0 3 367.405 3.340 20 5 FGBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000536706546 503690493 /nfs/dbraw/zinc/69/04/93/503690493.db2.gz RHEXBGSGWZJPKN-OAHLLOKOSA-N 0 3 370.453 3.177 20 5 FGBDHN C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536836246 503736409 /nfs/dbraw/zinc/73/64/09/503736409.db2.gz WCBXNGMAWIRJNS-RYUDHWBXSA-N 0 3 368.480 3.407 20 5 FGBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000540334201 503740690 /nfs/dbraw/zinc/74/06/90/503740690.db2.gz XYNADRPFLILZBA-CVEARBPZSA-N 0 3 370.453 3.476 20 5 FGBDHN COc1cc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OCCO ZINC000517586312 503778893 /nfs/dbraw/zinc/77/88/93/503778893.db2.gz MRCDJUSLKBTFDI-SUMWQHHRSA-N 0 3 372.421 3.313 20 5 FGBDHN Cc1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C2 ZINC000543597330 503824628 /nfs/dbraw/zinc/82/46/28/503824628.db2.gz KNPWGQGOVYTHSR-KUHUBIRLSA-N 0 3 374.462 3.200 20 5 FGBDHN CN(C)CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCCC1 ZINC000541015083 503975799 /nfs/dbraw/zinc/97/57/99/503975799.db2.gz QAWLPWPQLSMMJP-UHFFFAOYSA-N 0 3 371.384 3.143 20 5 FGBDHN C[C@@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000544119771 504015499 /nfs/dbraw/zinc/01/54/99/504015499.db2.gz IGNNQFMSWCXFCF-OXJNMPFZSA-N 0 3 356.422 3.176 20 5 FGBDHN CCc1cc(N2CCN(C)[C@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537823965 504054615 /nfs/dbraw/zinc/05/46/15/504054615.db2.gz WQZMPTPAGUARSN-ZIAGYGMSSA-N 0 3 355.442 3.143 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)COC2 ZINC000537957403 504094386 /nfs/dbraw/zinc/09/43/86/504094386.db2.gz FCEZSARXCZBNTJ-CYBMUJFWSA-N 0 3 355.394 3.132 20 5 FGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccccc1N(C)C ZINC000537971145 504099836 /nfs/dbraw/zinc/09/98/36/504099836.db2.gz ASEPDOCLPDNETG-CQSZACIVSA-N 0 3 356.426 3.168 20 5 FGBDHN CN(CCc1ccccc1O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000544364473 504104133 /nfs/dbraw/zinc/10/41/33/504104133.db2.gz BDIUEZOEXCYYEZ-UHFFFAOYSA-N 0 3 366.421 3.375 20 5 FGBDHN Cc1ccc(C(C)(C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000544760289 504249169 /nfs/dbraw/zinc/24/91/69/504249169.db2.gz UYBHLWXPVBMBIG-UHFFFAOYSA-N 0 3 356.426 3.460 20 5 FGBDHN CCCN(Cc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519908659 504380362 /nfs/dbraw/zinc/38/03/62/504380362.db2.gz JHEJZCRXAIMARC-GOSISDBHSA-N 0 3 362.401 3.386 20 5 FGBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000545163225 504381540 /nfs/dbraw/zinc/38/15/40/504381540.db2.gz BYDIVEKCNGCBSF-ZIAGYGMSSA-N 0 3 365.449 3.248 20 5 FGBDHN CN(C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)Cc1ccccc1 ZINC000535256875 504385062 /nfs/dbraw/zinc/38/50/62/504385062.db2.gz GIHOFYLDINXFHE-SFHVURJKSA-N 0 3 350.422 3.150 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)CC(F)(F)F ZINC000539054287 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FGBDHN CC(C)c1ccc([C@@H]2CCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000125553211 495462175 /nfs/dbraw/zinc/46/21/75/495462175.db2.gz LERZWLIRTSQYEE-OALUTQOASA-N 0 3 358.442 3.113 20 5 FGBDHN COc1cccc(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000185359990 495546769 /nfs/dbraw/zinc/54/67/69/495546769.db2.gz DSMNMYSADJZYPO-UHFFFAOYSA-N 0 3 371.437 3.172 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000176244285 495561476 /nfs/dbraw/zinc/56/14/76/495561476.db2.gz NPHSPAIOLBMWLX-INIZCTEOSA-N 0 3 366.425 3.061 20 5 FGBDHN Cc1c([C@@H](C)NC[C@@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000158704071 495572382 /nfs/dbraw/zinc/57/23/82/495572382.db2.gz QHGRYLWPAIYUAF-IEBWSBKVSA-N 0 3 369.465 3.455 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000179405105 495578978 /nfs/dbraw/zinc/57/89/78/495578978.db2.gz XJLHUQZSNZJKLV-OAHLLOKOSA-N 0 3 371.437 3.383 20 5 FGBDHN Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179463417 495601422 /nfs/dbraw/zinc/60/14/22/495601422.db2.gz ZCLSJXCRYIDHBI-SJLPKXTDSA-N 0 3 354.410 3.470 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179473435 495605052 /nfs/dbraw/zinc/60/50/52/495605052.db2.gz PHFUCKLNIAVPKU-FUHWJXTLSA-N 0 3 354.410 3.470 20 5 FGBDHN CC(C)Oc1ccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000179527653 495628705 /nfs/dbraw/zinc/62/87/05/495628705.db2.gz BRRDONUOPNUSHO-YJBOKZPZSA-N 0 3 374.437 3.473 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1cccc(C)c1 ZINC000179587862 495651263 /nfs/dbraw/zinc/65/12/63/495651263.db2.gz ZONSGPYGOUNZNW-UHFFFAOYSA-N 0 3 357.410 3.375 20 5 FGBDHN COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)N(C)C)cc1OC ZINC000173912788 495744560 /nfs/dbraw/zinc/74/45/60/495744560.db2.gz PQUBGKLSSBAJHK-OAHLLOKOSA-N 0 3 360.414 3.030 20 5 FGBDHN C[C@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154963169 495786673 /nfs/dbraw/zinc/78/66/73/495786673.db2.gz YVBHEXRWDLPDSI-YWZLYKJASA-N 0 3 373.428 3.458 20 5 FGBDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151296363 495797408 /nfs/dbraw/zinc/79/74/08/495797408.db2.gz YKLNNPFESFEATE-UHFFFAOYSA-N 0 3 374.832 3.037 20 5 FGBDHN COCCOC[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180009181 495821262 /nfs/dbraw/zinc/82/12/62/495821262.db2.gz BNSRGXKIYFFLES-HNNXBMFYSA-N 0 3 360.410 3.340 20 5 FGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000159915895 495840119 /nfs/dbraw/zinc/84/01/19/495840119.db2.gz AYGUFQYYINKBJA-LBPRGKRZSA-N 0 3 361.348 3.006 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)CC1 ZINC000171422264 495866958 /nfs/dbraw/zinc/86/69/58/495866958.db2.gz MEWHSDRUOFXIJA-UHFFFAOYSA-N 0 3 362.474 3.247 20 5 FGBDHN CC(C)(C)C(=O)N1CCC(CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000160126640 495890050 /nfs/dbraw/zinc/89/00/50/495890050.db2.gz NKZQQMUXMGJSLR-UHFFFAOYSA-N 0 3 359.470 3.238 20 5 FGBDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000155604973 496010099 /nfs/dbraw/zinc/01/00/99/496010099.db2.gz RRDJAAISIIMDGB-HNNXBMFYSA-N 0 3 357.410 3.203 20 5 FGBDHN CN(C)Cc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000156041746 496140339 /nfs/dbraw/zinc/14/03/39/496140339.db2.gz VPUGKFUUHIJFGR-UHFFFAOYSA-N 0 3 365.393 3.299 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000186783858 496150259 /nfs/dbraw/zinc/15/02/59/496150259.db2.gz NTSJFQHVXUVNJH-UHFFFAOYSA-N 0 3 362.430 3.086 20 5 FGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000174937837 496173642 /nfs/dbraw/zinc/17/36/42/496173642.db2.gz GMAUJTYLSOZRMY-QGZVFWFLSA-N 0 3 353.422 3.189 20 5 FGBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2ccncc2)cc1 ZINC000180887636 496187531 /nfs/dbraw/zinc/18/75/31/496187531.db2.gz HCMRUMREYMSMNO-HNNXBMFYSA-N 0 3 364.405 3.169 20 5 FGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000175015792 496209008 /nfs/dbraw/zinc/20/90/08/496209008.db2.gz BCYBAOHFRVACDV-IIAWOOMASA-N 0 3 363.483 3.161 20 5 FGBDHN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C1 ZINC000186938453 496220322 /nfs/dbraw/zinc/22/03/22/496220322.db2.gz ZLQKZKASZIMBHV-CYBMUJFWSA-N 0 3 370.409 3.180 20 5 FGBDHN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C1 ZINC000186938453 496220323 /nfs/dbraw/zinc/22/03/23/496220323.db2.gz ZLQKZKASZIMBHV-CYBMUJFWSA-N 0 3 370.409 3.180 20 5 FGBDHN CCOc1ccc([C@@H](C)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000152694447 496228748 /nfs/dbraw/zinc/22/87/48/496228748.db2.gz DXEIXFQEXUOTKG-OWCLPIDISA-N 0 3 365.474 3.143 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2c1cccc2O ZINC000569030252 505833507 /nfs/dbraw/zinc/83/35/07/505833507.db2.gz XKDCPMVMFCBAEL-PXAZEXFGSA-N 0 3 355.394 3.295 20 5 FGBDHN C[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000162315831 496334369 /nfs/dbraw/zinc/33/43/69/496334369.db2.gz KSWRHPUMFVOROB-NRFANRHFSA-N 0 3 367.449 3.308 20 5 FGBDHN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187241432 496356953 /nfs/dbraw/zinc/35/69/53/496356953.db2.gz NWRAGBLOGZQBSG-QRWLVFNGSA-N 0 3 370.453 3.204 20 5 FGBDHN CCC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000181660231 496491805 /nfs/dbraw/zinc/49/18/05/496491805.db2.gz OGKBNFCCLXRWEO-INIZCTEOSA-N 0 3 351.353 3.166 20 5 FGBDHN CCC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1F ZINC000181660253 496492021 /nfs/dbraw/zinc/49/20/21/496492021.db2.gz OGKBNFCCLXRWEO-MRXNPFEDSA-N 0 3 351.353 3.166 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173048076 496532194 /nfs/dbraw/zinc/53/21/94/496532194.db2.gz SIZIUGOXFNIFAY-INIZCTEOSA-N 0 3 367.449 3.479 20 5 FGBDHN CCOc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181825888 496561682 /nfs/dbraw/zinc/56/16/82/496561682.db2.gz WVWJCYSRPKNIDG-RDJZCZTQSA-N 0 3 374.437 3.392 20 5 FGBDHN CC(=O)Nc1cccc(OCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569116279 505856402 /nfs/dbraw/zinc/85/64/02/505856402.db2.gz FNPZMDINUOQLMW-GOSISDBHSA-N 0 3 355.394 3.209 20 5 FGBDHN C[C@H](C(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185058137 496640641 /nfs/dbraw/zinc/64/06/41/496640641.db2.gz CLGPFVNYDUSQGJ-HOCLYGCPSA-N 0 3 373.428 3.127 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000182062949 496655226 /nfs/dbraw/zinc/65/52/26/496655226.db2.gz WEUWBOZJSSWLCP-MRXNPFEDSA-N 0 3 355.438 3.164 20 5 FGBDHN O=C1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CN1Cc1ccccc1 ZINC000179062028 496661652 /nfs/dbraw/zinc/66/16/52/496661652.db2.gz QERTVCXSYWGRJL-HNNXBMFYSA-N 0 3 373.840 3.387 20 5 FGBDHN CCOc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000165675539 496665109 /nfs/dbraw/zinc/66/51/09/496665109.db2.gz LSDIMRIGSKEPLO-QGZVFWFLSA-N 0 3 363.458 3.075 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000182089039 496665530 /nfs/dbraw/zinc/66/55/30/496665530.db2.gz NRBQVIAOYFPMQC-OAHLLOKOSA-N 0 3 373.478 3.324 20 5 FGBDHN COc1ccc([C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000182197710 496704630 /nfs/dbraw/zinc/70/46/30/496704630.db2.gz LFLGZJPVELFHHS-JXFKEZNVSA-N 0 3 372.421 3.084 20 5 FGBDHN C[C@H](Cn1cncn1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263843988 496742064 /nfs/dbraw/zinc/74/20/64/496742064.db2.gz ZCEZMXNGGORVPC-LLVKDONJSA-N 0 3 361.789 3.278 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000247076586 496772875 /nfs/dbraw/zinc/77/28/75/496772875.db2.gz XHHSGXURVGYNCE-FKDVYQRFSA-N 0 3 370.453 3.110 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247123355 496785675 /nfs/dbraw/zinc/78/56/75/496785675.db2.gz MUALDDGUACNBIA-SWLSCSKDSA-N 0 3 359.451 3.366 20 5 FGBDHN O=C(Nc1ccc2c(c1)CNCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269190023 496890371 /nfs/dbraw/zinc/89/03/71/496890371.db2.gz HBSWHVOARKVVNH-UHFFFAOYSA-N 0 3 352.394 3.067 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C(C)C)CC2)c1 ZINC000248013636 496943910 /nfs/dbraw/zinc/94/39/10/496943910.db2.gz CJQTWRCZRXOKKS-UHFFFAOYSA-N 0 3 351.472 3.262 20 5 FGBDHN CCS[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000248945872 497137621 /nfs/dbraw/zinc/13/76/21/497137621.db2.gz DKJFIVNTYBUJDE-IXDOHACOSA-N 0 3 363.483 3.354 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000249117802 497169806 /nfs/dbraw/zinc/16/98/06/497169806.db2.gz YSTSRDRPJSGKKS-FUHWJXTLSA-N 0 3 370.409 3.170 20 5 FGBDHN COc1cc(CNCCC[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000278643976 497177090 /nfs/dbraw/zinc/17/70/90/497177090.db2.gz LSHDSMQTHHJDSS-OAHLLOKOSA-N 0 3 374.437 3.433 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)COc1ccc(F)cc1)CCC2 ZINC000192728776 497198277 /nfs/dbraw/zinc/19/82/77/497198277.db2.gz GEFIWGGMQJHNRE-QFBILLFUSA-N 0 3 360.385 3.141 20 5 FGBDHN CNCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000237283374 497214529 /nfs/dbraw/zinc/21/45/29/497214529.db2.gz FOWNVTKMXHVLNY-UHFFFAOYSA-N 0 3 354.410 3.167 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000190016554 497326673 /nfs/dbraw/zinc/32/66/73/497326673.db2.gz STGCUFBGCQFELQ-HOTGVXAUSA-N 0 3 351.472 3.496 20 5 FGBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000253548032 497339050 /nfs/dbraw/zinc/33/90/50/497339050.db2.gz BCYBAOHFRVACDV-SQWLQELKSA-N 0 3 363.483 3.161 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000275644155 497391763 /nfs/dbraw/zinc/39/17/63/497391763.db2.gz MECWIYFHQQYSCE-UHFFFAOYSA-N 0 3 356.426 3.063 20 5 FGBDHN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)C ZINC000275759813 497423809 /nfs/dbraw/zinc/42/38/09/497423809.db2.gz ROZPHYSNRLAFNX-SNVBAGLBSA-N 0 3 359.376 3.052 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCNC[C@H]2c2ccncc2)o1 ZINC000262079543 497505184 /nfs/dbraw/zinc/50/51/84/497505184.db2.gz SWGVZCAIKZVYDS-IBGZPJMESA-N 0 3 364.405 3.396 20 5 FGBDHN CN(C)c1ccccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000267859952 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3.251 20 5 FGBDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000472359706 502329397 /nfs/dbraw/zinc/32/93/97/502329397.db2.gz MNNWMSHPYZHEPH-IAGOWNOFSA-N 0 3 363.458 3.085 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(N3CCCC3)nc2)n1 ZINC000472615946 502401340 /nfs/dbraw/zinc/40/13/40/502401340.db2.gz ZSVAEHYORPTBDO-IAGOWNOFSA-N 0 3 370.457 3.060 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483758068 502484815 /nfs/dbraw/zinc/48/48/15/502484815.db2.gz NBSUJHJFRFZBDH-UHFFFAOYSA-N 0 3 352.410 3.464 20 5 FGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)C1CCCC1 ZINC000462604187 502503995 /nfs/dbraw/zinc/50/39/95/502503995.db2.gz CTKQBWBQKBXOKN-QGZVFWFLSA-N 0 3 361.486 3.496 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656254 502524380 /nfs/dbraw/zinc/52/43/80/502524380.db2.gz LDOSRWDBCODEQP-FZKQIMNGSA-N 0 3 372.400 3.376 20 5 FGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@@H](O)COCc1ccccc1 ZINC000599091551 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3.089 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN(c2cccnn2)CC1 ZINC000470172790 502693101 /nfs/dbraw/zinc/69/31/01/502693101.db2.gz CFRZQPMAEXOPOY-DTQAZKPQSA-N 0 3 353.426 3.000 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CCN2CCOCC2)CC1 ZINC000470184767 502700213 /nfs/dbraw/zinc/70/02/13/502700213.db2.gz XBLBBQSNBJKXMH-OBGWFSINSA-N 0 3 373.497 3.432 20 5 FGBDHN Cc1cc(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000473767991 502702179 /nfs/dbraw/zinc/70/21/79/502702179.db2.gz VZYDGCJXCVCZFG-UHFFFAOYSA-N 0 3 368.437 3.124 20 5 FGBDHN CC(C)N1CCCC[C@@H]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000596255477 506331170 /nfs/dbraw/zinc/33/11/70/506331170.db2.gz YJIGXZOPJFVGGR-QGZVFWFLSA-N 0 3 356.426 3.081 20 5 FGBDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060716 502774576 /nfs/dbraw/zinc/77/45/76/502774576.db2.gz SSVZVYOBISFZIP-QAPCUYQASA-N 0 3 353.422 3.296 20 5 FGBDHN CC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(CC)CC ZINC000470520465 502803341 /nfs/dbraw/zinc/80/33/41/502803341.db2.gz IUDPFEBXSSAZDP-GOSISDBHSA-N 0 3 363.458 3.085 20 5 FGBDHN CCCN(CCN1CCCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000513143621 502862626 /nfs/dbraw/zinc/86/26/26/502862626.db2.gz FJGXQEWXGMQGBT-UHFFFAOYSA-N 0 3 373.457 3.343 20 5 FGBDHN O=C(C(C[C@@H]1CCCO1)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593019076 506339719 /nfs/dbraw/zinc/33/97/19/506339719.db2.gz PBGIJPGVZAIACI-QWHCGFSZSA-N 0 3 358.316 3.232 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000497796975 503043524 /nfs/dbraw/zinc/04/35/24/503043524.db2.gz NTRBSBMKRBNNMH-IBGZPJMESA-N 0 3 355.438 3.498 20 5 FGBDHN CCOc1ccccc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000514132569 503095841 /nfs/dbraw/zinc/09/58/41/503095841.db2.gz MYTGVCANQBYMOD-UHFFFAOYSA-N 0 3 357.410 3.454 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501947299 503114539 /nfs/dbraw/zinc/11/45/39/503114539.db2.gz NBGOWWYHDJFIRM-HOCLYGCPSA-N 0 3 356.426 3.221 20 5 FGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000510545560 503140126 /nfs/dbraw/zinc/14/01/26/503140126.db2.gz HKLFMRBUCIUGDP-FOIQADDNSA-N 0 3 355.438 3.253 20 5 FGBDHN C[C@@H](CC(N)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498370875 503171218 /nfs/dbraw/zinc/17/12/18/503171218.db2.gz AHYOPSKLPJVUIQ-NSHDSACASA-N 0 3 363.801 3.394 20 5 FGBDHN CC1(C)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000582674794 506359347 /nfs/dbraw/zinc/35/93/47/506359347.db2.gz OZPBABHCMMCISM-GFCCVEGCSA-N 0 3 356.220 3.074 20 5 FGBDHN CN(CCC(=O)c1ccc2c(c1)OCCO2)CCc1ccccc1[N+](=O)[O-] ZINC000511121040 503261024 /nfs/dbraw/zinc/26/10/24/503261024.db2.gz JTQGTULLVAQACT-UHFFFAOYSA-N 0 3 370.405 3.113 20 5 FGBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(CCCN2CCOCC2)CC1 ZINC000507705083 503351813 /nfs/dbraw/zinc/35/18/13/503351813.db2.gz VBGSRVOYACBSHX-DAXSKMNVSA-N 0 3 373.497 3.432 20 5 FGBDHN Cn1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213606 503356179 /nfs/dbraw/zinc/35/61/79/503356179.db2.gz NYEDOAPBVYNFRL-MSOLQXFVSA-N 0 3 372.469 3.224 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 ZINC000515531334 503359482 /nfs/dbraw/zinc/35/94/82/503359482.db2.gz RTWVTHOCSNMTIV-QGZVFWFLSA-N 0 3 352.394 3.109 20 5 FGBDHN NC(=O)c1ccc(NC[C@@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000493391055 503424324 /nfs/dbraw/zinc/42/43/24/503424324.db2.gz YUQHGWGMNBAFEC-ZDUSSCGKSA-N 0 3 374.466 3.079 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1C(F)(F)F ZINC000516048734 503437214 /nfs/dbraw/zinc/43/72/14/503437214.db2.gz LSYPJZHTYGEDGL-CYBMUJFWSA-N 0 3 370.327 3.143 20 5 FGBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000516103184 503446237 /nfs/dbraw/zinc/44/62/37/503446237.db2.gz ATPAHPFTAAWKTI-HWWQOWPSSA-N 0 3 351.834 3.051 20 5 FGBDHN O=[N+]([O-])c1ccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC000593069763 506372512 /nfs/dbraw/zinc/37/25/12/506372512.db2.gz UNLYIPKWWRODOP-RTWAWAEBSA-N 0 3 367.449 3.070 20 5 FGBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000494026263 503476329 /nfs/dbraw/zinc/47/63/29/503476329.db2.gz HTTRPCMEZDOKMY-AUUYWEPGSA-N 0 3 371.412 3.056 20 5 FGBDHN C/C(=C\c1ccccc1)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233171 503508254 /nfs/dbraw/zinc/50/82/54/503508254.db2.gz GRTJPHFSUMVIPU-KZIRBZLESA-N 0 3 356.422 3.370 20 5 FGBDHN COC[C@H](CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)OC ZINC000512383227 503532929 /nfs/dbraw/zinc/53/29/29/503532929.db2.gz VLJGWYSAGQWSDN-KRWDZBQOSA-N 0 3 359.426 3.114 20 5 FGBDHN CC[C@@H]1CN(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494467678 503546869 /nfs/dbraw/zinc/54/68/69/503546869.db2.gz RLSCKBMKQGSJAP-NHCUHLMSSA-N 0 3 369.465 3.385 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494652468 503583325 /nfs/dbraw/zinc/58/33/25/503583325.db2.gz IMHPLWNHLINNDT-INIZCTEOSA-N 0 3 361.442 3.123 20 5 FGBDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000500228606 503583509 /nfs/dbraw/zinc/58/35/09/503583509.db2.gz KDKVFFGUEWYQHA-HXUWFJFHSA-N 0 3 353.422 3.247 20 5 FGBDHN CS[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000494707864 503598437 /nfs/dbraw/zinc/59/84/37/503598437.db2.gz LHFVJQPSVPKBBN-HZPDHXFCSA-N 0 3 355.891 3.260 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000509042161 503628053 /nfs/dbraw/zinc/62/80/53/503628053.db2.gz UNYCAMUGCLQNOQ-UHFFFAOYSA-N 0 3 373.400 3.498 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000500536554 503643211 /nfs/dbraw/zinc/64/32/11/503643211.db2.gz ZLKDCCNBWCXGRO-WMLDXEAASA-N 0 3 374.441 3.159 20 5 FGBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000495053140 503652789 /nfs/dbraw/zinc/65/27/89/503652789.db2.gz WXQDINFKPUIZRD-GUDVDZBRSA-N 0 3 353.422 3.189 20 5 FGBDHN COCC(=O)Nc1cccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000527039008 503652952 /nfs/dbraw/zinc/65/29/52/503652952.db2.gz NYBDCHUKTCUYDM-OQLLNIDSSA-N 0 3 369.421 3.373 20 5 FGBDHN Cc1ccc([C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000537219750 503846768 /nfs/dbraw/zinc/84/67/68/503846768.db2.gz LHANFOSMNBZUDJ-UTSMFGRCSA-N 0 3 371.437 3.173 20 5 FGBDHN CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546892992 503918998 /nfs/dbraw/zinc/91/89/98/503918998.db2.gz BZTQSEFURNJJNL-SFHVURJKSA-N 0 3 371.412 3.471 20 5 FGBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518803852 504069233 /nfs/dbraw/zinc/06/92/33/504069233.db2.gz MBGJQGYYDPXMCH-UHFFFAOYSA-N 0 3 363.364 3.077 20 5 FGBDHN COc1cc(CN[C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000544472025 504146390 /nfs/dbraw/zinc/14/63/90/504146390.db2.gz HQJDAJGPBCTZHX-QWRGUYRKSA-N 0 3 360.357 3.110 20 5 FGBDHN Cc1cc2ncn(C[C@H](O)CN[C@@H](C)c3ccccc3[N+](=O)[O-])c2cc1C ZINC000538227683 504168944 /nfs/dbraw/zinc/16/89/44/504168944.db2.gz BPBHFZZCWUCUNU-JKSUJKDBSA-N 0 3 368.437 3.273 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CC2CC2)c2ccccc2)cc1 ZINC000541739181 504238769 /nfs/dbraw/zinc/23/87/69/504238769.db2.gz YQGPDRKWEAAOCD-LJQANCHMSA-N 0 3 374.462 3.500 20 5 FGBDHN COc1ccc2cc(CN(C)CCn3cc([N+](=O)[O-])ccc3=O)ccc2c1 ZINC000534869744 504265462 /nfs/dbraw/zinc/26/54/62/504265462.db2.gz KMCRFXFNLBYQPZ-UHFFFAOYSA-N 0 3 367.405 3.050 20 5 FGBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983943 504302090 /nfs/dbraw/zinc/30/20/90/504302090.db2.gz NBVNXXNHDUVTDF-OAHLLOKOSA-N 0 3 364.405 3.080 20 5 FGBDHN CCN1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545148060 504375807 /nfs/dbraw/zinc/37/58/07/504375807.db2.gz DYJCJXCLQLNVEW-AWEZNQCLSA-N 0 3 351.422 3.002 20 5 FGBDHN CC(C)N(Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542198991 504403150 /nfs/dbraw/zinc/40/31/50/504403150.db2.gz CFJHXCRARSAKQB-QGZVFWFLSA-N 0 3 362.401 3.384 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000542276874 504435243 /nfs/dbraw/zinc/43/52/43/504435243.db2.gz FQTUSPIVILWNAP-SFHVURJKSA-N 0 3 374.412 3.386 20 5 FGBDHN Cc1ccccc1[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000542279511 504437289 /nfs/dbraw/zinc/43/72/89/504437289.db2.gz HDLJIXWOFWJYJS-SJORKVTESA-N 0 3 356.422 3.132 20 5 FGBDHN Cc1cccc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000542322348 504450309 /nfs/dbraw/zinc/45/03/09/504450309.db2.gz ULDPWNZICYSKLP-QZTJIDSGSA-N 0 3 356.422 3.132 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000539080825 504466856 /nfs/dbraw/zinc/46/68/56/504466856.db2.gz RMHNPTGSILHSRV-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@H](NCCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531944966 504483254 /nfs/dbraw/zinc/48/32/54/504483254.db2.gz NERBTXLXHJXTDC-KRWDZBQOSA-N 0 3 354.454 3.068 20 5 FGBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N(C)Cc1ccccc1 ZINC000535694351 504509964 /nfs/dbraw/zinc/50/99/64/504509964.db2.gz BZHIZONBARCQLH-AWEZNQCLSA-N 0 3 366.421 3.326 20 5 FGBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000542617653 504554685 /nfs/dbraw/zinc/55/46/85/504554685.db2.gz DWEJPYZBTNLIIP-PJSUUKDQSA-N 0 3 369.421 3.100 20 5 FGBDHN C[C@@H](NC[C@H](c1cccs1)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532187559 504566461 /nfs/dbraw/zinc/56/64/61/504566461.db2.gz OXDVDKFYKCOHOH-CRAIPNDOSA-N 0 3 374.510 3.296 20 5 FGBDHN CN(CCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000542786754 504610698 /nfs/dbraw/zinc/61/06/98/504610698.db2.gz SMOXGRATZIYQRQ-GOSISDBHSA-N 0 3 372.450 3.090 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@@H](C)Cn3ccnc3)o2)c([N+](=O)[O-])c1 ZINC000520952108 504615395 /nfs/dbraw/zinc/61/53/95/504615395.db2.gz DTDJQKFDRRUXDH-ZDUSSCGKSA-N 0 3 356.382 3.238 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000548936780 504628670 /nfs/dbraw/zinc/62/86/70/504628670.db2.gz MSQIHGXHPRYUQI-KBPBESRZSA-N 0 3 359.430 3.293 20 5 FGBDHN CCc1ccc([C@@H](CO)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000542911518 504654113 /nfs/dbraw/zinc/65/41/13/504654113.db2.gz HHYRRQNBUFNLLS-GOSISDBHSA-N 0 3 371.437 3.117 20 5 FGBDHN COCCN1CCC(Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549135346 504697680 /nfs/dbraw/zinc/69/76/80/504697680.db2.gz PNNMCJUDRKXTJB-UHFFFAOYSA-N 0 3 361.364 3.445 20 5 FGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000559105944 504783170 /nfs/dbraw/zinc/78/31/70/504783170.db2.gz LBRACPSLHOOZLY-GOSISDBHSA-N 0 3 374.412 3.181 20 5 FGBDHN CCN1CCN(CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000552933493 504790473 /nfs/dbraw/zinc/79/04/73/504790473.db2.gz ROFWTMPTUUZJBT-UHFFFAOYSA-N 0 3 361.273 3.341 20 5 FGBDHN CN(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549618286 504861194 /nfs/dbraw/zinc/86/11/94/504861194.db2.gz ZTEMARLBYYHHCT-QGZVFWFLSA-N 0 3 361.829 3.210 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000553249630 504864254 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CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567418069 505455845 /nfs/dbraw/zinc/45/58/45/505455845.db2.gz IXNIPLOFGLEZCV-NVXWUHKLSA-N 0 3 374.437 3.426 20 5 FGBDHN O=[N+]([O-])c1ccccc1C=CCN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000552522828 505508052 /nfs/dbraw/zinc/50/80/52/505508052.db2.gz HYTAUMPDVXCXHL-GIZXNFQBSA-N 0 3 353.426 3.483 20 5 FGBDHN O=[N+]([O-])c1ccccc1C=CCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000552522828 505508058 /nfs/dbraw/zinc/50/80/58/505508058.db2.gz HYTAUMPDVXCXHL-GIZXNFQBSA-N 0 3 353.426 3.483 20 5 FGBDHN Cc1ccc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000588928008 506384350 /nfs/dbraw/zinc/38/43/50/506384350.db2.gz RTYRHBXBFQTOSU-CQSZACIVSA-N 0 3 373.375 3.326 20 5 FGBDHN COc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000593126475 506409024 /nfs/dbraw/zinc/40/90/24/506409024.db2.gz VVLQRUKXHMDIIG-GHMZBOCLSA-N 0 3 362.304 3.290 20 5 FGBDHN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000593133337 506413494 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FGBDHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000583240158 506668362 /nfs/dbraw/zinc/66/83/62/506668362.db2.gz UJEDAVPVDYWZQF-INIZCTEOSA-N 0 3 367.449 3.479 20 5 FGBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000599834952 506668445 /nfs/dbraw/zinc/66/84/45/506668445.db2.gz QDKZFYFJMOGLRC-AEFFLSMTSA-N 0 3 369.425 3.281 20 5 FGBDHN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877291 506670255 /nfs/dbraw/zinc/67/02/55/506670255.db2.gz AXMMVZKHPIEOCF-LLVKDONJSA-N 0 3 369.263 3.063 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000590119773 506741947 /nfs/dbraw/zinc/74/19/47/506741947.db2.gz WOCIZCSMQDHAHI-UHFFFAOYSA-N 0 3 370.449 3.390 20 5 FGBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593752522 506760602 /nfs/dbraw/zinc/76/06/02/506760602.db2.gz NKFMHZUVKOCONJ-QWRGUYRKSA-N 0 3 361.320 3.323 20 5 FGBDHN CNc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604312327 506783481 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20 5 FGBDHN CO[C@](C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000590658367 506897802 /nfs/dbraw/zinc/89/78/02/506897802.db2.gz OIHDSKNHGBFAFP-LJQANCHMSA-N 0 3 358.394 3.017 20 5 FGBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NC1CCCC1 ZINC000609544437 506915560 /nfs/dbraw/zinc/91/55/60/506915560.db2.gz AVLFEWPWGNVKPV-UHFFFAOYSA-N 0 3 359.451 3.472 20 5 FGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470954 506961988 /nfs/dbraw/zinc/96/19/88/506961988.db2.gz QEWIIADBJHMNAE-LPHOPBHVSA-N 0 3 359.470 3.297 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600467585 506962149 /nfs/dbraw/zinc/96/21/49/506962149.db2.gz ALPGRWAVHBPCLA-ZDUSSCGKSA-N 0 3 371.359 3.360 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600469878 506962721 /nfs/dbraw/zinc/96/27/21/506962721.db2.gz LZOCYYJPGZEPMZ-CYBMUJFWSA-N 0 3 371.359 3.360 20 5 FGBDHN C[C@H](CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO)c1ccccc1 ZINC000583830613 506997980 /nfs/dbraw/zinc/99/79/80/506997980.db2.gz JXGMCMWVECEZHJ-CABCVRRESA-N 0 3 368.437 3.458 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNC1CC(OCc3ccccc3)C1)OCCO2 ZINC000613283335 507010002 /nfs/dbraw/zinc/01/00/02/507010002.db2.gz LAMUETJBLXDQBR-UHFFFAOYSA-N 0 3 370.405 3.203 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609876687 507035073 /nfs/dbraw/zinc/03/50/73/507035073.db2.gz DVLYXRRHXQDSNU-GXTWGEPZSA-N 0 3 369.849 3.006 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916223 507048948 /nfs/dbraw/zinc/04/89/48/507048948.db2.gz FMZZIYIZHKEKBI-OGWOLHLISA-N 0 3 374.412 3.352 20 5 FGBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597858110 507136741 /nfs/dbraw/zinc/13/67/41/507136741.db2.gz JQSCEZKZICMMJR-AAEUAGOBSA-N 0 3 369.849 3.005 20 5 FGBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000597924390 507177294 /nfs/dbraw/zinc/17/72/94/507177294.db2.gz QMYLUIMNKFCKOV-LLVKDONJSA-N 0 3 359.348 3.216 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000610316901 507190098 /nfs/dbraw/zinc/19/00/98/507190098.db2.gz DTHZGHFOUDOTLR-SFHVURJKSA-N 0 3 354.410 3.333 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cc(Cl)cc(Cl)c1 ZINC000594718850 507251234 /nfs/dbraw/zinc/25/12/34/507251234.db2.gz WFBYVFZVAQUDPY-CQSZACIVSA-N 0 3 371.220 3.431 20 5 FGBDHN O=[N+]([O-])c1ccccc1CNCCC1(O)CCN(c2ccccc2)CC1 ZINC000601149231 507278043 /nfs/dbraw/zinc/27/80/43/507278043.db2.gz HVIDPYYJQXNXLU-UHFFFAOYSA-N 0 3 355.438 3.106 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000610582768 507303770 /nfs/dbraw/zinc/30/37/70/507303770.db2.gz YMTQGCXFGQOXGW-IBGZPJMESA-N 0 3 352.394 3.201 20 5 FGBDHN Cc1c(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000598194025 507306288 /nfs/dbraw/zinc/30/62/88/507306288.db2.gz DJURAOBMNBPWFR-GOSISDBHSA-N 0 3 367.449 3.292 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CC(=O)NC)CCCCC1 ZINC000594994642 507344700 /nfs/dbraw/zinc/34/47/00/507344700.db2.gz DHFFUYUYWWKJRW-UHFFFAOYSA-N 0 3 363.458 3.170 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598264932 507349467 /nfs/dbraw/zinc/34/94/67/507349467.db2.gz RRTYFAVLSGSDJA-LBPRGKRZSA-N 0 3 373.375 3.464 20 5 FGBDHN COc1ccc([C@@H](CO)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595054124 507369237 /nfs/dbraw/zinc/36/92/37/507369237.db2.gz XQOBZNAJKRIREX-DZGCQCFKSA-N 0 3 360.410 3.039 20 5 FGBDHN CCOc1ccc([C@@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595104377 507392963 /nfs/dbraw/zinc/39/29/63/507392963.db2.gz PQQRRPGHBUEWNR-AUUYWEPGSA-N 0 3 366.458 3.212 20 5 FGBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1F ZINC000611198262 507558329 /nfs/dbraw/zinc/55/83/29/507558329.db2.gz STEJQJUZTTZELV-KRWDZBQOSA-N 0 3 357.385 3.062 20 5 FGBDHN O=C(CCN1CCC(c2cccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611258878 507586484 /nfs/dbraw/zinc/58/64/84/507586484.db2.gz XTBHRCQKJOPDJP-UHFFFAOYSA-N 0 3 354.410 3.198 20 5 FGBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@]1(O)CCOC1 ZINC000592398119 507638825 /nfs/dbraw/zinc/63/88/25/507638825.db2.gz OTMLCRULDHZLPA-FPOVZHCZSA-N 0 3 370.449 3.451 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000611402513 507664269 /nfs/dbraw/zinc/66/42/69/507664269.db2.gz SEIJUESEMNECDZ-AWEZNQCLSA-N 0 3 363.483 3.309 20 5 FGBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404311 507664807 /nfs/dbraw/zinc/66/48/07/507664807.db2.gz GJTXKVPSVVEKBJ-QFBILLFUSA-N 0 3 357.454 3.047 20 5 FGBDHN Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(CN(C)C)c1 ZINC000602496878 507729020 /nfs/dbraw/zinc/72/90/20/507729020.db2.gz WOWGKNHTEWRWCO-UHFFFAOYSA-N 0 3 369.469 3.441 20 5 FGBDHN O=C(C[C@H]1NCc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956928 507751401 /nfs/dbraw/zinc/75/14/01/507751401.db2.gz LZYVBGPTOGJQMZ-LJQANCHMSA-N 0 3 351.406 3.320 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820254708 607089312 /nfs/dbraw/zinc/08/93/12/607089312.db2.gz VJGSTQWSSOOMAJ-KBPBESRZSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820254708 607089314 /nfs/dbraw/zinc/08/93/14/607089314.db2.gz VJGSTQWSSOOMAJ-KBPBESRZSA-N 0 3 366.425 3.447 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1 ZINC000110355757 700540683 /nfs/dbraw/zinc/54/06/83/700540683.db2.gz GZZGXOHCLBEOID-ZDUSSCGKSA-N 0 3 361.829 3.499 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000121193840 700667620 /nfs/dbraw/zinc/66/76/20/700667620.db2.gz FWZYMNFPOBDMAN-UHFFFAOYSA-N 0 3 351.790 3.045 20 5 FGBDHN C[C@H](C[C@H](O)c1ccco1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000130355520 700800352 /nfs/dbraw/zinc/80/03/52/700800352.db2.gz NZJLGMHIGQUMKC-MFKMUULPSA-N 0 3 356.325 3.391 20 5 FGBDHN CC[S@](=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000735085045 722512522 /nfs/dbraw/zinc/51/25/22/722512522.db2.gz ZUXBQWBYJKEXHS-VWLOTQADSA-N 0 3 366.414 3.384 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1ccccc1 ZINC000749875189 722745700 /nfs/dbraw/zinc/74/57/00/722745700.db2.gz SVOKAKSKEHBUIP-AWEZNQCLSA-N 0 3 361.829 3.151 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)nc1 ZINC000810225730 725297967 /nfs/dbraw/zinc/29/79/67/725297967.db2.gz LCLYGZQWTNYFLF-LLVKDONJSA-N 0 3 366.215 3.482 20 5 FGBDHN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813104305 726839432 /nfs/dbraw/zinc/83/94/32/726839432.db2.gz MDSVFHLRICXKDM-SECBINFHSA-N 0 3 363.370 3.357 20 5 FGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2cc(Br)ccc2n1 ZINC000813106652 726839536 /nfs/dbraw/zinc/83/95/36/726839536.db2.gz GAWGTCLBCDDFNT-SECBINFHSA-N 0 3 353.172 3.128 20 5 FGBDHN CC(COC(=O)CCCC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109543 726840024 /nfs/dbraw/zinc/84/00/24/726840024.db2.gz LDKVUFGLTVTHDQ-SNVBAGLBSA-N 0 3 358.188 3.011 20 5 FGBDHN CC(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813110984 726840512 /nfs/dbraw/zinc/84/05/12/726840512.db2.gz NPHXGCIXHSSTEP-NSHDSACASA-N 0 3 362.769 3.414 20 5 FGBDHN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000813437072 726876205 /nfs/dbraw/zinc/87/62/05/726876205.db2.gz RMOGRVYFKDYBPV-NSHDSACASA-N 0 3 358.225 3.212 20 5 FGBDHN Cc1cc([C@H](N)CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)n1 ZINC000827351253 729429203 /nfs/dbraw/zinc/42/92/03/729429203.db2.gz CJLFLNXSBUGWBQ-XHDPSFHLSA-N 0 3 362.817 3.219 20 5 FGBDHN CC([C@H](OC(=O)CSc1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873884 730904902 /nfs/dbraw/zinc/90/49/02/730904902.db2.gz XKPCBXZGPGWGQM-BZNIZROVSA-N 0 3 350.371 3.263 20 5 FGBDHN CC([C@@H](OC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875878 730905050 /nfs/dbraw/zinc/90/50/50/730905050.db2.gz DVKQCQHZAGAEBO-JTNHKYCSSA-N 0 3 355.362 3.053 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[S@@](=O)CC(F)(F)F)CCCC2 ZINC000850493789 731363413 /nfs/dbraw/zinc/36/34/13/731363413.db2.gz KNMVZCXIFGCDIH-LFPIHBKWSA-N 0 3 364.389 3.263 20 5 FGBDHN COC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000852321201 731569887 /nfs/dbraw/zinc/56/98/87/731569887.db2.gz JZDVBOVRNUUSPC-CQSZACIVSA-N 0 3 363.241 3.433 20 5 FGBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN(C2CCC2)C1 ZINC000854603257 731844802 /nfs/dbraw/zinc/84/48/02/731844802.db2.gz RKECLSHNGAPIKJ-GFCCVEGCSA-N 0 3 351.834 3.195 20 5 FGBDHN CN(C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1cccc(F)c1 ZINC000865407838 733193241 /nfs/dbraw/zinc/19/32/41/733193241.db2.gz NUFJWNLDMLKNBF-QGZVFWFLSA-N 0 3 351.353 3.080 20 5 FGBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000886916552 739315409 /nfs/dbraw/zinc/31/54/09/739315409.db2.gz WSRPGXUIDYNGGG-XHDPSFHLSA-N 0 3 362.348 3.145 20 5 FGBDHN COCCOc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000893401563 742149780 /nfs/dbraw/zinc/14/97/80/742149780.db2.gz JYKRTFHYBBZDEV-UHFFFAOYSA-N 0 3 354.790 3.199 20 5 FGBDHN COc1cc(CNC2CC3(C2)COC(C)(C)C3)c([N+](=O)[O-])cc1OC ZINC000897973694 742729590 /nfs/dbraw/zinc/72/95/90/742729590.db2.gz WXUNPHYBYAAQGA-UHFFFAOYSA-N 0 3 350.415 3.049 20 5 FGBDHN O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000900623220 743138432 /nfs/dbraw/zinc/13/84/32/743138432.db2.gz GUCXDQKXSYKZDE-LBPRGKRZSA-N 0 3 355.797 3.088 20 5 FGBDHN CC[N@@H+]1CCC[C@H]1C[N-]c1nnc(CSc2ccccc2[N+](=O)[O-])o1 ZINC000901406836 743272107 /nfs/dbraw/zinc/27/21/07/743272107.db2.gz GPARAGOJNWJKJS-LBPRGKRZSA-N 0 3 363.443 3.166 20 5 FGBDHN CC[N@H+]1CCC[C@H]1C[N-]c1nnc(CSc2ccccc2[N+](=O)[O-])o1 ZINC000901406836 743272112 /nfs/dbraw/zinc/27/21/12/743272112.db2.gz GPARAGOJNWJKJS-LBPRGKRZSA-N 0 3 363.443 3.166 20 5 FGBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000057615750 221091423 /nfs/dbraw/zinc/09/14/23/221091423.db2.gz OCAPQEFEKVLYKJ-IBGZPJMESA-N 0 3 353.422 3.091 20 5 FGBDHN CN(C)CCOc1cccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000577027878 505647841 /nfs/dbraw/zinc/64/78/41/505647841.db2.gz CSQNZUHUWHEIKP-MSOLQXFVSA-N 0 3 373.457 3.328 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000080902491 493788347 /nfs/dbraw/zinc/78/83/47/493788347.db2.gz GKGWCFDDQMMREN-BFUOFWGJSA-N 0 3 363.458 3.009 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057719890 493790218 /nfs/dbraw/zinc/79/02/18/493790218.db2.gz OXCVRPPSLMNATG-HUUCEWRRSA-N 0 3 374.485 3.044 20 5 FGBDHN Cc1cc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081122646 493836438 /nfs/dbraw/zinc/83/64/38/493836438.db2.gz OGTMJDHKNXSVKT-SFHVURJKSA-N 0 3 353.422 3.250 20 5 FGBDHN O=C(Nc1ccccc1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000051918091 493993018 /nfs/dbraw/zinc/99/30/18/493993018.db2.gz DMOUSJNHQOJARY-UHFFFAOYSA-N 0 3 369.421 3.324 20 5 FGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000052561171 494040669 /nfs/dbraw/zinc/04/06/69/494040669.db2.gz SOLRVDUQESLSQR-UHFFFAOYSA-N 0 3 353.422 3.162 20 5 FGBDHN COc1ccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000574117081 505696760 /nfs/dbraw/zinc/69/67/60/505696760.db2.gz JCVMDXJPSSGDLS-CQSZACIVSA-N 0 3 372.425 3.245 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000070892754 494066312 /nfs/dbraw/zinc/06/63/12/494066312.db2.gz PBQSOBOVWOYMKS-GOEBONIOSA-N 0 3 357.410 3.485 20 5 FGBDHN CCCCN(CCCC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052870599 494071440 /nfs/dbraw/zinc/07/14/40/494071440.db2.gz VEHVBRGFESWTDX-UHFFFAOYSA-N 0 3 351.403 3.164 20 5 FGBDHN Cc1cccc(NC(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053166277 494100165 /nfs/dbraw/zinc/10/01/65/494100165.db2.gz YRDIKELKNDZVKD-UHFFFAOYSA-N 0 3 368.437 3.191 20 5 FGBDHN COC(=O)[C@@H](C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089142320 494269602 /nfs/dbraw/zinc/26/96/02/494269602.db2.gz PVGUHZKPBBXGCE-KSSFIOAISA-N 0 3 358.394 3.114 20 5 FGBDHN Cc1c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000043347970 494289810 /nfs/dbraw/zinc/28/98/10/494289810.db2.gz AAJNSQYDTMBYDB-INIZCTEOSA-N 0 3 354.410 3.299 20 5 FGBDHN CCOc1cc(N2CCN(CC3(SC)CC3)CC2)ccc1[N+](=O)[O-] ZINC000580244573 505712032 /nfs/dbraw/zinc/71/20/32/505712032.db2.gz LRORYUMLWKVPGP-UHFFFAOYSA-N 0 3 351.472 3.011 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000090463866 494470196 /nfs/dbraw/zinc/47/01/96/494470196.db2.gz LVSRCEZAOJMBOP-CRAIPNDOSA-N 0 3 359.470 3.439 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000079556645 494480188 /nfs/dbraw/zinc/48/01/88/494480188.db2.gz CNOLDLPMMXXUPE-YJBOKZPZSA-N 0 3 353.422 3.378 20 5 FGBDHN COc1ccc(C[C@H](C)CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000090618627 494488660 /nfs/dbraw/zinc/48/86/60/494488660.db2.gz OPJTXPKHVKMJQT-AWEZNQCLSA-N 0 3 371.437 3.013 20 5 FGBDHN Cc1c([C@H](C)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000090913871 494503135 /nfs/dbraw/zinc/50/31/35/494503135.db2.gz DBWHFGDYYZTQMG-UHOSZYNNSA-N 0 3 369.465 3.189 20 5 FGBDHN Cc1c(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000056546313 494523966 /nfs/dbraw/zinc/52/39/66/494523966.db2.gz WRJVOYBXCDGZBH-INIZCTEOSA-N 0 3 356.426 3.198 20 5 FGBDHN CN(C)Cc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080058946 494580191 /nfs/dbraw/zinc/58/01/91/494580191.db2.gz CENLCJIDZHRJBX-UHFFFAOYSA-N 0 3 370.453 3.391 20 5 FGBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1 ZINC000126234714 494680822 /nfs/dbraw/zinc/68/08/22/494680822.db2.gz GFXJGGQRSUHQAV-KRWDZBQOSA-N 0 3 357.385 3.283 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H](N4CCCCC4)C3)n2)cc1 ZINC000108376985 494692392 /nfs/dbraw/zinc/69/23/92/494692392.db2.gz PVHMRPKAZQXHEG-QGZVFWFLSA-N 0 3 371.441 3.095 20 5 FGBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080501692 494721299 /nfs/dbraw/zinc/72/12/99/494721299.db2.gz UZIKQMXIILDKPB-LJQANCHMSA-N 0 3 367.449 3.260 20 5 FGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000068133979 494774855 /nfs/dbraw/zinc/77/48/55/494774855.db2.gz XJNMYVMCLXLIJL-IBGZPJMESA-N 0 3 374.485 3.264 20 5 FGBDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000026225060 494810526 /nfs/dbraw/zinc/81/05/26/494810526.db2.gz SIPIHKBYWYBGJK-UHFFFAOYSA-N 0 3 373.409 3.073 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000026713158 494835023 /nfs/dbraw/zinc/83/50/23/494835023.db2.gz OWBLLQDTXITDHP-BLLLJJGKSA-N 0 3 350.802 3.339 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccnc1)C(C)C ZINC000093225439 494846836 /nfs/dbraw/zinc/84/68/36/494846836.db2.gz KNVSZDMYTAJACR-UHFFFAOYSA-N 0 3 372.425 3.238 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000027749761 494883884 /nfs/dbraw/zinc/88/38/84/494883884.db2.gz WRTJLGACIQJOCN-UONOGXRCSA-N 0 3 351.472 3.066 20 5 FGBDHN COc1ccc(CN(C)CC[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093481913 494895859 /nfs/dbraw/zinc/89/58/59/494895859.db2.gz CBVBBQZAMKAGEP-HNNXBMFYSA-N 0 3 374.437 3.385 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)o1 ZINC000093664526 494909849 /nfs/dbraw/zinc/90/98/49/494909849.db2.gz UMNLYOZUPGBIIO-INIZCTEOSA-N 0 3 371.437 3.009 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H](CO)CCSC)o2)c([N+](=O)[O-])c1 ZINC000133257935 494991427 /nfs/dbraw/zinc/99/14/27/494991427.db2.gz QXHUNZMZPROLTA-LBPRGKRZSA-N 0 3 366.439 3.067 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(F)c4cccnc34)C2)nc1 ZINC000118865962 495050145 /nfs/dbraw/zinc/05/01/45/495050145.db2.gz IRRHEPXGPYXZDU-CQSZACIVSA-N 0 3 367.384 3.364 20 5 FGBDHN CN(C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000133751331 495056796 /nfs/dbraw/zinc/05/67/96/495056796.db2.gz XEIQWHJMKDIGKX-RBUKOAKNSA-N 0 3 353.422 3.484 20 5 FGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000123183772 495093037 /nfs/dbraw/zinc/09/30/37/495093037.db2.gz QQTMFEXQZCXBQU-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CC(C)c1ccc(CN2CCC(CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000134105380 495106902 /nfs/dbraw/zinc/10/69/02/495106902.db2.gz ZGJDPNCWNMMQTO-UHFFFAOYSA-N 0 3 361.486 3.262 20 5 FGBDHN CN(C)Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000101949830 495110390 /nfs/dbraw/zinc/11/03/90/495110390.db2.gz DSNYZFMOVBCQRB-UHFFFAOYSA-N 0 3 365.393 3.299 20 5 FGBDHN C[C@@H]1CN(CCCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000129019691 495183259 /nfs/dbraw/zinc/18/32/59/495183259.db2.gz KBQMEVZFNXMBHB-HUUCEWRRSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119815062 495247176 /nfs/dbraw/zinc/24/71/76/495247176.db2.gz QLMHFGPDPKJFHT-HNAYVOBHSA-N 0 3 367.449 3.082 20 5 FGBDHN CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000113093969 495275087 /nfs/dbraw/zinc/27/50/87/495275087.db2.gz PBAVKMSVABZYFO-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN Cc1nn(C)c(C)c1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113318228 495295335 /nfs/dbraw/zinc/29/53/35/495295335.db2.gz YXRAYFALZODNQU-UHFFFAOYSA-N 0 3 371.466 3.401 20 5 FGBDHN Cc1nccn1C[C@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000105442578 495364530 /nfs/dbraw/zinc/36/45/30/495364530.db2.gz XKMRUQWMTWNXRN-LLVKDONJSA-N 0 3 354.357 3.127 20 5 FGBDHN COc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000114468349 495379650 /nfs/dbraw/zinc/37/96/50/495379650.db2.gz HTUTUFHIDKWDLG-GOSISDBHSA-N 0 3 356.422 3.475 20 5 FGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120471911 495386998 /nfs/dbraw/zinc/38/69/98/495386998.db2.gz DGIOINRCYMCOOZ-WBMJQRKESA-N 0 3 374.466 3.131 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000120516831 495396282 /nfs/dbraw/zinc/39/62/82/495396282.db2.gz WEZUBKNYOPQNAG-RTBURBONSA-N 0 3 374.462 3.294 20 5 FGBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCCC1 ZINC000120536091 495400557 /nfs/dbraw/zinc/40/05/57/495400557.db2.gz URVVTGYBXOZDJP-UHFFFAOYSA-N 0 3 356.426 3.137 20 5 FGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000130994086 495477614 /nfs/dbraw/zinc/47/76/14/495477614.db2.gz FYJFSLXHCISYFY-CQSZACIVSA-N 0 3 353.220 3.295 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000107523308 495528422 /nfs/dbraw/zinc/52/84/22/495528422.db2.gz IVKXIEXEWCOWOS-CQSZACIVSA-N 0 3 363.483 3.407 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518074 495625394 /nfs/dbraw/zinc/62/53/94/495625394.db2.gz VRGWLJWGTHFZFU-OAHLLOKOSA-N 0 3 371.441 3.239 20 5 FGBDHN Cc1cccc(C(C)(C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000179583576 495649796 /nfs/dbraw/zinc/64/97/96/495649796.db2.gz WACLRXCGUZLYKN-UHFFFAOYSA-N 0 3 371.393 3.095 20 5 FGBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000179627877 495667422 /nfs/dbraw/zinc/66/74/22/495667422.db2.gz IMAZJZAWDKDYFJ-RDTXWAMCSA-N 0 3 366.364 3.354 20 5 FGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(OCc2ccccn2)c1 ZINC000179685622 495690841 /nfs/dbraw/zinc/69/08/41/495690841.db2.gz ORRGYOFZKUVXTA-OAHLLOKOSA-N 0 3 367.409 3.116 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000182914809 495755462 /nfs/dbraw/zinc/75/54/62/495755462.db2.gz VONSAYCAMONZSW-KDOFPFPSSA-N 0 3 358.442 3.143 20 5 FGBDHN O=C(CCN1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155011028 495802820 /nfs/dbraw/zinc/80/28/20/495802820.db2.gz OLANTHHTEQFRPG-QGZVFWFLSA-N 0 3 368.437 3.500 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151341992 495810046 /nfs/dbraw/zinc/81/00/46/495810046.db2.gz KTRMQZCFPUQFFF-YOEHRIQHSA-N 0 3 352.456 3.138 20 5 FGBDHN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000151390484 495825235 /nfs/dbraw/zinc/82/52/35/495825235.db2.gz PWVPZBLNDYXLSH-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000183154504 495857921 /nfs/dbraw/zinc/85/79/21/495857921.db2.gz PAEVLXVLYMSLMW-IFXJQAMLSA-N 0 3 352.394 3.165 20 5 FGBDHN Cc1c(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180198473 495902512 /nfs/dbraw/zinc/90/25/12/495902512.db2.gz XOIPCZFMJDQNAP-YLJYHZDGSA-N 0 3 353.422 3.007 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOCC4(CCOCC4)C3)o2)cc1 ZINC000183272631 495910854 /nfs/dbraw/zinc/91/08/54/495910854.db2.gz BCTXCIQCYJDFPW-UHFFFAOYSA-N 0 3 372.421 3.484 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000183348812 495941278 /nfs/dbraw/zinc/94/12/78/495941278.db2.gz MUEUDSPPHIVPCR-KBPBESRZSA-N 0 3 357.410 3.324 20 5 FGBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186314194 495943194 /nfs/dbraw/zinc/94/31/94/495943194.db2.gz NIWRHOIDAVNGHE-LBPRGKRZSA-N 0 3 371.384 3.191 20 5 FGBDHN COc1cc(CN2CCCN3c4ccccc4C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577904436 505815733 /nfs/dbraw/zinc/81/57/33/505815733.db2.gz GEWSBVZPWOIVNZ-KRWDZBQOSA-N 0 3 353.422 3.240 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000151940880 495998277 /nfs/dbraw/zinc/99/82/77/495998277.db2.gz BYNKTGKDFDTYQK-OAHLLOKOSA-N 0 3 362.474 3.480 20 5 FGBDHN CC1(C)CN(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000171766601 496027844 /nfs/dbraw/zinc/02/78/44/496027844.db2.gz MBUYPSZQLUYQIZ-UHFFFAOYSA-N 0 3 359.426 3.055 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160885560 496061104 /nfs/dbraw/zinc/06/11/04/496061104.db2.gz WKUCQLAFZXCQRP-ZBFHGGJFSA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1nccn1-c1ccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000183676115 496074035 /nfs/dbraw/zinc/07/40/35/496074035.db2.gz QAMMMBBRPWXAHO-XOBRGWDASA-N 0 3 366.421 3.473 20 5 FGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1nnc2n1CCCC2 ZINC000183863432 496140962 /nfs/dbraw/zinc/14/09/62/496140962.db2.gz OIIWIDVPWGJPBB-GDBMZVCRSA-N 0 3 355.442 3.024 20 5 FGBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000175026890 496214775 /nfs/dbraw/zinc/21/47/75/496214775.db2.gz IHKMNSZCFBBSSB-UHFFFAOYSA-N 0 3 371.412 3.471 20 5 FGBDHN Cn1cc(CNC[C@](C)(O)c2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153029954 496330944 /nfs/dbraw/zinc/33/09/44/496330944.db2.gz WNDSUDXQUDMFOP-SFHVURJKSA-N 0 3 372.450 3.054 20 5 FGBDHN CN(C)Cc1cccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175391344 496369799 /nfs/dbraw/zinc/36/97/99/496369799.db2.gz NWTUGVNNSZKCIA-UHFFFAOYSA-N 0 3 370.453 3.391 20 5 FGBDHN O=C(CCN1CCC[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157018392 496387725 /nfs/dbraw/zinc/38/77/25/496387725.db2.gz DBDDYPDUWGIXJD-ZDUSSCGKSA-N 0 3 360.439 3.260 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccco1)C1CCCC1 ZINC000181561633 496446849 /nfs/dbraw/zinc/44/68/49/496446849.db2.gz ONEGDDLKYAXCAX-INIZCTEOSA-N 0 3 360.410 3.372 20 5 FGBDHN CCC1(CC)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1OC ZINC000178457564 496463923 /nfs/dbraw/zinc/46/39/23/496463923.db2.gz DUXQPGZGJXDTLL-HZPDHXFCSA-N 0 3 350.415 3.145 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000163376896 496506456 /nfs/dbraw/zinc/50/64/56/496506456.db2.gz WFDXVANVMMLSQS-LJQANCHMSA-N 0 3 355.438 3.173 20 5 FGBDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181722115 496518181 /nfs/dbraw/zinc/51/81/81/496518181.db2.gz YFBUXZPDGXAEKH-RDJZCZTQSA-N 0 3 372.421 3.180 20 5 FGBDHN Cc1c([C@H](C)NCc2cccc(OCC(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000163802775 496559633 /nfs/dbraw/zinc/55/96/33/496559633.db2.gz LDRSUIZBJWCJOJ-HNNXBMFYSA-N 0 3 371.437 3.221 20 5 FGBDHN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173331539 496646104 /nfs/dbraw/zinc/64/61/04/496646104.db2.gz VNMMSTDODZYDFG-MRXNPFEDSA-N 0 3 355.438 3.278 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000173341075 496650221 /nfs/dbraw/zinc/65/02/21/496650221.db2.gz AKWZPZGWXKMELW-MRXNPFEDSA-N 0 3 373.478 3.227 20 5 FGBDHN CN(C)C1(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000188065588 496669056 /nfs/dbraw/zinc/66/90/56/496669056.db2.gz WFLLXJJTAIAHDZ-UHFFFAOYSA-N 0 3 374.466 3.275 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000179181089 496702972 /nfs/dbraw/zinc/70/29/72/496702972.db2.gz OZNZRDPKZMWGPD-DNVCBOLYSA-N 0 3 359.470 3.442 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccccc2)CC1 ZINC000182202781 496705764 /nfs/dbraw/zinc/70/57/64/496705764.db2.gz KORDYNXUWZLFQM-SFHVURJKSA-N 0 3 356.422 3.214 20 5 FGBDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000182253341 496720526 /nfs/dbraw/zinc/72/05/26/496720526.db2.gz MIWTYBWBEGJMSL-UGSOOPFHSA-N 0 3 359.401 3.257 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000185322117 496728982 /nfs/dbraw/zinc/72/89/82/496728982.db2.gz VUYYYVUESSBMMI-INIZCTEOSA-N 0 3 359.451 3.297 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182356899 496731268 /nfs/dbraw/zinc/73/12/68/496731268.db2.gz CFELLPCRLQCFDQ-HNNXBMFYSA-N 0 3 373.428 3.428 20 5 FGBDHN CCC[C@]1(COC)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000194925336 496762457 /nfs/dbraw/zinc/76/24/57/496762457.db2.gz MYPCPBALHVXKHP-GOSISDBHSA-N 0 3 360.414 3.426 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000247426536 496857453 /nfs/dbraw/zinc/85/74/53/496857453.db2.gz KTLNFUVLGFMLMZ-CVEARBPZSA-N 0 3 374.485 3.389 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191947685 496939973 /nfs/dbraw/zinc/93/99/73/496939973.db2.gz XZHPRUCKQFNOGW-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269558978 496970325 /nfs/dbraw/zinc/97/03/25/496970325.db2.gz PTQNRLGSZKJYQC-LLVKDONJSA-N 0 3 359.348 3.027 20 5 FGBDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373090 496986383 /nfs/dbraw/zinc/98/63/83/496986383.db2.gz GDIJJMZISUQULM-MSOLQXFVSA-N 0 3 356.422 3.480 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000248453837 497017726 /nfs/dbraw/zinc/01/77/26/497017726.db2.gz KCRQLZBAXAKWBH-IEBWSBKVSA-N 0 3 368.433 3.486 20 5 FGBDHN CC(=O)NC1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000264990912 497026902 /nfs/dbraw/zinc/02/69/02/497026902.db2.gz XEAOEADGWLMULF-UHFFFAOYSA-N 0 3 374.466 3.255 20 5 FGBDHN COC1CCC(N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000265212096 497072733 /nfs/dbraw/zinc/07/27/33/497072733.db2.gz MOGFJNAWPQHLBI-UHFFFAOYSA-N 0 3 355.822 3.076 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248776454 497102939 /nfs/dbraw/zinc/10/29/39/497102939.db2.gz HPNNPBBCLXFYRR-DNVCBOLYSA-N 0 3 353.422 3.154 20 5 FGBDHN CCN1CCC[C@H]1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236842428 497155489 /nfs/dbraw/zinc/15/54/89/497155489.db2.gz JYMUQGSEYNHITL-AWEZNQCLSA-N 0 3 359.426 3.437 20 5 FGBDHN COc1ccc(C[C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000278593278 497160536 /nfs/dbraw/zinc/16/05/36/497160536.db2.gz FDNCYHVUFACSIG-LBPRGKRZSA-N 0 3 370.409 3.209 20 5 FGBDHN Cc1ccc([C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000237882135 497306983 /nfs/dbraw/zinc/30/69/83/497306983.db2.gz LHANFOSMNBZUDJ-FHHGHWCOSA-N 0 3 371.437 3.173 20 5 FGBDHN O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237880551 497307034 /nfs/dbraw/zinc/30/70/34/497307034.db2.gz MHPILNOKPJOOCZ-UHFFFAOYSA-N 0 3 373.384 3.142 20 5 FGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000275422590 497320796 /nfs/dbraw/zinc/32/07/96/497320796.db2.gz AITHUXFICLSBEF-LBPRGKRZSA-N 0 3 361.373 3.422 20 5 FGBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193200933 497322837 /nfs/dbraw/zinc/32/28/37/497322837.db2.gz FRYGUIZLSBAPBQ-GOSISDBHSA-N 0 3 368.437 3.059 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccccc1OC ZINC000271722046 497429336 /nfs/dbraw/zinc/42/93/36/497429336.db2.gz RNTKUHMWDTXRHC-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000271753644 497439604 /nfs/dbraw/zinc/43/96/04/497439604.db2.gz TZPKGUNCRFVJND-AWEZNQCLSA-N 0 3 360.414 3.022 20 5 FGBDHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000271767970 497443244 /nfs/dbraw/zinc/44/32/44/497443244.db2.gz HYBQGBCHWIELSI-KSSFIOAISA-N 0 3 372.421 3.196 20 5 FGBDHN CC(=O)N1CCC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000279650519 497498862 /nfs/dbraw/zinc/49/88/62/497498862.db2.gz DZPLDTVQBGOQDG-AWEZNQCLSA-N 0 3 374.466 3.066 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381301 497538734 /nfs/dbraw/zinc/53/87/34/497538734.db2.gz GYBVAPRDPMIZEZ-UZLBHIALSA-N 0 3 367.449 3.164 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245928535 497574839 /nfs/dbraw/zinc/57/48/39/497574839.db2.gz YAFDUYGVBUPDTR-STQMWFEESA-N 0 3 351.472 3.262 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245928529 497574985 /nfs/dbraw/zinc/57/49/85/497574985.db2.gz YAFDUYGVBUPDTR-QWHCGFSZSA-N 0 3 351.472 3.262 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000194268779 497619634 /nfs/dbraw/zinc/61/96/34/497619634.db2.gz DJKRXNIOVPTFGB-CYBMUJFWSA-N 0 3 374.372 3.258 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000194775670 497767282 /nfs/dbraw/zinc/76/72/82/497767282.db2.gz RBFPILFEGKVFCK-GOSISDBHSA-N 0 3 367.449 3.497 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000194797615 497775784 /nfs/dbraw/zinc/77/57/84/497775784.db2.gz ULPKBYGTTAKIJY-UHFFFAOYSA-N 0 3 367.449 3.340 20 5 FGBDHN Cc1noc(C[C@@H](NCCOc2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000277208202 497776410 /nfs/dbraw/zinc/77/64/10/497776410.db2.gz NBBWMALGEWZCSY-MRXNPFEDSA-N 0 3 368.393 3.239 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000273041817 497789015 /nfs/dbraw/zinc/78/90/15/497789015.db2.gz WGBUDYJSCUSYQR-HNNXBMFYSA-N 0 3 360.458 3.165 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000578396828 505929878 /nfs/dbraw/zinc/92/98/78/505929878.db2.gz BWFBVWZPFVFXKO-FQEVSTJZSA-N 0 3 358.413 3.204 20 5 FGBDHN CN(C)CCOc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1Cl ZINC000295875961 497839236 /nfs/dbraw/zinc/83/92/36/497839236.db2.gz PHABKWATTAPSOI-UHFFFAOYSA-N 0 3 357.838 3.054 20 5 FGBDHN Cc1nc2sccn2c(=O)c1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292114927 497883612 /nfs/dbraw/zinc/88/36/12/497883612.db2.gz JNVQINGVQMZWFG-UHFFFAOYSA-N 0 3 372.450 3.040 20 5 FGBDHN CC[C@H](C)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000296093910 497918765 /nfs/dbraw/zinc/91/87/65/497918765.db2.gz PTUSCKQQGKDNGU-HNNXBMFYSA-N 0 3 358.442 3.208 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CCC1 ZINC000280859270 497925964 /nfs/dbraw/zinc/92/59/64/497925964.db2.gz CAZNRDNISHMOSW-CYBMUJFWSA-N 0 3 372.512 3.022 20 5 FGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000578479219 505949102 /nfs/dbraw/zinc/94/91/02/505949102.db2.gz OVGOXKVVZAMHFS-AWEZNQCLSA-N 0 3 357.410 3.026 20 5 FGBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000296260298 497974912 /nfs/dbraw/zinc/97/49/12/497974912.db2.gz LPDPFABYQRSJCI-NSHDSACASA-N 0 3 352.822 3.196 20 5 FGBDHN O=C(CCN1CC[C@@H](O)c2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364627549 498056813 /nfs/dbraw/zinc/05/68/13/498056813.db2.gz DCHXLDCTMUPESD-GOSISDBHSA-N 0 3 373.384 3.002 20 5 FGBDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285404626 498075026 /nfs/dbraw/zinc/07/50/26/498075026.db2.gz BCCACCAIAUQVOO-BBRMVZONSA-N 0 3 360.414 3.160 20 5 FGBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000285461518 498093438 /nfs/dbraw/zinc/09/34/38/498093438.db2.gz NAXCNZRWPHLJEB-IRXDYDNUSA-N 0 3 360.410 3.386 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000292670264 498103256 /nfs/dbraw/zinc/10/32/56/498103256.db2.gz JBJRMFBIHCKSKT-RTBURBONSA-N 0 3 356.422 3.122 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cn(C)nc1-c1cccnc1 ZINC000289368264 498122937 /nfs/dbraw/zinc/12/29/37/498122937.db2.gz LCKVHGCEHDACEL-UHFFFAOYSA-N 0 3 351.410 3.065 20 5 FGBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301494583 498134603 /nfs/dbraw/zinc/13/46/03/498134603.db2.gz ACBUJGKEWFPDNZ-LBPRGKRZSA-N 0 3 360.380 3.052 20 5 FGBDHN CC(C)(C)CCN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301701295 498231148 /nfs/dbraw/zinc/23/11/48/498231148.db2.gz SPXSRVFJPRUNSS-UHFFFAOYSA-N 0 3 371.279 3.311 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000360063636 498242160 /nfs/dbraw/zinc/24/21/60/498242160.db2.gz ZVEZVRVDLBVMNC-BEFAXECRSA-N 0 3 358.394 3.283 20 5 FGBDHN CN1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccccc1 ZINC000301825793 498281311 /nfs/dbraw/zinc/28/13/11/498281311.db2.gz DWYIDZRMRCWHHT-QRWLVFNGSA-N 0 3 366.421 3.337 20 5 FGBDHN CC1CCN(C[C@H](O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301860460 498298471 /nfs/dbraw/zinc/29/84/71/498298471.db2.gz KOOXCDMNABJOBL-QGZVFWFLSA-N 0 3 370.453 3.162 20 5 FGBDHN Cc1cccc(CN2CCC(Nc3ccc4ncc([N+](=O)[O-])n4n3)CC2)c1 ZINC000301864811 498301686 /nfs/dbraw/zinc/30/16/86/498301686.db2.gz BDCINAWBCNDSEA-UHFFFAOYSA-N 0 3 366.425 3.022 20 5 FGBDHN Cc1ccn(C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000365128429 498311625 /nfs/dbraw/zinc/31/16/25/498311625.db2.gz YQBUPELKXCBSTR-UHFFFAOYSA-N 0 3 371.441 3.074 20 5 FGBDHN COc1cccc([C@@H]2[C@@H](Nc3ccc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000302063658 498392370 /nfs/dbraw/zinc/39/23/70/498392370.db2.gz RVIPWQUHVXZCBA-PKOBYXMFSA-N 0 3 354.410 3.388 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000331620017 498396259 /nfs/dbraw/zinc/39/62/59/498396259.db2.gz TXPGPPGABDEJPS-IJEWVQPXSA-N 0 3 363.483 3.161 20 5 FGBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293610540 498428835 /nfs/dbraw/zinc/42/88/35/498428835.db2.gz WMVBEHRBXYCUCQ-NSHDSACASA-N 0 3 359.348 3.216 20 5 FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293637268 498436493 /nfs/dbraw/zinc/43/64/93/498436493.db2.gz LXNSQBKFENOWLA-WCQYABFASA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000303541604 498690069 /nfs/dbraw/zinc/69/00/69/498690069.db2.gz YPDANBXNDJRTLE-INIZCTEOSA-N 0 3 370.453 3.034 20 5 FGBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303944272 498730103 /nfs/dbraw/zinc/73/01/03/498730103.db2.gz ZBANCYZXVKSAFX-IAGOWNOFSA-N 0 3 363.458 3.109 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000291083264 498787467 /nfs/dbraw/zinc/78/74/67/498787467.db2.gz OTUARNUJHZTCFF-LBPRGKRZSA-N 0 3 373.434 3.196 20 5 FGBDHN CC(=O)N1CCC[C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291478030 498957304 /nfs/dbraw/zinc/95/73/04/498957304.db2.gz FOKXCJULBDPKHJ-LLVKDONJSA-N 0 3 360.241 3.250 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000288246903 498976360 /nfs/dbraw/zinc/97/63/60/498976360.db2.gz FYQHXFGIZJVYGV-AAEUAGOBSA-N 0 3 371.359 3.312 20 5 FGBDHN C[C@@H](NC1(C2CC2)CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000367024517 499135789 /nfs/dbraw/zinc/13/57/89/499135789.db2.gz ZBLUBFOXHPZRTC-GFCCVEGCSA-N 0 3 358.398 3.255 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000370582172 499233352 /nfs/dbraw/zinc/23/33/52/499233352.db2.gz IISGOJJSIXITGQ-DOTOQJQBSA-N 0 3 368.437 3.115 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCc4nc[nH]c4C3)cs2)c1 ZINC000368087661 499262948 /nfs/dbraw/zinc/26/29/48/499262948.db2.gz BVPIRFWPOPEVFL-GFCCVEGCSA-N 0 3 355.423 3.089 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCc4[nH]cnc4C3)cs2)c1 ZINC000368087661 499262949 /nfs/dbraw/zinc/26/29/49/499262949.db2.gz BVPIRFWPOPEVFL-GFCCVEGCSA-N 0 3 355.423 3.089 20 5 FGBDHN C[C@@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368496342 499301799 /nfs/dbraw/zinc/30/17/99/499301799.db2.gz NWEZPHVAPXWKKX-CRAIPNDOSA-N 0 3 353.422 3.089 20 5 FGBDHN Cc1cc(NCc2ccnc(-n3ccnc3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000368674861 499320738 /nfs/dbraw/zinc/32/07/38/499320738.db2.gz DZPOSJLAGNQPAB-UHFFFAOYSA-N 0 3 360.377 3.066 20 5 FGBDHN O=C(CCN1CCC(Cc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000369097499 499365408 /nfs/dbraw/zinc/36/54/08/499365408.db2.gz LQRBJYJJOFKKRM-UHFFFAOYSA-N 0 3 368.437 3.273 20 5 FGBDHN CCCn1nccc1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000369212417 499378060 /nfs/dbraw/zinc/37/80/60/499378060.db2.gz BLYNBEYQRJGRTA-LJQANCHMSA-N 0 3 358.442 3.114 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC(CO)(Nc3ccccc3)CC2)cc1 ZINC000369513190 499411007 /nfs/dbraw/zinc/41/10/07/499411007.db2.gz XGIBSSSOOCSDBI-UHFFFAOYSA-N 0 3 355.438 3.076 20 5 FGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(OC(F)F)c3)CC2)n1 ZINC000373273897 499461034 /nfs/dbraw/zinc/46/10/34/499461034.db2.gz KTNSLSCMAQNGPH-UHFFFAOYSA-N 0 3 352.341 3.230 20 5 FGBDHN COc1cc(N(C)CCCN(C)Cc2ccco2)c(F)cc1[N+](=O)[O-] ZINC000570353008 506147284 /nfs/dbraw/zinc/14/72/84/506147284.db2.gz MVMYMKWDVVSVEK-UHFFFAOYSA-N 0 3 351.378 3.294 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375444974 499519944 /nfs/dbraw/zinc/51/99/44/499519944.db2.gz OEEDECNDMCBEJO-CQSZACIVSA-N 0 3 358.398 3.114 20 5 FGBDHN Cn1cc(CN2CCC(c3c[nH]cn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376489685 499612198 /nfs/dbraw/zinc/61/21/98/499612198.db2.gz DQQOETWMBIQXMA-UHFFFAOYSA-N 0 3 366.425 3.098 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000377060909 499658131 /nfs/dbraw/zinc/65/81/31/499658131.db2.gz IRRKYNTWTASFJX-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN CC(C)Oc1cc(C(=O)NCc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000411185723 499708235 /nfs/dbraw/zinc/70/82/35/499708235.db2.gz IIYFXFPJUCDOJL-UHFFFAOYSA-N 0 3 371.437 3.374 20 5 FGBDHN Cc1nnc([C@H]2CC23CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC3)o1 ZINC000377614547 499710191 /nfs/dbraw/zinc/71/01/91/499710191.db2.gz JFAQQMOMNRILSE-QGZVFWFLSA-N 0 3 372.425 3.325 20 5 FGBDHN C[C@H](N[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377990075 499753796 /nfs/dbraw/zinc/75/37/96/499753796.db2.gz HDYLMKNAKIUHND-XJKSGUPXSA-N 0 3 371.441 3.170 20 5 FGBDHN CC(C)(C)[C@@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603232240 506462988 /nfs/dbraw/zinc/46/29/88/506462988.db2.gz VHBJKFXEALBAEB-ZDUSSCGKSA-N 0 3 357.336 3.299 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412347731 499847134 /nfs/dbraw/zinc/84/71/34/499847134.db2.gz PLGGKIZGPWLWHK-GOEBONIOSA-N 0 3 361.442 3.081 20 5 FGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413169330 499921888 /nfs/dbraw/zinc/92/18/88/499921888.db2.gz MKGFIKLYIGHQME-MRXNPFEDSA-N 0 3 358.417 3.477 20 5 FGBDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429239141 500030798 /nfs/dbraw/zinc/03/07/98/500030798.db2.gz PLUUNTLXKQACLF-UHFFFAOYSA-N 0 3 373.457 3.013 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000421473005 500057336 /nfs/dbraw/zinc/05/73/36/500057336.db2.gz GJKJQZOBZVJLKA-UHFFFAOYSA-N 0 3 367.449 3.041 20 5 FGBDHN O=[N+]([O-])c1c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)nc2sccn21 ZINC000425272272 500062156 /nfs/dbraw/zinc/06/21/56/500062156.db2.gz FRJOPRNXOLZPGZ-LSDHHAIUSA-N 0 3 369.450 3.015 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000421533739 500074378 /nfs/dbraw/zinc/07/43/78/500074378.db2.gz KSGPAUDRKSFCOL-SFHVURJKSA-N 0 3 367.449 3.464 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CCOCC2)C2(CO)CCC2)c(Cl)c1 ZINC000425373706 500088052 /nfs/dbraw/zinc/08/80/52/500088052.db2.gz QMVJTBOHWVXLSW-QGZVFWFLSA-N 0 3 368.861 3.296 20 5 FGBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425541489 500139476 /nfs/dbraw/zinc/13/94/76/500139476.db2.gz MXCWSTAKUOMKBW-KRWDZBQOSA-N 0 3 368.861 3.296 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000421762762 500143361 /nfs/dbraw/zinc/14/33/61/500143361.db2.gz OEUGNNQRQNALII-UHFFFAOYSA-N 0 3 371.437 3.082 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000421902409 500172509 /nfs/dbraw/zinc/17/25/09/500172509.db2.gz CHYAFUWZXKXQID-KRWDZBQOSA-N 0 3 369.421 3.031 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000417856751 500185296 /nfs/dbraw/zinc/18/52/96/500185296.db2.gz SOYHWFJQPLBDQG-KBXCAEBGSA-N 0 3 368.437 3.150 20 5 FGBDHN COC(=O)[C@]1(c2ccccc2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000430084999 500190093 /nfs/dbraw/zinc/19/00/93/500190093.db2.gz LMXVEUDGZDXNGL-WFNSPDMASA-N 0 3 366.417 3.425 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccnc(N2CCOCC2)c1 ZINC000570505181 506183056 /nfs/dbraw/zinc/18/30/56/506183056.db2.gz HMZXTXYZTQTHBW-LFIBNONCSA-N 0 3 368.437 3.020 20 5 FGBDHN CCc1ccc([C@H](N[C@H]2CNCCC2(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423469043 500376430 /nfs/dbraw/zinc/37/64/30/500376430.db2.gz CELIEEXRKJLZFJ-DLBZAZTESA-N 0 3 365.380 3.426 20 5 FGBDHN O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000432164414 500478705 /nfs/dbraw/zinc/47/87/05/500478705.db2.gz DLSDYUMKXXBZQT-HNNXBMFYSA-N 0 3 361.829 3.427 20 5 FGBDHN CN1CC[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000424317213 500485587 /nfs/dbraw/zinc/48/55/87/500485587.db2.gz DWHWWIJSMFMZPG-MGPUTAFESA-N 0 3 353.422 3.142 20 5 FGBDHN Nc1c(F)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428689044 500543760 /nfs/dbraw/zinc/54/37/60/500543760.db2.gz IPDVEYUXPAJLSV-HNNXBMFYSA-N 0 3 374.416 3.019 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420988016 500548804 /nfs/dbraw/zinc/54/88/04/500548804.db2.gz SBQWSDGKJYPFQM-DOTOQJQBSA-N 0 3 366.364 3.321 20 5 FGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](C)C1 ZINC000437183701 500611361 /nfs/dbraw/zinc/61/13/61/500611361.db2.gz MPAHEHBISVELLT-NEPJUHHUSA-N 0 3 373.375 3.464 20 5 FGBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000447538842 500620304 /nfs/dbraw/zinc/62/03/04/500620304.db2.gz DMUJOACVMGSUKK-HOTGVXAUSA-N 0 3 360.414 3.082 20 5 FGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cn3cc(Cl)ccc3n2)n1 ZINC000447543409 500621015 /nfs/dbraw/zinc/62/10/15/500621015.db2.gz RZKQQYXLTICPJN-CABCVRRESA-N 0 3 374.832 3.366 20 5 FGBDHN CN1CCC[C@H]1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447681063 500644327 /nfs/dbraw/zinc/64/43/27/500644327.db2.gz VTZILRDKKVYSJQ-QMMMGPOBSA-N 0 3 354.279 3.150 20 5 FGBDHN CC1(C)C[C@@H](NCc2ccc(OCCO)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433284183 500660652 /nfs/dbraw/zinc/66/06/52/500660652.db2.gz QCZWYVPTKDNJMT-LJQANCHMSA-N 0 3 356.422 3.478 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447894177 500687025 /nfs/dbraw/zinc/68/70/25/500687025.db2.gz RXUFHSKELIWBRU-AWEZNQCLSA-N 0 3 354.838 3.490 20 5 FGBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000448193801 500731324 /nfs/dbraw/zinc/73/13/24/500731324.db2.gz OLJKYNHSGOZJRG-YPMHNXCESA-N 0 3 371.359 3.170 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448258566 500741015 /nfs/dbraw/zinc/74/10/15/500741015.db2.gz XBCCGRKTCNYGJJ-GOSISDBHSA-N 0 3 374.485 3.389 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](CCO)c1ccccc1 ZINC000444236225 500822006 /nfs/dbraw/zinc/82/20/06/500822006.db2.gz GSCCJBLELRIZDZ-LJQANCHMSA-N 0 3 371.437 3.287 20 5 FGBDHN CC(C)(NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000434351566 500830059 /nfs/dbraw/zinc/83/00/59/500830059.db2.gz KSKFDLGBTQPOAK-QGZVFWFLSA-N 0 3 360.458 3.146 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3COc4ccc(Cl)cc43)CC2)cn1 ZINC000602571788 506220566 /nfs/dbraw/zinc/22/05/66/506220566.db2.gz XSEIEDBNYHSIEE-MRXNPFEDSA-N 0 3 374.828 3.335 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](CO)Cc1ccco1 ZINC000602570779 506221181 /nfs/dbraw/zinc/22/11/81/506221181.db2.gz TXCSIBZQLTUXTC-LLVKDONJSA-N 0 3 358.316 3.147 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000444909734 500920559 /nfs/dbraw/zinc/92/05/59/500920559.db2.gz ZKEXNVTYVRFWKY-AWEZNQCLSA-N 0 3 372.425 3.245 20 5 FGBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC000449239780 500955113 /nfs/dbraw/zinc/95/51/13/500955113.db2.gz WRQBJXXAEYQQJN-CPUCHLNUSA-N 0 3 354.472 3.173 20 5 FGBDHN Cc1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000449281236 500965199 /nfs/dbraw/zinc/96/51/99/500965199.db2.gz CMZVXLFKVXEYNK-AWEZNQCLSA-N 0 3 362.451 3.028 20 5 FGBDHN Cc1ccc(CN2CC[C@@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000449282125 500965835 /nfs/dbraw/zinc/96/58/35/500965835.db2.gz FTQXJPVEQAMRAE-VQIMIIECSA-N 0 3 367.449 3.225 20 5 FGBDHN CCCCNC(=O)C1(NCCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000440904998 501062170 /nfs/dbraw/zinc/06/21/70/501062170.db2.gz WTRIGTFBMJXBJG-UHFFFAOYSA-N 0 3 363.458 3.182 20 5 FGBDHN CC[C@@H](C)N(C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436347343 501111934 /nfs/dbraw/zinc/11/19/34/501111934.db2.gz ZSKDTNZZNYIIFC-CYBMUJFWSA-N 0 3 369.440 3.281 20 5 FGBDHN COc1ccc(OCCN(C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000441491117 501148028 /nfs/dbraw/zinc/14/80/28/501148028.db2.gz RVXMQBFEMPBDSD-UHFFFAOYSA-N 0 3 360.410 3.431 20 5 FGBDHN COc1ccc(CC[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1O ZINC000446845063 501172430 /nfs/dbraw/zinc/17/24/30/501172430.db2.gz KPTAEVBWNMTXFL-GFCCVEGCSA-N 0 3 370.409 3.296 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000450967634 501235696 /nfs/dbraw/zinc/23/56/96/501235696.db2.gz JQRSFEYYFBHAIG-IRXDYDNUSA-N 0 3 361.442 3.169 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCCC2 ZINC000450967632 501235708 /nfs/dbraw/zinc/23/57/08/501235708.db2.gz JQRSFEYYFBHAIG-DLBZAZTESA-N 0 3 361.442 3.169 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C(C)C)[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000451601699 501334755 /nfs/dbraw/zinc/33/47/55/501334755.db2.gz UXAYEHLYMLHBRH-DAYGRLMNSA-N 0 3 365.474 3.109 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700075 501354192 /nfs/dbraw/zinc/35/41/92/501354192.db2.gz XDCDLEWTCHZHRR-DNNBLBMLSA-N 0 3 372.425 3.189 20 5 FGBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1OCCN(C)C ZINC000458190768 501388418 /nfs/dbraw/zinc/38/84/18/501388418.db2.gz CIRPWHHUCAUNRT-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN COC(=O)c1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)cc([N+](=O)[O-])c1 ZINC000458312799 501418055 /nfs/dbraw/zinc/41/80/55/501418055.db2.gz IOIORZNEHXORBF-UHFFFAOYSA-N 0 3 371.393 3.004 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(CC(F)(F)F)CC1 ZINC000452028669 501420703 /nfs/dbraw/zinc/42/07/03/501420703.db2.gz CMAPWLQJMAWXKP-UHFFFAOYSA-N 0 3 361.364 3.062 20 5 FGBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452032661 501421871 /nfs/dbraw/zinc/42/18/71/501421871.db2.gz DHMANSFEFZPUJU-HUUCEWRRSA-N 0 3 355.822 3.124 20 5 FGBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452036175 501422371 /nfs/dbraw/zinc/42/23/71/501422371.db2.gz PBPMKWQYRQTCBO-UKRRQHHQSA-N 0 3 355.822 3.124 20 5 FGBDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454621159 501594406 /nfs/dbraw/zinc/59/44/06/501594406.db2.gz PDCYYSJHOXQARI-AEFFLSMTSA-N 0 3 374.485 3.358 20 5 FGBDHN C[C@H](CCCc1cccnc1)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459643368 501691876 /nfs/dbraw/zinc/69/18/76/501691876.db2.gz OJQPDXYFXDWYIC-HUUCEWRRSA-N 0 3 356.426 3.318 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)CCCc1cccnc1 ZINC000459651902 501693413 /nfs/dbraw/zinc/69/34/13/501693413.db2.gz ZTDAZARLDQWZIA-HNNXBMFYSA-N 0 3 356.426 3.238 20 5 FGBDHN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H](c1ccccc1)N(C)C ZINC000474178441 501732230 /nfs/dbraw/zinc/73/22/30/501732230.db2.gz PVQTXAIDFGPFTI-ORAYPTAESA-N 0 3 366.421 3.497 20 5 FGBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)CC1 ZINC000467220884 501742568 /nfs/dbraw/zinc/74/25/68/501742568.db2.gz XPAVQGNKDUGLKZ-CYBMUJFWSA-N 0 3 368.865 3.168 20 5 FGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCN2C2CCCC2)c1 ZINC000599000039 506270881 /nfs/dbraw/zinc/27/08/81/506270881.db2.gz RCCHGTNYTKVJEA-OAHLLOKOSA-N 0 3 355.385 3.303 20 5 FGBDHN COC(=O)c1cnc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283585 501930366 /nfs/dbraw/zinc/93/03/66/501930366.db2.gz SAXYXBJSRMMMLI-XJKSGUPXSA-N 0 3 370.409 3.024 20 5 FGBDHN COC(=O)c1cc(NC[C@H](c2ccsc2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000474775538 501948801 /nfs/dbraw/zinc/94/88/01/501948801.db2.gz PUFBSIFAABOPRG-OAHLLOKOSA-N 0 3 363.439 3.466 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000482145564 501989203 /nfs/dbraw/zinc/98/92/03/501989203.db2.gz DVLSFUOHVGAQQJ-IAOVAPTHSA-N 0 3 363.458 3.495 20 5 FGBDHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCN1C ZINC000475193006 502094927 /nfs/dbraw/zinc/09/49/27/502094927.db2.gz NPUANMYCMDTWOY-JOYOIKCWSA-N 0 3 360.336 3.218 20 5 FGBDHN COc1cc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)ccc1OCCO ZINC000468627303 502130580 /nfs/dbraw/zinc/13/05/80/502130580.db2.gz DOKWEORXZURMEC-XNTDXEJSSA-N 0 3 372.421 3.168 20 5 FGBDHN COc1cc(CN2C[C@H](O)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804559 502141195 /nfs/dbraw/zinc/14/11/95/502141195.db2.gz MSDSGCHAWFCSDV-RDTXWAMCSA-N 0 3 372.421 3.138 20 5 FGBDHN CC[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(CC)CC ZINC000486708129 502238463 /nfs/dbraw/zinc/23/84/63/502238463.db2.gz NQCJHKCVCNZVDX-CQSZACIVSA-N 0 3 361.364 3.350 20 5 FGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000482990731 502238576 /nfs/dbraw/zinc/23/85/76/502238576.db2.gz WBOBHGOFKTXWMF-NSHDSACASA-N 0 3 366.215 3.482 20 5 FGBDHN COC(=O)COc1ccc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475711109 502260810 /nfs/dbraw/zinc/26/08/10/502260810.db2.gz AVNYIXOBKVZVBT-BMFZPTHFSA-N 0 3 362.426 3.300 20 5 FGBDHN COC(=O)COc1ccc(CN2C[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000475712433 502261008 /nfs/dbraw/zinc/26/10/08/502261008.db2.gz ZNWWAIATJUYWOQ-KGLIPLIRSA-N 0 3 350.415 3.157 20 5 FGBDHN COC(=O)COc1ccc(CN2CCCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000475725370 502266370 /nfs/dbraw/zinc/26/63/70/502266370.db2.gz YBGFEYWNKIHZOM-UHFFFAOYSA-N 0 3 350.415 3.159 20 5 FGBDHN COc1cnccc1N1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000483213481 502315306 /nfs/dbraw/zinc/31/53/06/502315306.db2.gz VHYYYISVKXBMHR-HNNXBMFYSA-N 0 3 356.426 3.190 20 5 FGBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727802 502357990 /nfs/dbraw/zinc/35/79/90/502357990.db2.gz BYTFOJGPRNZCAS-MJGOQNOKSA-N 0 3 368.437 3.148 20 5 FGBDHN Cn1ccnc1[C@H](NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073530 506310283 /nfs/dbraw/zinc/31/02/83/506310283.db2.gz IHYSTLKCTJWSFY-RTBURBONSA-N 0 3 369.469 3.024 20 5 FGBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000476189690 502408416 /nfs/dbraw/zinc/40/84/16/502408416.db2.gz KNEALJHWCVBQQY-GFCCVEGCSA-N 0 3 371.384 3.191 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462875072 502609674 /nfs/dbraw/zinc/60/96/74/502609674.db2.gz GGRDLLGVAXMDRF-IBGZPJMESA-N 0 3 371.437 3.172 20 5 FGBDHN C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000484266815 502611623 /nfs/dbraw/zinc/61/16/23/502611623.db2.gz UDJNHMSVXXYTGO-JHJVBQTASA-N 0 3 353.850 3.168 20 5 FGBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000484492930 502654165 /nfs/dbraw/zinc/65/41/65/502654165.db2.gz VBLMLMGYYUCSPA-SFHVURJKSA-N 0 3 372.425 3.336 20 5 FGBDHN COC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000470155442 502683927 /nfs/dbraw/zinc/68/39/27/502683927.db2.gz XLCQYHSVTIEFFF-GOSISDBHSA-N 0 3 362.813 3.469 20 5 FGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000588766638 506331892 /nfs/dbraw/zinc/33/18/92/506331892.db2.gz NXDWGBUNHRGLGT-WFASDCNBSA-N 0 3 361.398 3.056 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467043519 502769441 /nfs/dbraw/zinc/76/94/41/502769441.db2.gz DRSAMBVOJPNJBU-GUYCJALGSA-N 0 3 357.385 3.127 20 5 FGBDHN Cc1cccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000488670274 502777885 /nfs/dbraw/zinc/77/78/85/502777885.db2.gz AXCNEJITOVWTFA-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000488761443 502805248 /nfs/dbraw/zinc/80/52/48/502805248.db2.gz GLZJLVLMRCMDLG-NSHDSACASA-N 0 3 358.364 3.319 20 5 FGBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCN3C3CCCCC3)cc2N1 ZINC000599128022 506335541 /nfs/dbraw/zinc/33/55/41/506335541.db2.gz VQXJXHLDYSJFSR-OAHLLOKOSA-N 0 3 358.442 3.298 20 5 FGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000513002812 502829147 /nfs/dbraw/zinc/82/91/47/502829147.db2.gz CSNNSBLILAZFAT-FQEVSTJZSA-N 0 3 367.449 3.260 20 5 FGBDHN Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513302252 502899983 /nfs/dbraw/zinc/89/99/83/502899983.db2.gz TWKONRHSJLHVQO-GOSISDBHSA-N 0 3 353.422 3.298 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000489410033 502950826 /nfs/dbraw/zinc/95/08/26/502950826.db2.gz YFUDGKZAPGGTRU-CVEARBPZSA-N 0 3 362.474 3.384 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CCc2ccccc2)CC1 ZINC000588811077 506343548 /nfs/dbraw/zinc/34/35/48/506343548.db2.gz XQNRDMHZJPGRFF-UHFFFAOYSA-N 0 3 357.458 3.239 20 5 FGBDHN CC(C)N(Cc1cccc(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513515228 502957082 /nfs/dbraw/zinc/95/70/82/502957082.db2.gz NDULEEZOLJBLJZ-GOSISDBHSA-N 0 3 362.401 3.384 20 5 FGBDHN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000593029867 506345966 /nfs/dbraw/zinc/34/59/66/506345966.db2.gz VCZNQYDKMOXCLS-HNNXBMFYSA-N 0 3 350.415 3.161 20 5 FGBDHN COc1ccc(CN(CCO)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506787182 503172634 /nfs/dbraw/zinc/17/26/34/503172634.db2.gz AIYYSQLAUVIEPO-UHFFFAOYSA-N 0 3 374.437 3.385 20 5 FGBDHN CN(C)CCOc1cnccc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000515249096 503301533 /nfs/dbraw/zinc/30/15/33/503301533.db2.gz AUMBIWUOPMVUNH-LJQANCHMSA-N 0 3 370.453 3.097 20 5 FGBDHN Cc1cccc(C)c1OC[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516048766 503437809 /nfs/dbraw/zinc/43/78/09/503437809.db2.gz NUDAKURKKLKIQQ-IAGOWNOFSA-N 0 3 374.437 3.008 20 5 FGBDHN CCc1cc(OC)ccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000503871804 503480677 /nfs/dbraw/zinc/48/06/77/503480677.db2.gz LARAALZYVHPMGK-MRXNPFEDSA-N 0 3 356.426 3.247 20 5 FGBDHN COc1ccc(NC(=O)CCN(Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000516255254 503483755 /nfs/dbraw/zinc/48/37/55/503483755.db2.gz UQLGFLSLHAMEBN-UHFFFAOYSA-N 0 3 372.425 3.238 20 5 FGBDHN CN1C(=O)C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000494231877 503508823 /nfs/dbraw/zinc/50/88/23/503508823.db2.gz WHIISKOBEMIPPS-IEBWSBKVSA-N 0 3 373.840 3.352 20 5 FGBDHN C[C@]1(c2ccccc2)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184783 503573938 /nfs/dbraw/zinc/57/39/38/503573938.db2.gz WMZOHEDEWIDHIB-CTNGQTDRSA-N 0 3 370.449 3.388 20 5 FGBDHN COCC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000508994436 503615580 /nfs/dbraw/zinc/61/55/80/503615580.db2.gz HJWRLMJKYCMXHA-CJNGLKHVSA-N 0 3 351.447 3.271 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3[C@H]3CCCOC3)n2)cc1 ZINC000517027288 503647190 /nfs/dbraw/zinc/64/71/90/503647190.db2.gz HIPDBXMIIJCHCM-HOCLYGCPSA-N 0 3 358.398 3.036 20 5 FGBDHN CCN(CC)C(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000533060369 503717432 /nfs/dbraw/zinc/71/74/32/503717432.db2.gz GUFBBVZHMTUTIC-UHFFFAOYSA-N 0 3 363.458 3.135 20 5 FGBDHN COc1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)ccc1OC1CCCC1 ZINC000540352476 503747416 /nfs/dbraw/zinc/74/74/16/503747416.db2.gz NVKGDHUAIHGWFV-AWEZNQCLSA-N 0 3 374.441 3.472 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCNC[C@@H]3C(F)F)s2)cc1 ZINC000517567137 503773626 /nfs/dbraw/zinc/77/36/26/503773626.db2.gz BIUQDPZPIRFQPU-CQSZACIVSA-N 0 3 353.394 3.362 20 5 FGBDHN COc1ccc(OCCN[C@@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000537067829 503792116 /nfs/dbraw/zinc/79/21/16/503792116.db2.gz GPLFZBOSBGVMOM-LBPRGKRZSA-N 0 3 360.366 3.062 20 5 FGBDHN C[C@@H](C(=O)N1CCCN(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543552201 503810550 /nfs/dbraw/zinc/81/05/50/503810550.db2.gz OEKCCRUAVJFBLM-CYBMUJFWSA-N 0 3 351.422 3.170 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000540629447 503838166 /nfs/dbraw/zinc/83/81/66/503838166.db2.gz GWRPKQIOGHRTJN-IYBDPMFKSA-N 0 3 363.458 3.051 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000533600986 503900159 /nfs/dbraw/zinc/90/01/59/503900159.db2.gz HVDVCFSFPBJBKE-UHFFFAOYSA-N 0 3 373.457 3.082 20 5 FGBDHN COc1cc(CN2CCC(CCCn3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000543987908 503961024 /nfs/dbraw/zinc/96/10/24/503961024.db2.gz OQUAMOLAMUVCLC-UHFFFAOYSA-N 0 3 358.442 3.492 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000518803952 504068600 /nfs/dbraw/zinc/06/86/00/504068600.db2.gz UGXNMINDDOHLMA-UHFFFAOYSA-N 0 3 371.412 3.437 20 5 FGBDHN Cc1ccccc1[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541326684 504091812 /nfs/dbraw/zinc/09/18/12/504091812.db2.gz QNYJIVOBFPHZPG-IBGZPJMESA-N 0 3 374.462 3.418 20 5 FGBDHN COC(=O)C[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000544424700 504128259 /nfs/dbraw/zinc/12/82/59/504128259.db2.gz OABSKRXKDCSFPB-OAHLLOKOSA-N 0 3 350.415 3.205 20 5 FGBDHN C[C@@H](CCC1CCCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541741403 504239237 /nfs/dbraw/zinc/23/92/37/504239237.db2.gz RRIXVQDXJITSFJ-AWEZNQCLSA-N 0 3 354.472 3.317 20 5 FGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000538746067 504355866 /nfs/dbraw/zinc/35/58/66/504355866.db2.gz UESOZCVYBWNVQR-SFHVURJKSA-N 0 3 369.465 3.423 20 5 FGBDHN C[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531709759 504399159 /nfs/dbraw/zinc/39/91/59/504399159.db2.gz OZEVXVZORLTJJD-DYESRHJHSA-N 0 3 368.481 3.234 20 5 FGBDHN Cc1cccc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000542322349 504450531 /nfs/dbraw/zinc/45/05/31/504450531.db2.gz ULDPWNZICYSKLP-ROUUACIJSA-N 0 3 356.422 3.132 20 5 FGBDHN C[C@@]1(CCc2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000535583524 504477525 /nfs/dbraw/zinc/47/75/25/504477525.db2.gz ULRDRYPHYQDCIO-HXUWFJFHSA-N 0 3 355.438 3.101 20 5 FGBDHN CCCCn1cc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000539214628 504499569 /nfs/dbraw/zinc/49/95/69/504499569.db2.gz RPRUBIUQCNYKMK-CQSZACIVSA-N 0 3 373.457 3.407 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000520442359 504500469 /nfs/dbraw/zinc/50/04/69/504500469.db2.gz ZMHWKKKIXRWVQD-AWEZNQCLSA-N 0 3 351.422 3.002 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](COCc2ccccc2)c2ccccc2)c1 ZINC000539359541 504540685 /nfs/dbraw/zinc/54/06/85/504540685.db2.gz MYLDAJYSWSMCSV-FQEVSTJZSA-N 0 3 366.421 3.339 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000520760371 504576462 /nfs/dbraw/zinc/57/64/62/504576462.db2.gz ZHEPSBIGGLLCTA-KKUMJFAQSA-N 0 3 365.499 3.455 20 5 FGBDHN CCCCn1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000520798175 504584171 /nfs/dbraw/zinc/58/41/71/504584171.db2.gz QKNNMEMEFSGJGT-UHFFFAOYSA-N 0 3 359.430 3.018 20 5 FGBDHN COCC[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536034215 504613031 /nfs/dbraw/zinc/61/30/31/504613031.db2.gz BLATXJIVAASRMS-WMZOPIPTSA-N 0 3 356.426 3.254 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545854754 504616669 /nfs/dbraw/zinc/61/66/69/504616669.db2.gz TUUVPFVBEFYZAV-AWEZNQCLSA-N 0 3 365.449 3.392 20 5 FGBDHN COc1ccc(-c2ccc(CN3CCC[C@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000542820195 504624239 /nfs/dbraw/zinc/62/42/39/504624239.db2.gz MUYXKOVDFJEVEW-KBPBESRZSA-N 0 3 360.410 3.456 20 5 FGBDHN CCN1CCN([C@H](C)CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549107231 504688203 /nfs/dbraw/zinc/68/82/03/504688203.db2.gz HWYXXFMBRKQJNU-CYBMUJFWSA-N 0 3 374.407 3.360 20 5 FGBDHN Cn1cccc1[C@H]1CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532625493 504714937 /nfs/dbraw/zinc/71/49/37/504714937.db2.gz YUFKHDMSYGBEJY-MRXNPFEDSA-N 0 3 370.409 3.068 20 5 FGBDHN COC(=O)c1ccc([N+](=O)[O-])c(SCCN(C)Cc2ccccc2)n1 ZINC000553231066 504858397 /nfs/dbraw/zinc/85/83/97/504858397.db2.gz QLNIMZSAMDNHGF-UHFFFAOYSA-N 0 3 361.423 3.001 20 5 FGBDHN C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCc2ccccc2C1 ZINC000553311958 504879748 /nfs/dbraw/zinc/87/97/48/504879748.db2.gz QBUIZTYSSQTVCX-LBPRGKRZSA-N 0 3 369.450 3.458 20 5 FGBDHN CC(C)c1n[nH]c(C(=O)N(CCN2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000553730732 504993720 /nfs/dbraw/zinc/99/37/20/504993720.db2.gz FZBJXNPPDYKRKC-UHFFFAOYSA-N 0 3 365.478 3.168 20 5 FGBDHN CC(C)c1[nH]nc(C(=O)N(CCN2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000553730732 504993723 /nfs/dbraw/zinc/99/37/23/504993723.db2.gz FZBJXNPPDYKRKC-UHFFFAOYSA-N 0 3 365.478 3.168 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000556915512 505015921 /nfs/dbraw/zinc/01/59/21/505015921.db2.gz RMLUIFQHXUYELS-HZPDHXFCSA-N 0 3 360.458 3.234 20 5 FGBDHN CCN(CCN1CCCCCC1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000553922425 505043526 /nfs/dbraw/zinc/04/35/26/505043526.db2.gz BUGQHNFTYNXVSE-UHFFFAOYSA-N 0 3 362.474 3.040 20 5 FGBDHN CC1(C)C[C@H](NCC2(S(C)(=O)=O)CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000560581379 505132766 /nfs/dbraw/zinc/13/27/66/505132766.db2.gz SRMUEIVLGAJLHM-INIZCTEOSA-N 0 3 366.483 3.264 20 5 FGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000566395408 505163479 /nfs/dbraw/zinc/16/34/79/505163479.db2.gz GQQNBNQGSSCXIG-GQCTYLIASA-N 0 3 365.231 3.199 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000551465805 505232301 /nfs/dbraw/zinc/23/23/01/505232301.db2.gz SAVZXWHOUJGYNC-YJBOKZPZSA-N 0 3 356.422 3.413 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552049085 505381698 /nfs/dbraw/zinc/38/16/98/505381698.db2.gz KYFYRUCSSBKOTN-FCEWJHQRSA-N 0 3 371.485 3.270 20 5 FGBDHN CCc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000564434815 505419417 /nfs/dbraw/zinc/41/94/17/505419417.db2.gz GHWMSZFPGVNAOD-GOSISDBHSA-N 0 3 371.437 3.199 20 5 FGBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561763286 505430879 /nfs/dbraw/zinc/43/08/79/505430879.db2.gz ZAGDLWWFPSQUQK-MKBNYLNASA-N 0 3 351.834 3.051 20 5 FGBDHN CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567418070 505456534 /nfs/dbraw/zinc/45/65/34/505456534.db2.gz IXNIPLOFGLEZCV-RDJZCZTQSA-N 0 3 374.437 3.426 20 5 FGBDHN COC(=O)[C@@H](C)Oc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000561968656 505481536 /nfs/dbraw/zinc/48/15/36/505481536.db2.gz DKGIIKXQQUYOTK-OAHLLOKOSA-N 0 3 372.421 3.210 20 5 FGBDHN Cc1ccc(CN(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000561982365 505484487 /nfs/dbraw/zinc/48/44/87/505484487.db2.gz NIHIPBLJJFHKMW-DYESRHJHSA-N 0 3 370.449 3.445 20 5 FGBDHN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986268 505565406 /nfs/dbraw/zinc/56/54/06/505565406.db2.gz PPTCLGJXWUYPJB-UKRRQHHQSA-N 0 3 350.415 3.003 20 5 FGBDHN COc1ccc(CNC[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588928768 506384235 /nfs/dbraw/zinc/38/42/35/506384235.db2.gz SYRABJTZRNVAIX-CQSZACIVSA-N 0 3 350.802 3.123 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000612029186 506399924 /nfs/dbraw/zinc/39/99/24/506399924.db2.gz PAEHDZPNMTYEJN-ZBFHGGJFSA-N 0 3 360.410 3.084 20 5 FGBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596471542 506423618 /nfs/dbraw/zinc/42/36/18/506423618.db2.gz XDXDOTQZQHXVKO-IBGZPJMESA-N 0 3 368.437 3.376 20 5 FGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000599598860 506523836 /nfs/dbraw/zinc/52/38/36/506523836.db2.gz ARJMARCARLCVGA-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000583083106 506581181 /nfs/dbraw/zinc/58/11/81/506581181.db2.gz GRLKLDJIRNVXIM-KUHUBIRLSA-N 0 3 368.437 3.232 20 5 FGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836768 506668247 /nfs/dbraw/zinc/66/82/47/506668247.db2.gz XYVOWEPBYGYAQH-KGLIPLIRSA-N 0 3 369.425 3.234 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000604097727 506712840 /nfs/dbraw/zinc/71/28/40/506712840.db2.gz RVMUYJQVAYFQOW-UHFFFAOYSA-N 0 3 368.393 3.399 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100229 506773819 /nfs/dbraw/zinc/77/38/19/506773819.db2.gz HBTOGAUJCZJPIY-JTQLQIEISA-N 0 3 369.853 3.024 20 5 FGBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000590446577 506826775 /nfs/dbraw/zinc/82/67/75/506826775.db2.gz UTQMJFQPMZMWHI-KSSFIOAISA-N 0 3 367.405 3.163 20 5 FGBDHN COc1ccc(-c2ccc(CN3CC[C@H]4COC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232372 506850230 /nfs/dbraw/zinc/85/02/30/506850230.db2.gz UIPINGAZPDKKHB-KBPBESRZSA-N 0 3 358.394 3.332 20 5 FGBDHN COc1cc(CNC2([C@H](C)O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597234787 506851307 /nfs/dbraw/zinc/85/13/07/506851307.db2.gz QLDITIRAQJUQID-AWEZNQCLSA-N 0 3 372.421 3.185 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230607 506861192 /nfs/dbraw/zinc/86/11/92/506861192.db2.gz WFPKATIYXQNWFE-AWEZNQCLSA-N 0 3 363.483 3.454 20 5 FGBDHN O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600229128 506861315 /nfs/dbraw/zinc/86/13/15/506861315.db2.gz PVVRVXFOHWQGKW-HNNXBMFYSA-N 0 3 363.483 3.210 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600230415 506861734 /nfs/dbraw/zinc/86/17/34/506861734.db2.gz SKKGJIOSFNGOKJ-AWEZNQCLSA-N 0 3 356.426 3.213 20 5 FGBDHN CCCCN1CCCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000604537879 506867195 /nfs/dbraw/zinc/86/71/95/506867195.db2.gz MDUUPIUMPHOGTB-MRXNPFEDSA-N 0 3 365.499 3.458 20 5 FGBDHN Cc1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000604539059 506867622 /nfs/dbraw/zinc/86/76/22/506867622.db2.gz DQIIYVZWYBRYBC-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609489260 506898206 /nfs/dbraw/zinc/89/82/06/506898206.db2.gz FBCLZLLCDQDZRV-AWEZNQCLSA-N 0 3 363.458 3.234 20 5 FGBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1Cl ZINC000609543620 506915539 /nfs/dbraw/zinc/91/55/39/506915539.db2.gz CJGFKIUFWHQFOE-INIZCTEOSA-N 0 3 359.813 3.186 20 5 FGBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594194906 506999441 /nfs/dbraw/zinc/99/94/41/506999441.db2.gz AJMYIUSRPYIILZ-CVEARBPZSA-N 0 3 361.442 3.129 20 5 FGBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594194908 506999714 /nfs/dbraw/zinc/99/97/14/506999714.db2.gz AJMYIUSRPYIILZ-HZPDHXFCSA-N 0 3 361.442 3.129 20 5 FGBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1CN1CCCCC1 ZINC000609793030 507003563 /nfs/dbraw/zinc/00/35/63/507003563.db2.gz HVDWYRBNQPCQTO-MRXNPFEDSA-N 0 3 365.861 3.268 20 5 FGBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916221 507048410 /nfs/dbraw/zinc/04/84/10/507048410.db2.gz FMZZIYIZHKEKBI-IDHHARJASA-N 0 3 374.412 3.352 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000609977961 507059557 /nfs/dbraw/zinc/05/95/57/507059557.db2.gz KLBWJUDDVZDNDF-RDJZCZTQSA-N 0 3 370.453 3.058 20 5 FGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCN(C2CCCC2)CC1 ZINC000609997596 507066037 /nfs/dbraw/zinc/06/60/37/507066037.db2.gz SZBRRBDPSBNQSB-UHFFFAOYSA-N 0 3 357.410 3.432 20 5 FGBDHN CC(C)(NC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000594363005 507094326 /nfs/dbraw/zinc/09/43/26/507094326.db2.gz DRVNIOZZEKAPSQ-QGZVFWFLSA-N 0 3 367.449 3.468 20 5 FGBDHN Cc1ccc(Sc2ccc(CNC[C@@H]3COCCN3)cc2[N+](=O)[O-])cc1 ZINC000600777616 507116945 /nfs/dbraw/zinc/11/69/45/507116945.db2.gz VHKRHALSFJELHP-MRXNPFEDSA-N 0 3 373.478 3.132 20 5 FGBDHN CN(C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000613578511 507165183 /nfs/dbraw/zinc/16/51/83/507165183.db2.gz UAJIOQPIUJGUFB-AWEZNQCLSA-N 0 3 354.332 3.145 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597920921 507174375 /nfs/dbraw/zinc/17/43/75/507174375.db2.gz CULVLTXHGRJSDM-GFCCVEGCSA-N 0 3 351.472 3.309 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597925466 507178032 /nfs/dbraw/zinc/17/80/32/507178032.db2.gz PXRJYXXYIGDVFK-OLZOCXBDSA-N 0 3 351.472 3.064 20 5 FGBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603317 507205512 /nfs/dbraw/zinc/20/55/12/507205512.db2.gz UCKVHLLPVXSDLO-NVXWUHKLSA-N 0 3 360.458 3.162 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(CC)C1 ZINC000598042257 507230420 /nfs/dbraw/zinc/23/04/20/507230420.db2.gz WQIBWBPCVGBWRH-ZDUSSCGKSA-N 0 3 359.348 3.170 20 5 FGBDHN Cc1cc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000598194816 507306001 /nfs/dbraw/zinc/30/60/01/507306001.db2.gz IZTBCSPEQKKPEG-IBGZPJMESA-N 0 3 367.449 3.292 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601279321 507319795 /nfs/dbraw/zinc/31/97/95/507319795.db2.gz DSSSEWLGQBOILR-WMLDXEAASA-N 0 3 371.412 3.374 20 5 FGBDHN O=C(NCCN1CCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000610632826 507326501 /nfs/dbraw/zinc/32/65/01/507326501.db2.gz YIQGOMVAMCVFPO-UHFFFAOYSA-N 0 3 354.410 3.164 20 5 FGBDHN C[C@H](NCc1ccc(CN2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595065316 507374946 /nfs/dbraw/zinc/37/49/46/507374946.db2.gz AACYOYWIKRVWKM-YWZLYKJASA-N 0 3 355.438 3.012 20 5 FGBDHN CCc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000610762023 507380151 /nfs/dbraw/zinc/38/01/51/507380151.db2.gz UYEGYYQPLCYEHM-INIZCTEOSA-N 0 3 369.421 3.127 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(S(C)(=O)=O)CCCCC1 ZINC000595079872 507383080 /nfs/dbraw/zinc/38/30/80/507383080.db2.gz ZZGDAOAFTNQMPA-CQSZACIVSA-N 0 3 354.472 3.301 20 5 FGBDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595098379 507390015 /nfs/dbraw/zinc/39/00/15/507390015.db2.gz PMSMYSYZKOUWJM-HZPDHXFCSA-N 0 3 358.446 3.066 20 5 FGBDHN CCOc1ccc([C@H](C)NCC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595104381 507394955 /nfs/dbraw/zinc/39/49/55/507394955.db2.gz PQQRRPGHBUEWNR-LIRRHRJNSA-N 0 3 366.458 3.212 20 5 FGBDHN CC[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535352 507475333 /nfs/dbraw/zinc/47/53/33/507475333.db2.gz CFXGLZMFODTYGI-YQQAZPJKSA-N 0 3 374.485 3.044 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccccc2F)CCC1 ZINC000592145024 507506965 /nfs/dbraw/zinc/50/69/65/507506965.db2.gz SSYFJQXYSGNGDV-AWEZNQCLSA-N 0 3 360.385 3.143 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2cccc(F)c2)CCC1 ZINC000592144284 507507860 /nfs/dbraw/zinc/50/78/60/507507860.db2.gz BKGXJTCPRLTTSH-MRXNPFEDSA-N 0 3 360.385 3.143 20 5 FGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595477648 507520890 /nfs/dbraw/zinc/52/08/90/507520890.db2.gz RQEWMMDKUIPOLL-DYVFJYSZSA-N 0 3 360.385 3.244 20 5 FGBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(C(F)(F)F)cc3)CCC2)c1 ZINC000598644183 507530903 /nfs/dbraw/zinc/53/09/03/507530903.db2.gz XCUYEQSYJUJVAY-UHFFFAOYSA-N 0 3 354.332 3.479 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000611394346 507661033 /nfs/dbraw/zinc/66/10/33/507661033.db2.gz DDSNWTRDIOAPTM-INIZCTEOSA-N 0 3 362.813 3.267 20 5 FGBDHN O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000586795074 507673681 /nfs/dbraw/zinc/67/36/81/507673681.db2.gz ORHVKNMIAKWZHF-QFBILLFUSA-N 0 3 372.469 3.242 20 5 FGBDHN O=C(CCN1CCC([C@@H]2CCCCO2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595785525 507683355 /nfs/dbraw/zinc/68/33/55/507683355.db2.gz XGHYWGPWMKTMKA-SFHVURJKSA-N 0 3 361.442 3.205 20 5 FGBDHN O=C(NCc1ccccc1)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592523140 507693698 /nfs/dbraw/zinc/69/36/98/507693698.db2.gz KAXRTIXTMQCGQP-SMTIMMHKSA-N 0 3 365.433 3.246 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCCC2)OC[C@@H]1C ZINC000595815621 507697857 /nfs/dbraw/zinc/69/78/57/507697857.db2.gz OVNUNFSUVMPGSL-HNNXBMFYSA-N 0 3 361.442 3.265 20 5 FGBDHN COc1cccc([C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C)c1 ZINC000602505859 507730420 /nfs/dbraw/zinc/73/04/20/507730420.db2.gz WGAOPFXKDMLISS-KRWDZBQOSA-N 0 3 370.409 3.137 20 5 FGBDHN C[C@@H]1C[C@@H]1c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602517906 507734740 /nfs/dbraw/zinc/73/47/40/507734740.db2.gz KUTAMUFFFKBBFX-DYVFJYSZSA-N 0 3 356.426 3.465 20 5 FGBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccs1 ZINC000193588410 712896790 /nfs/dbraw/zinc/89/67/90/712896790.db2.gz ZSXHFWHGDDOANO-HNNXBMFYSA-N 0 3 360.439 3.256 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000373837054 713875490 /nfs/dbraw/zinc/87/54/90/713875490.db2.gz VNGIIQBZMLEBIH-SNVBAGLBSA-N 0 3 358.225 3.212 20 5 FGBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000804852999 724557911 /nfs/dbraw/zinc/55/79/11/724557911.db2.gz QZYHEBMULNDZMG-RISCZKNCSA-N 0 3 354.248 3.420 20 5 FGBDHN Cc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nn2)cc1[N+](=O)[O-] ZINC001165031547 721858697 /nfs/dbraw/zinc/85/86/97/721858697.db2.gz BRWUFMOCXZJENX-UHFFFAOYSA-N 0 3 367.453 3.425 20 5 FGBDHN C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000731942027 722479700 /nfs/dbraw/zinc/47/97/00/722479700.db2.gz DPHYSACZMFPMHJ-CQSZACIVSA-N 0 3 358.467 3.402 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cc(F)cc(Br)c2)c1 ZINC000749693882 722737489 /nfs/dbraw/zinc/73/74/89/722737489.db2.gz WBAPJJRKFYPCQX-OAHLLOKOSA-N 0 3 369.190 3.320 20 5 FGBDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000761216697 723133867 /nfs/dbraw/zinc/13/38/67/723133867.db2.gz PQESLTDEMXJRKN-HNNXBMFYSA-N 0 3 356.264 3.129 20 5 FGBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792871634 723376055 /nfs/dbraw/zinc/37/60/55/723376055.db2.gz KTOWGHUPJSAUOA-PXAZEXFGSA-N 0 3 351.403 3.170 20 5 FGBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000767874439 723637685 /nfs/dbraw/zinc/63/76/85/723637685.db2.gz FSKGUZAVEMBTCZ-CYBMUJFWSA-N 0 3 354.332 3.300 20 5 FGBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000784487343 724857885 /nfs/dbraw/zinc/85/78/85/724857885.db2.gz RBHHUHYJGXZKHD-ZDUSSCGKSA-N 0 3 354.332 3.300 20 5 FGBDHN COC1CCN(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811487789 725368791 /nfs/dbraw/zinc/36/87/91/725368791.db2.gz WDLBTYAKNRZAAX-UHFFFAOYSA-N 0 3 362.257 3.102 20 5 FGBDHN CC(COC(=O)CN(Cc1ccco1)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813100927 726838896 /nfs/dbraw/zinc/83/88/96/726838896.db2.gz YKBOZDMUPVZQNU-LBPRGKRZSA-N 0 3 352.774 3.148 20 5 FGBDHN COc1ccc(-c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s2)c(F)c1 ZINC000813102104 726839082 /nfs/dbraw/zinc/83/90/82/726839082.db2.gz BEEUDAHWTAWFDG-QMMMGPOBSA-N 0 3 354.359 3.088 20 5 FGBDHN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103153 726839394 /nfs/dbraw/zinc/83/93/94/726839394.db2.gz AIWJFCMETKRQBB-QMMMGPOBSA-N 0 3 358.272 3.491 20 5 FGBDHN CC(COC(=O)c1coc(-c2ccc(Br)cc2F)n1)[N+](=O)[O-] ZINC000813108194 726839912 /nfs/dbraw/zinc/83/99/12/726839912.db2.gz CGLNUANEOOHDCQ-ZETCQYMHSA-N 0 3 373.134 3.065 20 5 FGBDHN Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814833270 727004762 /nfs/dbraw/zinc/00/47/62/727004762.db2.gz BPIKZVXYCIIQTG-RYUDHWBXSA-N 0 3 359.348 3.197 20 5 FGBDHN CCCN1C[C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000817409514 727248059 /nfs/dbraw/zinc/24/80/59/727248059.db2.gz DCDAFCKXOIOYMQ-SNVBAGLBSA-N 0 3 360.241 3.250 20 5 FGBDHN Cc1cc([C@H](N)CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000826867496 729417427 /nfs/dbraw/zinc/41/74/27/729417427.db2.gz MFKPBEPLVRWAQM-CQSZACIVSA-N 0 3 362.817 3.000 20 5 FGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN(C)Cc2ccccc2)cc1Cl ZINC000836459364 729956481 /nfs/dbraw/zinc/95/64/81/729956481.db2.gz NCXRZXDUJSGPJU-UHFFFAOYSA-N 0 3 361.829 3.418 20 5 FGBDHN CC([C@H](OC(=O)CCOCC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845875408 730905194 /nfs/dbraw/zinc/90/51/94/730905194.db2.gz MEERXWNLSKALBT-ZANVPECISA-N 0 3 353.268 3.044 20 5 FGBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000862629746 732858379 /nfs/dbraw/zinc/85/83/79/732858379.db2.gz QXIBTIWTXPYJSE-CYBMUJFWSA-N 0 3 351.834 3.385 20 5 FGBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865450647 733203647 /nfs/dbraw/zinc/20/36/47/733203647.db2.gz PGGLLFZBMZTFLD-CYBMUJFWSA-N 0 3 356.417 3.218 20 5 FGBDHN O=[N+]([O-])c1cc2c(cc1CNCCSCCC(F)(F)F)OCCO2 ZINC000865788402 733269809 /nfs/dbraw/zinc/26/98/09/733269809.db2.gz PTRLQQQWHGNPIJ-UHFFFAOYSA-N 0 3 366.361 3.141 20 5 FGBDHN COc1cc(CN[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000872313521 735615404 /nfs/dbraw/zinc/61/54/04/735615404.db2.gz KCKFQUMTNHOKQX-ZBFHGGJFSA-N 0 3 358.341 3.006 20 5 FGBDHN COc1cc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000886344269 739247629 /nfs/dbraw/zinc/24/76/29/739247629.db2.gz ASHMTODJVPDSTC-QGZVFWFLSA-N 0 3 350.415 3.138 20 5 FGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891625299 739922353 /nfs/dbraw/zinc/92/23/53/739922353.db2.gz OTDPCABPQZAEFW-IRXDYDNUSA-N 0 3 352.406 3.439 20 5 FGBDHN C[C@H](N[C@@H]1CCOC12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934389382 761619603 /nfs/dbraw/zinc/61/96/03/761619603.db2.gz DBRSDBVKNGIGJP-XHDPSFHLSA-N 0 3 367.833 3.267 20 5 FGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055748355 221073315 /nfs/dbraw/zinc/07/33/15/221073315.db2.gz IQOPPFMLRDXKET-JHJVBQTASA-N 0 3 353.850 3.344 20 5 FGBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC000069616834 221326792 /nfs/dbraw/zinc/32/67/92/221326792.db2.gz HKMHCZNVKUZNSZ-HNNXBMFYSA-N 0 3 361.829 3.151 20 5 FGBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000026908811 136153384 /nfs/dbraw/zinc/15/33/84/136153384.db2.gz SBKKSAXWHAYUEK-UHFFFAOYSA-N 0 3 368.437 3.297 20 5 FGBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000571206876 505679610 /nfs/dbraw/zinc/67/96/10/505679610.db2.gz GMKUHHNIVDDSQZ-IAOVAPTHSA-N 0 3 361.442 3.249 20 5 FGBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000057615642 493778591 /nfs/dbraw/zinc/77/85/91/493778591.db2.gz HDGYOKXJLXZAOV-IBGZPJMESA-N 0 3 355.438 3.337 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000080903362 493788713 /nfs/dbraw/zinc/78/87/13/493788713.db2.gz RKVNLMOSLRPBHE-ORAYPTAESA-N 0 3 363.458 3.009 20 5 FGBDHN CN(C)[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000057838756 493806011 /nfs/dbraw/zinc/80/60/11/493806011.db2.gz VMVQOZGTRVSOPF-QGZVFWFLSA-N 0 3 353.422 3.356 20 5 FGBDHN Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000029837572 493860475 /nfs/dbraw/zinc/86/04/75/493860475.db2.gz SBWORTPWKHADQQ-UHFFFAOYSA-N 0 3 353.422 3.081 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3CN3CCCCC3)n2)cc1 ZINC000069033069 493909392 /nfs/dbraw/zinc/90/93/92/493909392.db2.gz FZZDAZSNGWSOBZ-QGZVFWFLSA-N 0 3 371.441 3.095 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000060645322 493950263 /nfs/dbraw/zinc/95/02/63/493950263.db2.gz UPZSSWIZNSTDRX-UONOGXRCSA-N 0 3 360.458 3.019 20 5 FGBDHN C[C@H]1CCCN(c2ccc(C(=O)NCCN3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000060665970 493951465 /nfs/dbraw/zinc/95/14/65/493951465.db2.gz PAIZATIKRAPOJY-INIZCTEOSA-N 0 3 374.485 3.047 20 5 FGBDHN CC(C)(C)N1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000063726596 494080695 /nfs/dbraw/zinc/08/06/95/494080695.db2.gz PCWNIJZVLOOJRP-UHFFFAOYSA-N 0 3 374.485 3.141 20 5 FGBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccco1 ZINC000064114296 494104856 /nfs/dbraw/zinc/10/48/56/494104856.db2.gz FBIJCGZNKMKELM-INIZCTEOSA-N 0 3 360.414 3.042 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038856289 494118976 /nfs/dbraw/zinc/11/89/76/494118976.db2.gz MYGOIQZCVLGTSC-MRXNPFEDSA-N 0 3 369.421 3.454 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CCCN(c3nccs3)CC2)cc1 ZINC000064401200 494121094 /nfs/dbraw/zinc/12/10/94/494121094.db2.gz BISGUQWWEKHUGL-UHFFFAOYSA-N 0 3 362.455 3.033 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000072089520 494126779 /nfs/dbraw/zinc/12/67/79/494126779.db2.gz OEIOVNNQHRWTOE-LLVKDONJSA-N 0 3 374.319 3.196 20 5 FGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN(C)C)c1 ZINC000009917517 494136636 /nfs/dbraw/zinc/13/66/36/494136636.db2.gz PADHKKWKYGMDOS-UHFFFAOYSA-N 0 3 359.451 3.308 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](CO)c3cccnc3)o2)cc1 ZINC000577321205 505704712 /nfs/dbraw/zinc/70/47/12/505704712.db2.gz VBCIQBWFVQWGRR-MRXNPFEDSA-N 0 3 353.378 3.116 20 5 FGBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000072673022 494230221 /nfs/dbraw/zinc/23/02/21/494230221.db2.gz GNYPIKWPNSHVNN-HIFRSBDPSA-N 0 3 357.435 3.413 20 5 FGBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065938151 494259329 /nfs/dbraw/zinc/25/93/29/494259329.db2.gz PWZLXIUXPUKSOR-UHFFFAOYSA-N 0 3 363.364 3.077 20 5 FGBDHN CCc1nn(C)c(OC)c1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089212479 494273974 /nfs/dbraw/zinc/27/39/74/494273974.db2.gz NFMCKUQNPKAFSL-QGZVFWFLSA-N 0 3 358.442 3.010 20 5 FGBDHN COc1ccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089952205 494411287 /nfs/dbraw/zinc/41/12/87/494411287.db2.gz XLNWYPNNKYDUHP-CABCVRRESA-N 0 3 352.456 3.090 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1Cc1ccccc1 ZINC000079553113 494479104 /nfs/dbraw/zinc/47/91/04/494479104.db2.gz SAMSBTVLMAURLN-DZGCQCFKSA-N 0 3 359.451 3.439 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000090553264 494481381 /nfs/dbraw/zinc/48/13/81/494481381.db2.gz ADXFOMXSKIBTRU-LJQANCHMSA-N 0 3 353.422 3.299 20 5 FGBDHN Cc1c([C@@H](C)NCc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000090936997 494504737 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3 371.441 3.095 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCCC3)C2)c(Br)c1 ZINC000091453338 494601351 /nfs/dbraw/zinc/60/13/51/494601351.db2.gz JUEMIOQXJCJGAP-CYBMUJFWSA-N 0 3 354.248 3.422 20 5 FGBDHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)on1 ZINC000067965836 494712208 /nfs/dbraw/zinc/71/22/08/494712208.db2.gz REJBAFXCVUOWKO-INIZCTEOSA-N 0 3 358.398 3.365 20 5 FGBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000108683395 494761408 /nfs/dbraw/zinc/76/14/08/494761408.db2.gz NNZAZTWGGBSEGB-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025897676 494786297 /nfs/dbraw/zinc/78/62/97/494786297.db2.gz TYMHRAYPKFNFMY-UHFFFAOYSA-N 0 3 367.449 3.090 20 5 FGBDHN CCOc1ccc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000108919648 494803288 /nfs/dbraw/zinc/80/32/88/494803288.db2.gz FECFNCRWNLXSHT-ZNMIVQPWSA-N 0 3 363.458 3.090 20 5 FGBDHN COc1cc(CN(C)[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 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O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCN(CC4CC4)C3)cs2)c1 ZINC000113339996 495298083 /nfs/dbraw/zinc/29/80/83/495298083.db2.gz ISDXTFHAACFHJL-HNNXBMFYSA-N 0 3 358.467 3.292 20 5 FGBDHN COc1ccc(CN[C@]2(C)CCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000120190746 495324182 /nfs/dbraw/zinc/32/41/82/495324182.db2.gz GWEQEROWHKGDKQ-HXUWFJFHSA-N 0 3 372.421 3.451 20 5 FGBDHN CN(CC1CCN(c2ccncc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000124975157 495373253 /nfs/dbraw/zinc/37/32/53/495373253.db2.gz QVMMQWLQXLEGDZ-UHFFFAOYSA-N 0 3 369.425 3.370 20 5 FGBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000125093812 495389730 /nfs/dbraw/zinc/38/97/30/495389730.db2.gz ZEVGUPOXAUVQCP-UHFFFAOYSA-N 0 3 363.483 3.454 20 5 FGBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136608819 495390223 /nfs/dbraw/zinc/39/02/23/495390223.db2.gz PLEDTXSZSRPFKS-LBPRGKRZSA-N 0 3 353.850 3.489 20 5 FGBDHN COC(=O)[C@](C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000577746795 505784216 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FGBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC(F)F ZINC000179713859 495701889 /nfs/dbraw/zinc/70/18/89/495701889.db2.gz NSIHNAQVIYXEEX-AWEZNQCLSA-N 0 3 367.352 3.099 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000182843337 495724310 /nfs/dbraw/zinc/72/43/10/495724310.db2.gz BUYNFCVLBOWCGA-WCQYABFASA-N 0 3 371.890 3.281 20 5 FGBDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000176707156 495756236 /nfs/dbraw/zinc/75/62/36/495756236.db2.gz HVOPKMAEGVMHAP-BBATYDOGSA-N 0 3 365.345 3.310 20 5 FGBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000151293287 495796407 /nfs/dbraw/zinc/79/64/07/495796407.db2.gz HLSIRCDATHLEEB-IAQYHMDHSA-N 0 3 371.359 3.170 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(N(C)C)c1 ZINC000159766179 495804868 /nfs/dbraw/zinc/80/48/68/495804868.db2.gz VHKQQSZAZUVCML-UHFFFAOYSA-N 0 3 370.453 3.430 20 5 FGBDHN C[C@@H]1C[C@H]1[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000180034239 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3.340 20 5 FGBDHN CCOc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180426472 495992311 /nfs/dbraw/zinc/99/23/11/495992311.db2.gz BRUVPECPBNPRPZ-PBHICJAKSA-N 0 3 360.410 3.084 20 5 FGBDHN Cc1cccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000183721214 496092730 /nfs/dbraw/zinc/09/27/30/496092730.db2.gz KFLAZPXEVMAHLQ-HNNXBMFYSA-N 0 3 353.422 3.452 20 5 FGBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000183778623 496114095 /nfs/dbraw/zinc/11/40/95/496114095.db2.gz CTPKHURDCPASHY-AWEZNQCLSA-N 0 3 359.813 3.423 20 5 FGBDHN C[C@@H](NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000161216404 496129552 /nfs/dbraw/zinc/12/95/52/496129552.db2.gz NTEZIDJAQLLBQJ-MRXNPFEDSA-N 0 3 369.465 3.402 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177615096 496133559 /nfs/dbraw/zinc/13/35/59/496133559.db2.gz ZVCONJSAGLTJDA-QGZVFWFLSA-N 0 3 364.442 3.024 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000156042680 496141812 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CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000181271587 496336052 /nfs/dbraw/zinc/33/60/52/496336052.db2.gz OQKMRJGDLFLMBU-ZDUSSCGKSA-N 0 3 351.472 3.167 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000181545737 496439804 /nfs/dbraw/zinc/43/98/04/496439804.db2.gz PFDGWNLFJOJIFI-QWHCGFSZSA-N 0 3 363.483 3.450 20 5 FGBDHN CN(Cc1ccccc1)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187463939 496451977 /nfs/dbraw/zinc/45/19/77/496451977.db2.gz OGLGHHNFNXCTJY-HXUWFJFHSA-N 0 3 367.449 3.164 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000172833834 496453713 /nfs/dbraw/zinc/45/37/13/496453713.db2.gz RQIPYBPUOQFJQX-GOSISDBHSA-N 0 3 351.406 3.149 20 5 FGBDHN C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000178539864 496492086 /nfs/dbraw/zinc/49/20/86/496492086.db2.gz BRCALWKWODZVKF-DNVCBOLYSA-N 0 3 355.438 3.370 20 5 FGBDHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184731168 496510190 /nfs/dbraw/zinc/51/01/90/496510190.db2.gz SMNUTVRIJPLUQD-CYBMUJFWSA-N 0 3 356.854 3.024 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000178729063 496553357 /nfs/dbraw/zinc/55/33/57/496553357.db2.gz RPIYWHGFMPWNSS-HNNXBMFYSA-N 0 3 373.453 3.395 20 5 FGBDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181821933 496559161 /nfs/dbraw/zinc/55/91/61/496559161.db2.gz GXMVLDAFQBHTBN-KSSFIOAISA-N 0 3 372.421 3.196 20 5 FGBDHN CN(CCCc1cc(-c2ccccc2)no1)CCn1cc([N+](=O)[O-])cn1 ZINC000157895958 496579663 /nfs/dbraw/zinc/57/96/63/496579663.db2.gz CMAXFQUYTXUZNT-UHFFFAOYSA-N 0 3 355.398 3.011 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000164064022 496583958 /nfs/dbraw/zinc/58/39/58/496583958.db2.gz MRTQMPVSSFLGFP-AWEZNQCLSA-N 0 3 353.488 3.413 20 5 FGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1ccncc1 ZINC000153904744 496618960 /nfs/dbraw/zinc/61/89/60/496618960.db2.gz BSGWDKJKQBXIIR-INIZCTEOSA-N 0 3 368.393 3.125 20 5 FGBDHN COc1cc(CN[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000178994831 496638913 /nfs/dbraw/zinc/63/89/13/496638913.db2.gz DPCRUFXIVWUXBC-MRXNPFEDSA-N 0 3 358.394 3.061 20 5 FGBDHN CCOc1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000165675387 496665679 /nfs/dbraw/zinc/66/56/79/496665679.db2.gz LSDIMRIGSKEPLO-KRWDZBQOSA-N 0 3 363.458 3.075 20 5 FGBDHN CSc1cccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000188090313 496678326 /nfs/dbraw/zinc/67/83/26/496678326.db2.gz LKIHJYVONKUGKI-CYBMUJFWSA-N 0 3 351.472 3.167 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176114591 496689092 /nfs/dbraw/zinc/68/90/92/496689092.db2.gz RPDDEHUTWDYLHE-XJKSGUPXSA-N 0 3 359.451 3.439 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000176114625 496690373 /nfs/dbraw/zinc/69/03/73/496690373.db2.gz RPDDEHUTWDYLHE-BBRMVZONSA-N 0 3 359.451 3.439 20 5 FGBDHN CCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182177954 496698926 /nfs/dbraw/zinc/69/89/26/496698926.db2.gz BJSCRCIWDGYZRM-SFHVURJKSA-N 0 3 362.451 3.500 20 5 FGBDHN CS(=O)(=O)CCCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185209403 496703700 /nfs/dbraw/zinc/70/37/00/496703700.db2.gz UJSPDDRKXQCXMF-UHFFFAOYSA-N 0 3 366.439 3.159 20 5 FGBDHN COc1cccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182200232 496705236 /nfs/dbraw/zinc/70/52/36/496705236.db2.gz GUCBFYAPJYIWPU-WMZOPIPTSA-N 0 3 372.421 3.180 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccccc2)CC1 ZINC000182202798 496705653 /nfs/dbraw/zinc/70/56/53/496705653.db2.gz KORDYNXUWZLFQM-GOSISDBHSA-N 0 3 356.422 3.214 20 5 FGBDHN CCc1cc(N2CCC[C@@H](N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)ncn1 ZINC000246990357 496744638 /nfs/dbraw/zinc/74/46/38/496744638.db2.gz KDGGQVRMTSIMBX-RHSMWYFYSA-N 0 3 355.442 3.267 20 5 FGBDHN COc1ccccc1N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580903911 505865041 /nfs/dbraw/zinc/86/50/41/505865041.db2.gz ZFTDZCYBRIDLBR-PBHICJAKSA-N 0 3 353.422 3.459 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273391639 496792698 /nfs/dbraw/zinc/79/26/98/496792698.db2.gz DOKIZGYTZVKGFW-CABCVRRESA-N 0 3 362.474 3.336 20 5 FGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247238958 496812738 /nfs/dbraw/zinc/81/27/38/496812738.db2.gz DGIOINRCYMCOOZ-BLLLJJGKSA-N 0 3 374.466 3.131 20 5 FGBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247331324 496836392 /nfs/dbraw/zinc/83/63/92/496836392.db2.gz ISCUVVIPXUHSIJ-YDHLFZDLSA-N 0 3 351.472 3.017 20 5 FGBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247384301 496847876 /nfs/dbraw/zinc/84/78/76/496847876.db2.gz LQVCAHGGMJTYSB-YOEHRIQHSA-N 0 3 359.451 3.469 20 5 FGBDHN O=[N+]([O-])c1c(F)cccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264255849 496853675 /nfs/dbraw/zinc/85/36/75/496853675.db2.gz LOJMDQGWSUNSKP-UHFFFAOYSA-N 0 3 359.401 3.303 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000195690800 496960305 /nfs/dbraw/zinc/96/03/05/496960305.db2.gz XLIYRDXKJZQNTN-LJQANCHMSA-N 0 3 355.438 3.498 20 5 FGBDHN COc1cccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373155 496985537 /nfs/dbraw/zinc/98/55/37/496985537.db2.gz GUCBFYAPJYIWPU-SJLPKXTDSA-N 0 3 372.421 3.180 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000580982918 505882492 /nfs/dbraw/zinc/88/24/92/505882492.db2.gz OOZWWOSNMXIDHG-UHFFFAOYSA-N 0 3 351.410 3.418 20 5 FGBDHN Cc1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357216 497087654 /nfs/dbraw/zinc/08/76/54/497087654.db2.gz XXVHZBDQKXNNSU-HXUWFJFHSA-N 0 3 369.465 3.284 20 5 FGBDHN COc1ccc([C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000192476442 497127943 /nfs/dbraw/zinc/12/79/43/497127943.db2.gz OERUDHZPCYXOSO-PXNSSMCTSA-N 0 3 372.421 3.084 20 5 FGBDHN CC(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C)CC1 ZINC000265529870 497133699 /nfs/dbraw/zinc/13/36/99/497133699.db2.gz FHLYPYBWQFYBMC-UHFFFAOYSA-N 0 3 367.877 3.370 20 5 FGBDHN CCN1CCC[C@@H]1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236837040 497154068 /nfs/dbraw/zinc/15/40/68/497154068.db2.gz JYMUQGSEYNHITL-CQSZACIVSA-N 0 3 359.426 3.437 20 5 FGBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC(C)C ZINC000189630228 497187826 /nfs/dbraw/zinc/18/78/26/497187826.db2.gz FPUORURIBIZMAJ-HNNXBMFYSA-N 0 3 371.503 3.167 20 5 FGBDHN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192848740 497229304 /nfs/dbraw/zinc/22/93/04/497229304.db2.gz NZNLARUGFDESCG-WOJBJXKFSA-N 0 3 367.449 3.261 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000192949597 497256403 /nfs/dbraw/zinc/25/64/03/497256403.db2.gz QEOXFFMEXJARGV-RDTXWAMCSA-N 0 3 356.401 3.375 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(Cn4cncn4)CC3)o2)c1 ZINC000189970892 497308969 /nfs/dbraw/zinc/30/89/69/497308969.db2.gz IOHDCCXNZYTSKE-UHFFFAOYSA-N 0 3 367.409 3.359 20 5 FGBDHN Cc1cc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000193134311 497310790 /nfs/dbraw/zinc/31/07/90/497310790.db2.gz RZAXNUNRYDDOSE-DOMZBBRYSA-N 0 3 350.440 3.364 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190024892 497329210 /nfs/dbraw/zinc/32/92/10/497329210.db2.gz DLEQQBCOYVFKDT-HOCLYGCPSA-N 0 3 351.472 3.496 20 5 FGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000190032600 497331776 /nfs/dbraw/zinc/33/17/76/497331776.db2.gz GMTBYCFJYQPHTG-HOCLYGCPSA-N 0 3 367.471 3.196 20 5 FGBDHN CN(C)CCc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000275561609 497365239 /nfs/dbraw/zinc/36/52/39/497365239.db2.gz DNPBADFTEZWMGC-UHFFFAOYSA-N 0 3 356.426 3.140 20 5 FGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000279213888 497369274 /nfs/dbraw/zinc/36/92/74/497369274.db2.gz CDMOEPWDZGWXSO-UHFFFAOYSA-N 0 3 373.409 3.186 20 5 FGBDHN C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000193655476 497438451 /nfs/dbraw/zinc/43/84/51/497438451.db2.gz KFAFNSUHLFRWDO-PIGZYNQJSA-N 0 3 363.364 3.294 20 5 FGBDHN COc1ccc(CN2CCNC[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000261858638 497462640 /nfs/dbraw/zinc/46/26/40/497462640.db2.gz WEGFAZMOAONOQV-QGZVFWFLSA-N 0 3 361.829 3.403 20 5 FGBDHN Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193769656 497475967 /nfs/dbraw/zinc/47/59/67/497475967.db2.gz RWQPLEFDVALMNV-KRWDZBQOSA-N 0 3 353.422 3.155 20 5 FGBDHN CC(=O)N1CCC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000279664130 497502851 /nfs/dbraw/zinc/50/28/51/497502851.db2.gz GTBXDNXSUNYKGL-OAHLLOKOSA-N 0 3 357.410 3.203 20 5 FGBDHN CCN(Cc1c[nH]c2ccccc12)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000190497672 497505480 /nfs/dbraw/zinc/50/54/80/497505480.db2.gz ACFBENKBJCOKSF-MRXNPFEDSA-N 0 3 369.421 3.338 20 5 FGBDHN C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000194003044 497544849 /nfs/dbraw/zinc/54/48/49/497544849.db2.gz URUWCUFYWDJEIW-GWCFXTLKSA-N 0 3 370.247 3.464 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267455245 497556777 /nfs/dbraw/zinc/55/67/77/497556777.db2.gz QDJJNBWWNZJMFA-OXQOHEQNSA-N 0 3 367.449 3.164 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000267577751 497581478 /nfs/dbraw/zinc/58/14/78/497581478.db2.gz BJFUOPVDUBNLNW-WBVHZDCISA-N 0 3 360.458 3.234 20 5 FGBDHN COc1cc(CN[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272347699 497603592 /nfs/dbraw/zinc/60/35/92/497603592.db2.gz CSDXZDWPHYLDHP-GFCCVEGCSA-N 0 3 374.384 3.295 20 5 FGBDHN COc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273006516 497783554 /nfs/dbraw/zinc/78/35/54/497783554.db2.gz BBQIOEGEDQHGJE-RDJZCZTQSA-N 0 3 372.368 3.252 20 5 FGBDHN C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000301092701 497948011 /nfs/dbraw/zinc/94/80/11/497948011.db2.gz JPRJQOQREZJKLK-ZIAGYGMSSA-N 0 3 360.458 3.019 20 5 FGBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301129039 497965396 /nfs/dbraw/zinc/96/53/96/497965396.db2.gz YOYCGPHCFPUEFO-MRXNPFEDSA-N 0 3 368.437 3.031 20 5 FGBDHN Cn1cc(CN2CCC[C@@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239348 498030769 /nfs/dbraw/zinc/03/07/69/498030769.db2.gz SKMLBNHZWLWDPF-QZTJIDSGSA-N 0 3 356.426 3.139 20 5 FGBDHN Cc1ccnc(NCCCN2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304941 498049247 /nfs/dbraw/zinc/04/92/47/498049247.db2.gz TYFRTDMIUQEPSM-SFHVURJKSA-N 0 3 369.469 3.089 20 5 FGBDHN O=[N+]([O-])c1c(NC[C@H]2CCCN2Cc2ccccc2)nc2sccn21 ZINC000301310367 498050939 /nfs/dbraw/zinc/05/09/39/498050939.db2.gz ZJTFMVSRKRYBMD-CQSZACIVSA-N 0 3 357.439 3.381 20 5 FGBDHN COCCCOc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285433370 498083012 /nfs/dbraw/zinc/08/30/12/498083012.db2.gz YSFZOTTVKADVQP-CQSZACIVSA-N 0 3 359.426 3.443 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000281269149 498083174 /nfs/dbraw/zinc/08/31/74/498083174.db2.gz AZMBFGHKLZZKJV-OAHLLOKOSA-N 0 3 362.430 3.086 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)sc(=O)n2C ZINC000581396445 505978429 /nfs/dbraw/zinc/97/84/29/505978429.db2.gz CECJYTZZRBVRTN-UHFFFAOYSA-N 0 3 357.435 3.183 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000292670258 498102985 /nfs/dbraw/zinc/10/29/85/498102985.db2.gz JBJRMFBIHCKSKT-RBUKOAKNSA-N 0 3 356.422 3.122 20 5 FGBDHN Cc1cc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301526034 498148394 /nfs/dbraw/zinc/14/83/94/498148394.db2.gz GBGICUVMMFMHFY-HZPDHXFCSA-N 0 3 362.474 3.014 20 5 FGBDHN Cc1ccnc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301585564 498174963 /nfs/dbraw/zinc/17/49/63/498174963.db2.gz VYTOUFZZJDULNA-IYBDPMFKSA-N 0 3 362.474 3.014 20 5 FGBDHN CNC(=O)c1ccc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620305 498191338 /nfs/dbraw/zinc/19/13/38/498191338.db2.gz MJJHPOKRLRASIJ-PBHICJAKSA-N 0 3 368.437 3.029 20 5 FGBDHN Cc1c(NC(=O)CCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590252 498208163 /nfs/dbraw/zinc/20/81/63/498208163.db2.gz PQTJFGYXYKQNKB-PKOBYXMFSA-N 0 3 373.453 3.265 20 5 FGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301742147 498247030 /nfs/dbraw/zinc/24/70/30/498247030.db2.gz YMBCTPOWWQKTIV-CYBMUJFWSA-N 0 3 359.348 3.279 20 5 FGBDHN O=C(CN[C@H]1CCCC12CCOCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281880840 498301860 /nfs/dbraw/zinc/30/18/60/498301860.db2.gz AHNDFTSIPSVUKY-HNNXBMFYSA-N 0 3 367.833 3.126 20 5 FGBDHN CCc1nn(C)c(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000301919980 498327661 /nfs/dbraw/zinc/32/76/61/498327661.db2.gz CLCFYTQYTOELPS-PBHICJAKSA-N 0 3 357.458 3.213 20 5 FGBDHN O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365238076 498367781 /nfs/dbraw/zinc/36/77/81/498367781.db2.gz FZBKIIOXINUJEI-INIZCTEOSA-N 0 3 369.425 3.024 20 5 FGBDHN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289970556 498376349 /nfs/dbraw/zinc/37/63/49/498376349.db2.gz XBARKSDRPKJIDM-OAHLLOKOSA-N 0 3 360.414 3.424 20 5 FGBDHN CN1CCN(CCC(C)(C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302291186 498465347 /nfs/dbraw/zinc/46/53/47/498465347.db2.gz WQCYOXANTHCTHA-UHFFFAOYSA-N 0 3 374.407 3.442 20 5 FGBDHN CC(C)(C)c1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000331876332 498484624 /nfs/dbraw/zinc/48/46/24/498484624.db2.gz CCLSRIOZIDPBGZ-HNNXBMFYSA-N 0 3 358.442 3.370 20 5 FGBDHN Cc1ccc(CN[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000362362453 498503298 /nfs/dbraw/zinc/50/32/98/498503298.db2.gz MTNRQZFJJIOBOH-KBXCAEBGSA-N 0 3 359.451 3.416 20 5 FGBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 ZINC000294228940 498626820 /nfs/dbraw/zinc/62/68/20/498626820.db2.gz RJXUPYOAICHTRV-INIZCTEOSA-N 0 3 371.359 3.172 20 5 FGBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000303421091 498671709 /nfs/dbraw/zinc/67/17/09/498671709.db2.gz AMJDGWVIWRVNEH-UHFFFAOYSA-N 0 3 363.483 3.076 20 5 FGBDHN CC1CCC(N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000332406144 498678594 /nfs/dbraw/zinc/67/85/94/498678594.db2.gz XXLLYDPIYRRRQK-UHFFFAOYSA-N 0 3 360.458 3.174 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000287325272 498716462 /nfs/dbraw/zinc/71/64/62/498716462.db2.gz WQRNJDNTTULLKF-UKRRQHHQSA-N 0 3 362.430 3.084 20 5 FGBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000303944276 498730304 /nfs/dbraw/zinc/73/03/04/498730304.db2.gz ZBANCYZXVKSAFX-IRXDYDNUSA-N 0 3 363.458 3.109 20 5 FGBDHN Cc1cccc(CN2CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000363322201 498761461 /nfs/dbraw/zinc/76/14/61/498761461.db2.gz BFQGEDDIBAJWAE-UHFFFAOYSA-N 0 3 367.449 3.227 20 5 FGBDHN COc1cc(OC)cc(OCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000576172656 506093951 /nfs/dbraw/zinc/09/39/51/506093951.db2.gz STDRHEOETQYZKA-SFHVURJKSA-N 0 3 358.394 3.268 20 5 FGBDHN CCOC(=O)c1cnn(C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000294895139 498841414 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ZINC000367701454 499226504 /nfs/dbraw/zinc/22/65/04/499226504.db2.gz KWPAZONQFSDRMM-PMACEKPBSA-N 0 3 356.422 3.002 20 5 FGBDHN CC(C)N1CCc2nc(CNCCc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000368173918 499271501 /nfs/dbraw/zinc/27/15/01/499271501.db2.gz OKZVJKOPMHDFRB-UHFFFAOYSA-N 0 3 360.483 3.150 20 5 FGBDHN COCCn1cc2c(n1)[C@@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000368186723 499272304 /nfs/dbraw/zinc/27/23/04/499272304.db2.gz ALSPBPODSAZCHM-QAPCUYQASA-N 0 3 372.469 3.426 20 5 FGBDHN Cc1cccc(C(=O)Nc2ccnc(OC3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000371427008 499325383 /nfs/dbraw/zinc/32/53/83/499325383.db2.gz ZVFCVGHXUMWDNQ-UHFFFAOYSA-N 0 3 370.409 3.024 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368805751 499334396 /nfs/dbraw/zinc/33/43/96/499334396.db2.gz NZXSLBNTKPPUAY-UHFFFAOYSA-N 0 3 359.451 3.359 20 5 FGBDHN O=C(NC1CCN(Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000368806871 499334829 /nfs/dbraw/zinc/33/48/29/499334829.db2.gz UAWZIXHSQQXFBM-UHFFFAOYSA-N 0 3 363.414 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/nfs/dbraw/zinc/11/01/03/501110103.db2.gz IHHCNDJCUNVNFI-AWEZNQCLSA-N 0 3 351.450 3.141 20 5 FGBDHN Cc1cccc2c1CCC[C@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067808 506238143 /nfs/dbraw/zinc/23/81/43/506238143.db2.gz BBUROJCNVGCFDA-CRAIPNDOSA-N 0 3 356.422 3.310 20 5 FGBDHN CCCCO[C@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000450964687 501235456 /nfs/dbraw/zinc/23/54/56/501235456.db2.gz DKYMARVQPCBVKR-CVEARBPZSA-N 0 3 363.458 3.415 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451353051 501273120 /nfs/dbraw/zinc/27/31/20/501273120.db2.gz IUIBDCBGANTTKS-KRWDZBQOSA-N 0 3 365.792 3.290 20 5 FGBDHN C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000455338460 501275645 /nfs/dbraw/zinc/27/56/45/501275645.db2.gz SSIAZQISDLGSPL-GFCCVEGCSA-N 0 3 350.394 3.072 20 5 FGBDHN Cc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000458195570 501389672 /nfs/dbraw/zinc/38/96/72/501389672.db2.gz HQPNAYJOSFLCEE-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN Cc1sc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000458311087 501418032 /nfs/dbraw/zinc/41/80/32/501418032.db2.gz HFZHHQQTFZCJCH-UHFFFAOYSA-N 0 3 367.402 3.297 20 5 FGBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[C@@H](C)C1 ZINC000452073139 501429196 /nfs/dbraw/zinc/42/91/96/501429196.db2.gz UUSXMYRDPOEPIW-FRRDWIJNSA-N 0 3 363.414 3.066 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[C@]3(F)c3ccccc3)CC2)cn1 ZINC000602692673 506264804 /nfs/dbraw/zinc/26/48/04/506264804.db2.gz ABMCGMZNQGUKBG-MJGOQNOKSA-N 0 3 356.401 3.186 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000457097186 501649834 /nfs/dbraw/zinc/64/98/34/501649834.db2.gz RQVASMRCQZDPJG-CYBMUJFWSA-N 0 3 359.348 3.168 20 5 FGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457114199 501652651 /nfs/dbraw/zinc/65/26/51/501652651.db2.gz KKBVFWYROOHBKX-OAHLLOKOSA-N 0 3 374.466 3.273 20 5 FGBDHN COc1cc(CN[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000459582682 501681042 /nfs/dbraw/zinc/68/10/42/501681042.db2.gz FPPDVRGSXMGSME-SJLPKXTDSA-N 0 3 372.421 3.185 20 5 FGBDHN CC1(C)Cc2ccsc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459583367 501681333 /nfs/dbraw/zinc/68/13/33/501681333.db2.gz PCTQKXPPMWCFSZ-AWEZNQCLSA-N 0 3 362.451 3.233 20 5 FGBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCCCC3)[C@H]2c2ccccc2)c1 ZINC000459760221 501710214 /nfs/dbraw/zinc/71/02/14/501710214.db2.gz WPYFPYFTZYOBEG-RTBURBONSA-N 0 3 370.453 3.160 20 5 FGBDHN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H](c1ccccc1)N(C)C ZINC000474178440 501732181 /nfs/dbraw/zinc/73/21/81/501732181.db2.gz PVQTXAIDFGPFTI-DJJJIMSYSA-N 0 3 366.421 3.497 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218182 501741927 /nfs/dbraw/zinc/74/19/27/501741927.db2.gz NWXQIFPFOYHEEG-STQMWFEESA-N 0 3 368.865 3.168 20 5 FGBDHN Cc1c(CN[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000477736411 501772927 /nfs/dbraw/zinc/77/29/27/501772927.db2.gz ABTVGOLBLJMTDA-LAUBAEHRSA-N 0 3 369.465 3.455 20 5 FGBDHN COc1cc(NCCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000467781657 501871005 /nfs/dbraw/zinc/87/10/05/501871005.db2.gz BLPOTSJMMXZMSV-UHFFFAOYSA-N 0 3 351.353 3.426 20 5 FGBDHN CCO[C@@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000482141694 501987621 /nfs/dbraw/zinc/98/76/21/501987621.db2.gz KSJNRDGIHSNYJL-DLBZAZTESA-N 0 3 363.458 3.131 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468470122 502068326 /nfs/dbraw/zinc/06/83/26/502068326.db2.gz OUIXUIGARFNABG-AWEZNQCLSA-N 0 3 371.384 3.046 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000468488425 502078537 /nfs/dbraw/zinc/07/85/37/502078537.db2.gz PMFJACSORRMKHJ-SFHVURJKSA-N 0 3 374.485 3.045 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(N2CCOCC2)n1 ZINC000468603446 502120518 /nfs/dbraw/zinc/12/05/18/502120518.db2.gz SXAHFJYDKOCSLQ-FOWTUZBSSA-N 0 3 368.437 3.020 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000475512058 502198351 /nfs/dbraw/zinc/19/83/51/502198351.db2.gz VBIBOAZAFKBLSO-HZPDHXFCSA-N 0 3 367.449 3.436 20 5 FGBDHN COc1c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000475609444 502227200 /nfs/dbraw/zinc/22/72/00/502227200.db2.gz RECLQDUCUDNGPN-AWEZNQCLSA-N 0 3 371.437 3.463 20 5 FGBDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000465412603 502255219 /nfs/dbraw/zinc/25/52/19/502255219.db2.gz QXHFNXMLOUUIEM-RMLVOYDJSA-N 0 3 369.849 3.368 20 5 FGBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])cc2Br)CCSC1 ZINC000487144079 502372184 /nfs/dbraw/zinc/37/21/84/502372184.db2.gz ZLQKOTLWPURXKC-ZDUSSCGKSA-N 0 3 360.277 3.207 20 5 FGBDHN C[C@]1(c2ccc(F)cc2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428195 502388524 /nfs/dbraw/zinc/38/85/24/502388524.db2.gz CBBVYIJDNNWGEF-PXNSSMCTSA-N 0 3 374.412 3.137 20 5 FGBDHN C[C@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462496184 502464468 /nfs/dbraw/zinc/46/44/68/502464468.db2.gz SPVRVOODSQSQGC-HNNXBMFYSA-N 0 3 356.426 3.099 20 5 FGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073966 502619349 /nfs/dbraw/zinc/61/93/49/502619349.db2.gz MQPARTKIHCEQRO-GJZGRUSLSA-N 0 3 362.474 3.250 20 5 FGBDHN C[C@@H](NC[C@H](C)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000480613502 502621221 /nfs/dbraw/zinc/62/12/21/502621221.db2.gz JPKRNXUZZLPFIX-ZWKOTPCHSA-N 0 3 368.481 3.456 20 5 FGBDHN C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000470139268 502674889 /nfs/dbraw/zinc/67/48/89/502674889.db2.gz ZYQPINPEBYIKHC-CYBMUJFWSA-N 0 3 360.389 3.376 20 5 FGBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CC(N2CCCCC2)C1 ZINC000480812133 502677271 /nfs/dbraw/zinc/67/72/71/502677271.db2.gz LSMZMNNFEXGDRX-UHFFFAOYSA-N 0 3 355.236 3.181 20 5 FGBDHN CNC(=O)c1ccc(CN(C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000470172763 502693493 /nfs/dbraw/zinc/69/34/93/502693493.db2.gz BNKTUPPFEPIWCK-PTNGSMBKSA-N 0 3 353.422 3.490 20 5 FGBDHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000480970172 502716455 /nfs/dbraw/zinc/71/64/55/502716455.db2.gz KATOKZRHHLPGAF-FZKQIMNGSA-N 0 3 374.416 3.397 20 5 FGBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000470294673 502727965 /nfs/dbraw/zinc/72/79/65/502727965.db2.gz FFXPWJBBUWCPPA-UHFFFAOYSA-N 0 3 371.384 3.048 20 5 FGBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000588766637 506332468 /nfs/dbraw/zinc/33/24/68/506332468.db2.gz NXDWGBUNHRGLGT-SWLSCSKDSA-N 0 3 361.398 3.056 20 5 FGBDHN Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1[N+](=O)[O-] ZINC000488702039 502785337 /nfs/dbraw/zinc/78/53/37/502785337.db2.gz LJRYXVQCMWJUDF-UHFFFAOYSA-N 0 3 369.421 3.112 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593014507 506336850 /nfs/dbraw/zinc/33/68/50/506336850.db2.gz ZUCXVJGRYATTLR-GHMZBOCLSA-N 0 3 362.304 3.290 20 5 FGBDHN CCCN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000513595803 502975003 /nfs/dbraw/zinc/97/50/03/502975003.db2.gz SLGSEZSIAIJNQW-MRXNPFEDSA-N 0 3 364.833 3.389 20 5 FGBDHN Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000501711523 503065792 /nfs/dbraw/zinc/06/57/92/503065792.db2.gz SESKVCLZCNXVKL-UHFFFAOYSA-N 0 3 368.437 3.473 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000510405959 503107185 /nfs/dbraw/zinc/10/71/85/503107185.db2.gz JHTBPHHFXQMIGS-INIZCTEOSA-N 0 3 352.394 3.270 20 5 FGBDHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501955242 503116095 /nfs/dbraw/zinc/11/60/95/503116095.db2.gz KSTNDTYKGVJGPB-ZBFHGGJFSA-N 0 3 356.426 3.221 20 5 FGBDHN Cc1cc(N2CCC(C)(N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599160972 506352906 /nfs/dbraw/zinc/35/29/06/506352906.db2.gz RHBKCEOQGVRCHE-UHFFFAOYSA-N 0 3 370.453 3.143 20 5 FGBDHN Cc1ccccc1C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000593040175 506353832 /nfs/dbraw/zinc/35/38/32/506353832.db2.gz PBBILCJDVUKCEB-MRXNPFEDSA-N 0 3 356.422 3.312 20 5 FGBDHN CCOC(=O)Cc1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164746 506355183 /nfs/dbraw/zinc/35/51/83/506355183.db2.gz LPLYDISOKBDBPY-INIZCTEOSA-N 0 3 361.442 3.129 20 5 FGBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(CN2CCCC2)c1 ZINC000498569779 503215537 /nfs/dbraw/zinc/21/55/37/503215537.db2.gz JLZLZCYZCDKLKX-UHFFFAOYSA-N 0 3 368.437 3.033 20 5 FGBDHN Cc1ccccc1[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507163902 503242271 /nfs/dbraw/zinc/24/22/71/503242271.db2.gz HNYSICKJEZCYGP-WMZOPIPTSA-N 0 3 356.422 3.132 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511423217 503318776 /nfs/dbraw/zinc/31/87/76/503318776.db2.gz XNIGZSVHWBKZMK-KRWDZBQOSA-N 0 3 362.474 3.043 20 5 FGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511441930 503323371 /nfs/dbraw/zinc/32/33/71/503323371.db2.gz VZOBZYKHBGPBRS-IYBDPMFKSA-N 0 3 362.474 3.042 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503380255 503397923 /nfs/dbraw/zinc/39/79/23/503397923.db2.gz WAEMESJXCRQPMT-MRXNPFEDSA-N 0 3 370.453 3.386 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503380253 503398150 /nfs/dbraw/zinc/39/81/50/503398150.db2.gz WAEMESJXCRQPMT-INIZCTEOSA-N 0 3 370.453 3.386 20 5 FGBDHN CC[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000493340860 503421289 /nfs/dbraw/zinc/42/12/89/503421289.db2.gz WVRAZKAXNMGDRX-MSOLQXFVSA-N 0 3 360.458 3.316 20 5 FGBDHN CC[C@H]1CCCCN1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000499714478 503464831 /nfs/dbraw/zinc/46/48/31/503464831.db2.gz OKZFPKGKEBPNSN-AWEZNQCLSA-N 0 3 351.472 3.068 20 5 FGBDHN COc1cc(NCCN(C)Cc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC000508263438 503464981 /nfs/dbraw/zinc/46/49/81/503464981.db2.gz MQKNMOFWODPFJN-UHFFFAOYSA-N 0 3 351.353 3.426 20 5 FGBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCC2(CCCCC2)CC1 ZINC000508334718 503477621 /nfs/dbraw/zinc/47/76/21/503477621.db2.gz SGZIFLFHMZFSCI-UHFFFAOYSA-N 0 3 359.470 3.300 20 5 FGBDHN COC(=O)[C@]1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000504568918 503590554 /nfs/dbraw/zinc/59/05/54/503590554.db2.gz WMRLSJCNLBNMFY-BFUOFWGJSA-N 0 3 358.394 3.486 20 5 FGBDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000540153219 503691076 /nfs/dbraw/zinc/69/10/76/503691076.db2.gz AVEZJBLEVFTRNV-ZDUSSCGKSA-N 0 3 357.410 3.455 20 5 FGBDHN C[C@H](CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000536836244 503736424 /nfs/dbraw/zinc/73/64/24/503736424.db2.gz WCBXNGMAWIRJNS-NEPJUHHUSA-N 0 3 368.480 3.407 20 5 FGBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000533222296 503767334 /nfs/dbraw/zinc/76/73/34/503767334.db2.gz PKECMFLROUEGSY-UHFFFAOYSA-N 0 3 359.357 3.164 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCNC[C@H]3C(F)F)s2)cc1 ZINC000517567136 503773844 /nfs/dbraw/zinc/77/38/44/503773844.db2.gz BIUQDPZPIRFQPU-AWEZNQCLSA-N 0 3 353.394 3.362 20 5 FGBDHN Cc1ccccc1OCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378788 503823607 /nfs/dbraw/zinc/82/36/07/503823607.db2.gz QZWZCXVRSVSOKW-MRXNPFEDSA-N 0 3 356.426 3.254 20 5 FGBDHN Cc1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C2 ZINC000543597331 503825026 /nfs/dbraw/zinc/82/50/26/503825026.db2.gz KNPWGQGOVYTHSR-LIRRHRJNSA-N 0 3 374.462 3.200 20 5 FGBDHN Cc1noc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000540601311 503830312 /nfs/dbraw/zinc/83/03/12/503830312.db2.gz DIQISJFMMNMROA-UHFFFAOYSA-N 0 3 359.411 3.132 20 5 FGBDHN CSc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000517941612 503871778 /nfs/dbraw/zinc/87/17/78/503871778.db2.gz WBWDYEYPUYEKNG-MRXNPFEDSA-N 0 3 357.435 3.015 20 5 FGBDHN Cn1cc(CNC[C@H]2Cc3ccccc3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537306737 503874790 /nfs/dbraw/zinc/87/47/90/503874790.db2.gz QUBCBMAQWURYIO-GOSISDBHSA-N 0 3 364.405 3.089 20 5 FGBDHN COc1cc(CN(C)C2CC(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546961866 503938347 /nfs/dbraw/zinc/93/83/47/503938347.db2.gz IYPNIZNATFZAPP-UHFFFAOYSA-N 0 3 372.421 3.138 20 5 FGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000533861625 503973364 /nfs/dbraw/zinc/97/33/64/503973364.db2.gz XHKMKNGERDWVEK-INIZCTEOSA-N 0 3 366.421 3.488 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000518458421 503991996 /nfs/dbraw/zinc/99/19/96/503991996.db2.gz NHNSGHLWUIQQHF-DNVCBOLYSA-N 0 3 355.438 3.426 20 5 FGBDHN C[C@H](C[S@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000544168433 504033144 /nfs/dbraw/zinc/03/31/44/504033144.db2.gz CWTUQQHKVYOSTM-YDBLSZJJSA-N 0 3 366.414 3.383 20 5 FGBDHN O=[N+]([O-])c1cccc(C=Cc2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000547262252 504040138 /nfs/dbraw/zinc/04/01/38/504040138.db2.gz TYPPPYVZOUYUPI-VMZPBXKQSA-N 0 3 353.382 3.004 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000537943120 504090779 /nfs/dbraw/zinc/09/07/79/504090779.db2.gz CGMTZSVSNGZRSA-HUUCEWRRSA-N 0 3 366.421 3.352 20 5 FGBDHN C[C@]1(c2ccccc2)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 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355.822 3.124 20 5 FGBDHN COc1c([O-])ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000894038909 742230368 /nfs/dbraw/zinc/23/03/68/742230368.db2.gz OYBPZENKMLFXEQ-UHFFFAOYSA-N 0 3 352.431 3.382 20 5 FGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900986241 743209811 /nfs/dbraw/zinc/20/98/11/743209811.db2.gz ZVYHZPDZKYQJTM-NEPJUHHUSA-N 0 3 355.797 3.086 20 5 FGBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901011493 743214308 /nfs/dbraw/zinc/21/43/08/743214308.db2.gz AGXFRZRNPXMMBF-UHFFFAOYSA-N 0 3 369.780 3.184 20 5 FGBDHN C[C@@H](N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1[N+](=O)[O-] ZINC000901727186 743628290 /nfs/dbraw/zinc/62/82/90/743628290.db2.gz DJIOZMGANFJRNI-GHMZBOCLSA-N 0 3 365.231 3.219 20 5 FGBDHN CC(C)COC[C@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102424222 257350910 /nfs/dbraw/zinc/35/09/10/257350910.db2.gz MWECPNTYXQIFOT-CQSZACIVSA-N 0 3 364.467 3.446 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000540605963 503831999 /nfs/dbraw/zinc/83/19/99/503831999.db2.gz IHICJCWIXTXDEA-CYBMUJFWSA-N 0 3 361.471 3.111 20 5 FGBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000567964381 505584311 /nfs/dbraw/zinc/58/43/11/505584311.db2.gz MQRNBCLHXGCNJW-UHFFFAOYSA-N 0 3 368.437 3.487 20 5 FGBDHN CCN1C[C@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000573961786 505660790 /nfs/dbraw/zinc/66/07/90/505660790.db2.gz UGRCRNRUBAUFFZ-RYUDHWBXSA-N 0 3 373.400 3.119 20 5 FGBDHN CN(C[C@@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000580138102 505685136 /nfs/dbraw/zinc/68/51/36/505685136.db2.gz CBKQGNQSTUNXIL-GOSISDBHSA-N 0 3 356.422 3.020 20 5 FGBDHN Cn1cc(CNC[C@@H](O)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069170502 493932328 /nfs/dbraw/zinc/93/23/28/493932328.db2.gz XUFWVHVSLZOOGS-GOSISDBHSA-N 0 3 358.442 3.026 20 5 FGBDHN CN(C)Cc1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000031413477 493943156 /nfs/dbraw/zinc/94/31/56/493943156.db2.gz MSWIQCRUNGMVCC-UHFFFAOYSA-N 0 3 365.393 3.094 20 5 FGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000577291259 505701363 /nfs/dbraw/zinc/70/13/63/505701363.db2.gz DSJAABAETUNIOS-GOSISDBHSA-N 0 3 371.485 3.468 20 5 FGBDHN CSc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000010138545 494144893 /nfs/dbraw/zinc/14/48/93/494144893.db2.gz AZKPTMIEMYVZQM-INIZCTEOSA-N 0 3 373.478 3.219 20 5 FGBDHN CN(C)CCN(Cc1ccccc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087066454 494169720 /nfs/dbraw/zinc/16/97/20/494169720.db2.gz CNAGHKGRDMWDAH-UHFFFAOYSA-N 0 3 355.438 3.118 20 5 FGBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000053968127 494178995 /nfs/dbraw/zinc/17/89/95/494178995.db2.gz PTMVXOLUXIEAGS-UHFFFAOYSA-N 0 3 368.437 3.001 20 5 FGBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087271494 494188759 /nfs/dbraw/zinc/18/87/59/494188759.db2.gz TXKWEXXIYXVJBN-GOSISDBHSA-N 0 3 353.422 3.047 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065939376 494258815 /nfs/dbraw/zinc/25/88/15/494258815.db2.gz XESRWWHLCXWYJX-UHFFFAOYSA-N 0 3 359.401 3.246 20 5 FGBDHN C[C@H](NC(=O)NCCN(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000054761411 494268390 /nfs/dbraw/zinc/26/83/90/494268390.db2.gz MAFWEBKOHRIYGY-HNNXBMFYSA-N 0 3 356.426 3.087 20 5 FGBDHN COC(=O)[C@H](C)[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000089140992 494268803 /nfs/dbraw/zinc/26/88/03/494268803.db2.gz NCVNBDDZHONGLG-RDTXWAMCSA-N 0 3 358.394 3.114 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066946218 494442795 /nfs/dbraw/zinc/44/27/95/494442795.db2.gz JAGFZVFUZSRJHZ-UHFFFAOYSA-N 0 3 369.465 3.160 20 5 FGBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000079553904 494479213 /nfs/dbraw/zinc/47/92/13/494479213.db2.gz WAIDJEUYXMYCOD-LPHOPBHVSA-N 0 3 367.449 3.307 20 5 FGBDHN Cc1c([C@@H](C)N[C@H](C)Cn2ncc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000090938073 494505707 /nfs/dbraw/zinc/50/57/07/494505707.db2.gz YPTDDUYGCOUFMM-UKRRQHHQSA-N 0 3 366.421 3.352 20 5 FGBDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000079686372 494507358 /nfs/dbraw/zinc/50/73/58/494507358.db2.gz PHKZLDRRGZRNCA-WBVHZDCISA-N 0 3 353.422 3.378 20 5 FGBDHN C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000046408580 494525385 /nfs/dbraw/zinc/52/53/85/494525385.db2.gz JTCPXYLJLYOQFE-JKSUJKDBSA-N 0 3 374.485 3.045 20 5 FGBDHN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000079842689 494534900 /nfs/dbraw/zinc/53/49/00/494534900.db2.gz OOIUHGCMZREYTQ-KDOFPFPSSA-N 0 3 356.426 3.258 20 5 FGBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCC1 ZINC000067706389 494619739 /nfs/dbraw/zinc/61/97/39/494619739.db2.gz CRMDKXUCNHDDFB-INIZCTEOSA-N 0 3 374.466 3.022 20 5 FGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000092472120 494638078 /nfs/dbraw/zinc/63/80/78/494638078.db2.gz AAAGVJCAPIQAQY-SSVWKNEZSA-N 0 3 356.422 3.118 20 5 FGBDHN NC(=O)CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092660265 494701445 /nfs/dbraw/zinc/70/14/45/494701445.db2.gz BUWMRAIQJDICMO-AWEZNQCLSA-N 0 3 357.410 3.332 20 5 FGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])c1ccco1 ZINC000580351544 505738508 /nfs/dbraw/zinc/73/85/08/505738508.db2.gz FZLAKRHPIAUWBW-OCCSQVGLSA-N 0 3 361.398 3.056 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccncc1 ZINC000091986072 494743894 /nfs/dbraw/zinc/74/38/94/494743894.db2.gz AHPAUZDMYPPRFC-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN CC(C)c1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079428 494782792 /nfs/dbraw/zinc/78/27/92/494782792.db2.gz PQTLYIXMGUHFRE-INIZCTEOSA-N 0 3 361.486 3.403 20 5 FGBDHN C[C@@H]1CCCCN1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866086 494784022 /nfs/dbraw/zinc/78/40/22/494784022.db2.gz RJMPXVMTRJPTRL-LLVKDONJSA-N 0 3 372.372 3.192 20 5 FGBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC1CCN(c2ccncc2)CC1 ZINC000093191502 494839984 /nfs/dbraw/zinc/83/99/84/494839984.db2.gz COUXFXKVTSETIQ-AATRIKPKSA-N 0 3 366.421 3.036 20 5 FGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1cccnc1 ZINC000093235307 494848380 /nfs/dbraw/zinc/84/83/80/494848380.db2.gz AAUZAOLDPMPKNQ-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN Cc1cnc(CCN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093773457 494920861 /nfs/dbraw/zinc/92/08/61/494920861.db2.gz UKGIAMIFCZJRPE-UHFFFAOYSA-N 0 3 371.466 3.435 20 5 FGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109886615 494929519 /nfs/dbraw/zinc/92/95/19/494929519.db2.gz DOMMFXJFTRQULN-HNNXBMFYSA-N 0 3 358.442 3.461 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000122740720 495023544 /nfs/dbraw/zinc/02/35/44/495023544.db2.gz WOISFFKCBAABMB-WFASDCNBSA-N 0 3 374.466 3.273 20 5 FGBDHN CCO[C@@H]1C[C@H]1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000577580881 505757746 /nfs/dbraw/zinc/75/77/46/505757746.db2.gz PWIATDMIGJZEIM-IEBWSBKVSA-N 0 3 372.421 3.449 20 5 FGBDHN C[C@H](CCS(C)(=O)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000134592199 495172518 /nfs/dbraw/zinc/17/25/18/495172518.db2.gz GBLHGURREFBITF-GFCCVEGCSA-N 0 3 368.480 3.236 20 5 FGBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@H](CCCN4C4CC4)C3)nc2c1 ZINC000134927555 495224556 /nfs/dbraw/zinc/22/45/56/495224556.db2.gz JCFDHCUQUIFYDH-DYVFJYSZSA-N 0 3 356.426 3.185 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000119751663 495233315 /nfs/dbraw/zinc/23/33/15/495233315.db2.gz DCHWMYWOITZGLD-JXFKEZNVSA-N 0 3 367.449 3.164 20 5 FGBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000119874187 495259340 /nfs/dbraw/zinc/25/93/40/495259340.db2.gz VKOFBXDGEBUPRG-KRWDZBQOSA-N 0 3 368.437 3.031 20 5 FGBDHN O=c1cc(CN2CCC[C@H](Cn3ccnn3)C2)c2c(ccc3ccccc32)o1 ZINC000119903696 495266295 /nfs/dbraw/zinc/26/62/95/495266295.db2.gz SXKIEWIIHKMGNR-INIZCTEOSA-N 0 3 374.444 3.450 20 5 FGBDHN COc1ccc(CN(CCCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000114469235 495379523 /nfs/dbraw/zinc/37/95/23/495379523.db2.gz ZHBMFIRCPLBZNV-SFHVURJKSA-N 0 3 356.422 3.475 20 5 FGBDHN CC(C)[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120519400 495397211 /nfs/dbraw/zinc/39/72/11/495397211.db2.gz FQYZDCUFPWQWQY-DLBZAZTESA-N 0 3 354.472 3.173 20 5 FGBDHN COc1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000136740094 495398632 /nfs/dbraw/zinc/39/86/32/495398632.db2.gz OGMNPGTYNMWEDU-CQSZACIVSA-N 0 3 350.415 3.281 20 5 FGBDHN C[C@@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000114771614 495423061 /nfs/dbraw/zinc/42/30/61/495423061.db2.gz HKQGNBJMFUSINC-SNVBAGLBSA-N 0 3 369.215 3.478 20 5 FGBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1SC ZINC000137105719 495423765 /nfs/dbraw/zinc/42/37/65/495423765.db2.gz GADVETMYKONCAY-LBPRGKRZSA-N 0 3 369.487 3.031 20 5 FGBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000130993875 495477389 /nfs/dbraw/zinc/47/73/89/495477389.db2.gz FYJFSLXHCISYFY-AWEZNQCLSA-N 0 3 353.220 3.295 20 5 FGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](CN4CCOCC4)C3)o2)cc1 ZINC000130993240 495477480 /nfs/dbraw/zinc/47/74/80/495477480.db2.gz HVXREOQDWZLVQI-INIZCTEOSA-N 0 3 371.437 3.009 20 5 FGBDHN COc1ccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000115515539 495512699 /nfs/dbraw/zinc/51/26/99/495512699.db2.gz FSXMBMLITRYVBZ-AWEZNQCLSA-N 0 3 360.414 3.030 20 5 FGBDHN CCOCCCN1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521452 495513480 /nfs/dbraw/zinc/51/34/80/495513480.db2.gz NAQJQMKRUNRPSS-RHSMWYFYSA-N 0 3 363.458 3.346 20 5 FGBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115565964 495518620 /nfs/dbraw/zinc/51/86/20/495518620.db2.gz WBIWJMHOTYTVOR-UPTPFMHGSA-N 0 3 374.485 3.118 20 5 FGBDHN Cc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000173455138 495537752 /nfs/dbraw/zinc/53/77/52/495537752.db2.gz UZWUSRFMDKOYOK-UHFFFAOYSA-N 0 3 356.426 3.040 20 5 FGBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000154212582 495546664 /nfs/dbraw/zinc/54/66/64/495546664.db2.gz VUVPJRWBPCEMIB-HIFRSBDPSA-N 0 3 374.416 3.457 20 5 FGBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC000147251589 495572695 /nfs/dbraw/zinc/57/26/95/495572695.db2.gz YPZRQJZPECDIKE-OAHLLOKOSA-N 0 3 367.405 3.228 20 5 FGBDHN C[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000176422035 495645684 /nfs/dbraw/zinc/64/56/84/495645684.db2.gz HILYKVCUJGLRPR-PBHICJAKSA-N 0 3 361.467 3.380 20 5 FGBDHN Cc1cc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000182766171 495695308 /nfs/dbraw/zinc/69/53/08/495695308.db2.gz UKHXXTDQGGGYLB-GXTWGEPZSA-N 0 3 350.440 3.364 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](O)COCc1ccccc1 ZINC000182783817 495701712 /nfs/dbraw/zinc/70/17/12/495701712.db2.gz LWEYRUBWXKLLOG-APWZRJJASA-N 0 3 358.438 3.474 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H](C(C)C)C1 ZINC000173858461 495722284 /nfs/dbraw/zinc/72/22/84/495722284.db2.gz FCDRBHDUXRYDCZ-MRXNPFEDSA-N 0 3 351.472 3.305 20 5 FGBDHN CNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000179821909 495749453 /nfs/dbraw/zinc/74/94/53/495749453.db2.gz XLVFSALYQBTZQX-UHFFFAOYSA-N 0 3 359.451 3.281 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000182914845 495755585 /nfs/dbraw/zinc/75/55/85/495755585.db2.gz VONSAYCAMONZSW-RDTXWAMCSA-N 0 3 358.442 3.143 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000176740592 495769373 /nfs/dbraw/zinc/76/93/73/495769373.db2.gz ZXLRAOWMRXWQRN-UHFFFAOYSA-N 0 3 373.400 3.498 20 5 FGBDHN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(OCCN(C)C)c1 ZINC000151380122 495820569 /nfs/dbraw/zinc/82/05/69/495820569.db2.gz SOOACSXDKDAQFP-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN COCCN1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180242515 495921994 /nfs/dbraw/zinc/92/19/94/495921994.db2.gz MSWMRDHDPDEERX-NRFANRHFSA-N 0 3 369.465 3.385 20 5 FGBDHN O=C(CN[C@@H](Cc1ccccc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183397426 495964631 /nfs/dbraw/zinc/96/46/31/495964631.db2.gz CCRVAKAZXKDJPK-IBGZPJMESA-N 0 3 365.433 3.095 20 5 FGBDHN C[C@@H](N[C@@H](C)Cn1cc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000155799775 496072614 /nfs/dbraw/zinc/07/26/14/496072614.db2.gz RKAKSRIHQWGFGH-WDEREUQCSA-N 0 3 353.220 3.293 20 5 FGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000180720063 496118114 /nfs/dbraw/zinc/11/81/14/496118114.db2.gz YBUNPCPWMULTFI-CQSZACIVSA-N 0 3 371.393 3.281 20 5 FGBDHN O=[N+]([O-])c1cccc([C@H](NCCCO[C@H]2CCOC2)c2ccccc2)c1 ZINC000180754797 496133020 /nfs/dbraw/zinc/13/30/20/496133020.db2.gz MPEZXBKELFOIHX-VQTJNVASSA-N 0 3 356.422 3.469 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@]2(CCO)CCOC2)c2ccccc2)c1 ZINC000180776305 496141917 /nfs/dbraw/zinc/14/19/17/496141917.db2.gz PXBBVJALCSUAMF-VQTJNVASSA-N 0 3 356.422 3.063 20 5 FGBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161673543 496219919 /nfs/dbraw/zinc/21/99/19/496219919.db2.gz DKGZJKFHGBLUPW-OAHLLOKOSA-N 0 3 373.409 3.020 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000580795017 505839493 /nfs/dbraw/zinc/83/94/93/505839493.db2.gz BRAFPSMHBYOASP-UHFFFAOYSA-N 0 3 358.442 3.363 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184414405 496373662 /nfs/dbraw/zinc/37/36/62/496373662.db2.gz IWMRVVXJIOGDNP-CQSZACIVSA-N 0 3 368.437 3.132 20 5 FGBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000181666065 496494934 /nfs/dbraw/zinc/49/49/34/496494934.db2.gz XKJFGDLPDITMMJ-SFHVURJKSA-N 0 3 357.410 3.209 20 5 FGBDHN Cc1ccc([C@@H](C)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000580828653 505847795 /nfs/dbraw/zinc/84/77/95/505847795.db2.gz FIQUVAPVQGJSIN-HNNXBMFYSA-N 0 3 362.451 3.070 20 5 FGBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000187609116 496508396 /nfs/dbraw/zinc/50/83/96/496508396.db2.gz JTKXNJZRGXGUMT-IBGZPJMESA-N 0 3 371.412 3.374 20 5 FGBDHN CCCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000184888036 496572125 /nfs/dbraw/zinc/57/21/25/496572125.db2.gz JHCNWFUUOUKWGY-QGZVFWFLSA-N 0 3 354.472 3.317 20 5 FGBDHN COc1cc(CN[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000178994838 496639019 /nfs/dbraw/zinc/63/90/19/496639019.db2.gz DPCRUFXIVWUXBC-INIZCTEOSA-N 0 3 358.394 3.061 20 5 FGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(Br)c1 ZINC000182036219 496644814 /nfs/dbraw/zinc/64/48/14/496644814.db2.gz POSQUDZVVGKLJM-CQSZACIVSA-N 0 3 371.210 3.434 20 5 FGBDHN O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000166750034 496691973 /nfs/dbraw/zinc/69/19/73/496691973.db2.gz ZBHMYZFASPIPHT-CRAIPNDOSA-N 0 3 369.421 3.291 20 5 FGBDHN C[C@H](C(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185177788 496693860 /nfs/dbraw/zinc/69/38/60/496693860.db2.gz KMHHCLVGNXTDPP-GOEBONIOSA-N 0 3 363.433 3.314 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000176127384 496696367 /nfs/dbraw/zinc/69/63/67/496696367.db2.gz VCOSBZFOIDHARD-RHSMWYFYSA-N 0 3 368.437 3.081 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CC2)cc1 ZINC000182197999 496704123 /nfs/dbraw/zinc/70/41/23/496704123.db2.gz DKWZKWZPOGUSFT-GOSISDBHSA-N 0 3 360.435 3.109 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179257305 496721637 /nfs/dbraw/zinc/72/16/37/496721637.db2.gz ZNPBYQZRPZXYFD-UHFFFAOYSA-N 0 3 370.453 3.305 20 5 FGBDHN CC[C@H](NCc1ccccc1Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000268760890 496776909 /nfs/dbraw/zinc/77/69/09/496776909.db2.gz LOEUWPNKROLIJN-IBGZPJMESA-N 0 3 351.410 3.476 20 5 FGBDHN CCOC(=O)c1csc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000191555605 496809306 /nfs/dbraw/zinc/80/93/06/496809306.db2.gz UMCYSSJPNXNLSR-GFCCVEGCSA-N 0 3 363.439 3.430 20 5 FGBDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268874200 496811792 /nfs/dbraw/zinc/81/17/92/496811792.db2.gz IIFVVVNRQSLUOJ-MLGOLLRUSA-N 0 3 372.450 3.441 20 5 FGBDHN COc1cc(CNC[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000191671567 496851674 /nfs/dbraw/zinc/85/16/74/496851674.db2.gz SQOVVXJPERVVEK-GOSISDBHSA-N 0 3 352.431 3.033 20 5 FGBDHN O=C(NC1CCN(CCc2ccccc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000195279570 496873736 /nfs/dbraw/zinc/87/37/36/496873736.db2.gz OJHOWQKJQSMBKB-UHFFFAOYSA-N 0 3 371.412 3.171 20 5 FGBDHN COc1cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000273691012 496876343 /nfs/dbraw/zinc/87/63/43/496876343.db2.gz HWXKWCMAYGCMGN-UHFFFAOYSA-N 0 3 372.421 3.229 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000247666554 496903528 /nfs/dbraw/zinc/90/35/28/496903528.db2.gz YDEIOXUFXCTGQN-UOIKSKOESA-N 0 3 357.410 3.074 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264619608 496946242 /nfs/dbraw/zinc/94/62/42/496946242.db2.gz RGRARMRUVNLESO-WMLDXEAASA-N 0 3 371.441 3.266 20 5 FGBDHN CCN(CCN1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000580974530 505880737 /nfs/dbraw/zinc/88/07/37/505880737.db2.gz BAZXZJCBPMZPAK-UHFFFAOYSA-N 0 3 352.410 3.464 20 5 FGBDHN COc1ccc(OCCN[C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192363075 497090546 /nfs/dbraw/zinc/09/05/46/497090546.db2.gz DUNFZBRVQHXYKZ-MRXNPFEDSA-N 0 3 358.394 3.355 20 5 FGBDHN Cc1nnc([C@H]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000270663557 497174073 /nfs/dbraw/zinc/17/40/73/497174073.db2.gz WBSNOULDSBHPNX-AWEZNQCLSA-N 0 3 368.397 3.056 20 5 FGBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000192804306 497219312 /nfs/dbraw/zinc/21/93/12/497219312.db2.gz ZINBEFLSDUEEBG-MRXNPFEDSA-N 0 3 363.389 3.466 20 5 FGBDHN CCOc1ccc([C@@H](C)NCc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000271146079 497273506 /nfs/dbraw/zinc/27/35/06/497273506.db2.gz PLXMMGHCNDWZCT-CQSZACIVSA-N 0 3 367.409 3.425 20 5 FGBDHN CCOc1ccc([C@H](C)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000271429357 497347322 /nfs/dbraw/zinc/34/73/22/497347322.db2.gz AWKRGHWMVYRACF-YJLNNSPDSA-N 0 3 374.437 3.129 20 5 FGBDHN O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275687574 497403278 /nfs/dbraw/zinc/40/32/78/497403278.db2.gz PFZYNWJTPBYWLP-VQTJNVASSA-N 0 3 361.445 3.450 20 5 FGBDHN Cc1cc(C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000271671532 497415747 /nfs/dbraw/zinc/41/57/47/497415747.db2.gz XCEAXRWINSCIQC-UHFFFAOYSA-N 0 3 371.441 3.143 20 5 FGBDHN COc1ccc(OCCN[C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271739284 497434631 /nfs/dbraw/zinc/43/46/31/497434631.db2.gz BVCXQJAURZSXAD-QGZVFWFLSA-N 0 3 360.410 3.086 20 5 FGBDHN COc1cccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1[N+](=O)[O-] ZINC000194070591 497563976 /nfs/dbraw/zinc/56/39/76/497563976.db2.gz HXOWJTWWOLWTMD-OAHLLOKOSA-N 0 3 367.405 3.228 20 5 FGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272217442 497567319 /nfs/dbraw/zinc/56/73/19/497567319.db2.gz SPLLJNTXYMCDJZ-VUDGCMKMSA-N 0 3 365.861 3.450 20 5 FGBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000272549602 497659144 /nfs/dbraw/zinc/65/91/44/497659144.db2.gz QZURHCPWRSEUEE-APWZRJJASA-N 0 3 371.485 3.128 20 5 FGBDHN CC(C)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272558258 497663166 /nfs/dbraw/zinc/66/31/66/497663166.db2.gz SNYPXRRRHNKUGQ-OALUTQOASA-N 0 3 371.485 3.128 20 5 FGBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000246240524 497672109 /nfs/dbraw/zinc/67/21/09/497672109.db2.gz IVCXZTNRVLSRIJ-SMDDNHRTSA-N 0 3 371.359 3.170 20 5 FGBDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114353 497681112 /nfs/dbraw/zinc/68/11/12/497681112.db2.gz JVICTXGWFXOTRE-YVEFUNNKSA-N 0 3 358.467 3.291 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246849014 497816537 /nfs/dbraw/zinc/81/65/37/497816537.db2.gz OZNZRDPKZMWGPD-HNAYVOBHSA-N 0 3 359.470 3.442 20 5 FGBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000299725161 497909003 /nfs/dbraw/zinc/90/90/03/497909003.db2.gz UFKWFQRFTDBWNY-ZDUSSCGKSA-N 0 3 358.398 3.020 20 5 FGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000364341506 497909115 /nfs/dbraw/zinc/90/91/15/497909115.db2.gz JVSHSSQWVKYPAE-PMACEKPBSA-N 0 3 354.406 3.150 20 5 FGBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301116503 497958758 /nfs/dbraw/zinc/95/87/58/497958758.db2.gz VNJZVYSAFPYAQP-UHFFFAOYSA-N 0 3 360.380 3.052 20 5 FGBDHN C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN(C2CCC2)C1 ZINC000292394806 497999076 /nfs/dbraw/zinc/99/90/76/497999076.db2.gz NXMWVUALTIWDBF-CYBMUJFWSA-N 0 3 356.426 3.023 20 5 FGBDHN Cc1ccn2c(c1)nnc2C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364618663 498053190 /nfs/dbraw/zinc/05/31/90/498053190.db2.gz YSODGJBSOGJFGK-UHFFFAOYSA-N 0 3 365.437 3.368 20 5 FGBDHN C[C@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CN1C1CC1 ZINC000281302184 498096264 /nfs/dbraw/zinc/09/62/64/498096264.db2.gz RMDPGISZGVEGMY-ZFWWWQNUSA-N 0 3 366.421 3.012 20 5 FGBDHN Cc1cc(F)c(NC(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000296627659 498127962 /nfs/dbraw/zinc/12/79/62/498127962.db2.gz CBCSMSWEFKSLHA-CYBMUJFWSA-N 0 3 350.394 3.134 20 5 FGBDHN Cc1cnc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301578497 498171392 /nfs/dbraw/zinc/17/13/92/498171392.db2.gz UCAPIAWONZVFRV-IYBDPMFKSA-N 0 3 362.474 3.014 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(C1)CCCN(C)C2 ZINC000292991083 498224865 /nfs/dbraw/zinc/22/48/65/498224865.db2.gz NZWHVHPPDVRIQV-AUUYWEPGSA-N 0 3 371.441 3.124 20 5 FGBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000285903180 498235662 /nfs/dbraw/zinc/23/56/62/498235662.db2.gz RZJMDWDNEBZCJZ-NHYWBVRUSA-N 0 3 371.359 3.312 20 5 FGBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286095684 498290921 /nfs/dbraw/zinc/29/09/21/498290921.db2.gz KUVPZJRBUIMVBH-NORZTCDRSA-N 0 3 367.471 3.194 20 5 FGBDHN O=[N+]([O-])c1ccc(Br)cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301873135 498305237 /nfs/dbraw/zinc/30/52/37/498305237.db2.gz LFNWJONZUAUVOA-ZDUSSCGKSA-N 0 3 370.247 3.023 20 5 FGBDHN CCc1nn(C)c(NC[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301923531 498330410 /nfs/dbraw/zinc/33/04/10/498330410.db2.gz FUWCZWWKNATIMR-MRXNPFEDSA-N 0 3 357.458 3.357 20 5 FGBDHN CN(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(Cl)cc1 ZINC000302012198 498366348 /nfs/dbraw/zinc/36/63/48/498366348.db2.gz WTKAZJPPLDDIQK-ZDUSSCGKSA-N 0 3 360.805 3.006 20 5 FGBDHN O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365238078 498368063 /nfs/dbraw/zinc/36/80/63/498368063.db2.gz FZBKIIOXINUJEI-MRXNPFEDSA-N 0 3 369.425 3.024 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000578808596 506024853 /nfs/dbraw/zinc/02/48/53/506024853.db2.gz KFQNNZNVWCAJMD-UHFFFAOYSA-N 0 3 365.478 3.170 20 5 FGBDHN CCCN(CCN1CCCCCC1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000578808596 506024855 /nfs/dbraw/zinc/02/48/55/506024855.db2.gz KFQNNZNVWCAJMD-UHFFFAOYSA-N 0 3 365.478 3.170 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293482193 498399190 /nfs/dbraw/zinc/39/91/90/498399190.db2.gz MKVURXRBIKLIFM-LLVKDONJSA-N 0 3 359.348 3.075 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCC3)C2)nc1OCc1ccccc1 ZINC000302148936 498417960 /nfs/dbraw/zinc/41/79/60/498417960.db2.gz ANIRIFQXESKFTC-QGZVFWFLSA-N 0 3 368.437 3.243 20 5 FGBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000361761782 498426308 /nfs/dbraw/zinc/42/63/08/498426308.db2.gz DJVNKFZCMANADW-UHFFFAOYSA-N 0 3 361.833 3.139 20 5 FGBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000302182325 498431189 /nfs/dbraw/zinc/43/11/89/498431189.db2.gz RESAOVDZJBINPM-RDJZCZTQSA-N 0 3 370.453 3.488 20 5 FGBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302305614 498466650 /nfs/dbraw/zinc/46/66/50/498466650.db2.gz ZKLQOVPDZMVJOD-INIZCTEOSA-N 0 3 369.469 3.095 20 5 FGBDHN CCc1ccc(C(=O)N2CC[C@H](N)c3cc(OC)ccc32)cc1[N+](=O)[O-] ZINC000365492150 498496076 /nfs/dbraw/zinc/49/60/76/498496076.db2.gz LSTKXQOXBPNEOY-INIZCTEOSA-N 0 3 355.394 3.216 20 5 FGBDHN CC(C)c1ccc(CNc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000365944429 498706694 /nfs/dbraw/zinc/70/66/94/498706694.db2.gz IGZCDMVCYPHQKM-UHFFFAOYSA-N 0 3 357.458 3.215 20 5 FGBDHN CCc1cc(N2CCC[C@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)ncn1 ZINC000579024458 506077292 /nfs/dbraw/zinc/07/72/92/506077292.db2.gz ONNMFUBOHWTOCP-YJBOKZPZSA-N 0 3 367.453 3.193 20 5 FGBDHN COc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000365957527 498712160 /nfs/dbraw/zinc/71/21/60/498712160.db2.gz XJQUHSWFKAHCPA-KXBFYZLASA-N 0 3 356.426 3.128 20 5 FGBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596623 498736096 /nfs/dbraw/zinc/73/60/96/498736096.db2.gz GVVYROWQQYMGDT-OLZOCXBDSA-N 0 3 371.359 3.312 20 5 FGBDHN CNc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000312800879 498763087 /nfs/dbraw/zinc/76/30/87/498763087.db2.gz QJFGGBZJUWJOKG-YOEHRIQHSA-N 0 3 368.437 3.029 20 5 FGBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283576137 498929049 /nfs/dbraw/zinc/92/90/49/498929049.db2.gz OSHMQGCIEUPDEI-MRXNPFEDSA-N 0 3 353.422 3.189 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000570239282 506121296 /nfs/dbraw/zinc/12/12/96/506121296.db2.gz DUEBKPBKLUUYHM-MRXNPFEDSA-N 0 3 373.457 3.377 20 5 FGBDHN O=C(CN(CCN1CCCCCC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573120924 506123547 /nfs/dbraw/zinc/12/35/47/506123547.db2.gz JIGILCVOQPXRTI-UHFFFAOYSA-N 0 3 374.485 3.264 20 5 FGBDHN CCOc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291706461 499042536 /nfs/dbraw/zinc/04/25/36/499042536.db2.gz IGWSCKLULBYFKA-FQEVSTJZSA-N 0 3 356.422 3.130 20 5 FGBDHN CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372591334 499150620 /nfs/dbraw/zinc/15/06/20/499150620.db2.gz FSFPBHXMZQCPIQ-GUYCJALGSA-N 0 3 357.370 3.003 20 5 FGBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000579302477 506140594 /nfs/dbraw/zinc/14/05/94/506140594.db2.gz IIPUJWOIYPYNSO-HNNXBMFYSA-N 0 3 373.428 3.428 20 5 FGBDHN O=C(CCN1CC=C(c2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000371407428 499322127 /nfs/dbraw/zinc/32/21/27/499322127.db2.gz CJDMCVKSYNRWAP-UHFFFAOYSA-N 0 3 352.394 3.108 20 5 FGBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2N2CCOCC2)c2ccncc21 ZINC000369005818 499356171 /nfs/dbraw/zinc/35/61/71/499356171.db2.gz XAPFXDWZECACHR-KDOFPFPSSA-N 0 3 356.426 3.056 20 5 FGBDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000371946640 499383168 /nfs/dbraw/zinc/38/31/68/499383168.db2.gz CNVQXENDADWFLK-SFHVURJKSA-N 0 3 371.441 3.111 20 5 FGBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000369312613 499390451 /nfs/dbraw/zinc/39/04/51/499390451.db2.gz QQDJJDDVUGXZPZ-UHFFFAOYSA-N 0 3 361.833 3.139 20 5 FGBDHN O=C(CCN1CCC(F)(c2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375281353 499502892 /nfs/dbraw/zinc/50/28/92/499502892.db2.gz MLXMHYUTTPHQSC-UHFFFAOYSA-N 0 3 372.400 3.279 20 5 FGBDHN O=C([C@H]1CC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2)N1CCCCC1 ZINC000378411108 499513702 /nfs/dbraw/zinc/51/37/02/499513702.db2.gz KOPDQFRYOQDMPV-LJQANCHMSA-N 0 3 371.481 3.252 20 5 FGBDHN C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N(C)Cc1ccccc1 ZINC000390598201 499554839 /nfs/dbraw/zinc/55/48/39/499554839.db2.gz YEYDAAHYJLUBKF-OAHLLOKOSA-N 0 3 350.422 3.497 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2cccnc2)CC1 ZINC000375899235 499566442 /nfs/dbraw/zinc/56/64/42/499566442.db2.gz BCYQSIJHYVZWQP-UHFFFAOYSA-N 0 3 366.421 3.416 20 5 FGBDHN COC[C@@H]1CCCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000376370978 499603826 /nfs/dbraw/zinc/60/38/26/499603826.db2.gz SGIXINPTKWULFY-UONOGXRCSA-N 0 3 360.414 3.454 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000582202717 506156961 /nfs/dbraw/zinc/15/69/61/506156961.db2.gz YMFJJHBYBYEXCJ-KRWDZBQOSA-N 0 3 357.458 3.078 20 5 FGBDHN CC[C@H](NCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000411475214 499745156 /nfs/dbraw/zinc/74/51/56/499745156.db2.gz NJZOEHOKGVLVAE-INIZCTEOSA-N 0 3 371.393 3.393 20 5 FGBDHN CC(C)(CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000414254765 499771760 /nfs/dbraw/zinc/77/17/60/499771760.db2.gz JAHXJKSATCWSEW-HNNXBMFYSA-N 0 3 354.472 3.120 20 5 FGBDHN CNCc1ccccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000415913762 499927702 /nfs/dbraw/zinc/92/77/02/499927702.db2.gz REWOUTBEYNUQCQ-UHFFFAOYSA-N 0 3 356.426 3.459 20 5 FGBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000413412881 499950490 /nfs/dbraw/zinc/95/04/90/499950490.db2.gz SRMIMHXIFBQXQC-GBESFXJTSA-N 0 3 365.433 3.218 20 5 FGBDHN Cc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425001682 499988291 /nfs/dbraw/zinc/98/82/91/499988291.db2.gz KCIJBZXEMSAZKW-AZUAARDMSA-N 0 3 365.433 3.250 20 5 FGBDHN O=C(NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000417340850 500044434 /nfs/dbraw/zinc/04/44/34/500044434.db2.gz MWYRRBOGNQLNHN-LJQANCHMSA-N 0 3 353.422 3.382 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)[C@H]1OC ZINC000429295962 500045582 /nfs/dbraw/zinc/04/55/82/500045582.db2.gz BWFXGBBWTLEVJG-MORSLUCNSA-N 0 3 363.458 3.271 20 5 FGBDHN CCC1(CC)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)[C@@H]1OC ZINC000429303498 500047543 /nfs/dbraw/zinc/04/75/43/500047543.db2.gz WKNNOKXMEXTZHR-VHSSKADRSA-N 0 3 363.458 3.271 20 5 FGBDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440744 500107001 /nfs/dbraw/zinc/10/70/01/500107001.db2.gz HDTPUZSIAVETMD-SMDDNHRTSA-N 0 3 357.248 3.340 20 5 FGBDHN C[C@@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000425457018 500112156 /nfs/dbraw/zinc/11/21/56/500112156.db2.gz KJUIRGPWEPESIO-LSDHHAIUSA-N 0 3 355.232 3.405 20 5 FGBDHN Cc1c(CC(=O)N2c3ccccc3CC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000425601584 500158010 /nfs/dbraw/zinc/15/80/10/500158010.db2.gz GOKACSVRBPAFDX-SFHVURJKSA-N 0 3 367.449 3.355 20 5 FGBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000417856753 500185116 /nfs/dbraw/zinc/18/51/16/500185116.db2.gz SOYHWFJQPLBDQG-KSSFIOAISA-N 0 3 368.437 3.150 20 5 FGBDHN CCNc1ccc(C(=O)N(CC)CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000582326154 506187057 /nfs/dbraw/zinc/18/70/57/506187057.db2.gz PBVIWCQMGVHQOQ-UHFFFAOYSA-N 0 3 362.474 3.365 20 5 FGBDHN Cc1c(CC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000422789136 500298055 /nfs/dbraw/zinc/29/80/55/500298055.db2.gz BAHIEZLRNAMEIM-GOSISDBHSA-N 0 3 355.438 3.385 20 5 FGBDHN CC1(C)C[C@H](Nc2ccc(N3CCNCC3)cn2)c2cc([N+](=O)[O-])ccc21 ZINC000423237473 500357426 /nfs/dbraw/zinc/35/74/26/500357426.db2.gz TYYPHZOXACGHDA-SFHVURJKSA-N 0 3 367.453 3.234 20 5 FGBDHN O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000432164415 500478645 /nfs/dbraw/zinc/47/86/45/500478645.db2.gz DLSDYUMKXXBZQT-OAHLLOKOSA-N 0 3 361.829 3.427 20 5 FGBDHN COc1cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000432240469 500487812 /nfs/dbraw/zinc/48/78/12/500487812.db2.gz KQTKZQFRBCBRMY-UHFFFAOYSA-N 0 3 352.431 3.382 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000428553645 500526517 /nfs/dbraw/zinc/52/65/17/500526517.db2.gz YDYQNNCEJCVPBI-IBGZPJMESA-N 0 3 357.479 3.302 20 5 FGBDHN CC(=O)Nc1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447528734 500617777 /nfs/dbraw/zinc/61/77/77/500617777.db2.gz JZSSFBQJKBZXEN-IAGOWNOFSA-N 0 3 357.414 3.023 20 5 FGBDHN O=C1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1 ZINC000447564762 500625823 /nfs/dbraw/zinc/62/58/23/500625823.db2.gz ZBDAOBACCGEEEG-BEFAXECRSA-N 0 3 351.406 3.367 20 5 FGBDHN Cc1c(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000570626459 506207513 /nfs/dbraw/zinc/20/75/13/506207513.db2.gz OUGASBQAUDSJHS-GHTZIAJQSA-N 0 3 370.449 3.448 20 5 FGBDHN CC1(C)C[C@@H](NC[C@@H](O)COc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433160775 500636854 /nfs/dbraw/zinc/63/68/54/500636854.db2.gz POPZUKZZXSXMBE-DNVCBOLYSA-N 0 3 374.412 3.486 20 5 FGBDHN Cc1ccc([C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N2CCCC2)o1 ZINC000447672059 500643028 /nfs/dbraw/zinc/64/30/28/500643028.db2.gz SEZOXTMWFYPURM-MRXNPFEDSA-N 0 3 355.398 3.043 20 5 FGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000448254359 500739981 /nfs/dbraw/zinc/73/99/81/500739981.db2.gz DRCLSEMTBCJYMF-GOSISDBHSA-N 0 3 374.485 3.389 20 5 FGBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448708769 500810212 /nfs/dbraw/zinc/81/02/12/500810212.db2.gz OOYYCCSLWGJMGQ-LLVKDONJSA-N 0 3 359.348 3.075 20 5 FGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784584 500833299 /nfs/dbraw/zinc/83/32/99/500833299.db2.gz XDSUQHRZBQPOIP-NEPJUHHUSA-N 0 3 373.375 3.464 20 5 FGBDHN CNC(=O)c1ccc(N[C@H](C)[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000439129618 500860846 /nfs/dbraw/zinc/86/08/46/500860846.db2.gz RCHGBHWROBOBEY-FZKQIMNGSA-N 0 3 356.426 3.058 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000449144459 500934298 /nfs/dbraw/zinc/93/42/98/500934298.db2.gz JAOLYAOJLBIKMI-CZUORRHYSA-N 0 3 357.385 3.060 20 5 FGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000449170388 500939822 /nfs/dbraw/zinc/93/98/22/500939822.db2.gz QRPVWMOPIAXHSO-VKJFTORMSA-N 0 3 353.422 3.309 20 5 FGBDHN CCN1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445173560 500951561 /nfs/dbraw/zinc/95/15/61/500951561.db2.gz PCBZJRDQXKKDAL-HNNXBMFYSA-N 0 3 363.461 3.143 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000449336506 500981310 /nfs/dbraw/zinc/98/13/10/500981310.db2.gz NSULHOARQYMLEP-HNAYVOBHSA-N 0 3 355.438 3.205 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000449336507 500981544 /nfs/dbraw/zinc/98/15/44/500981544.db2.gz NSULHOARQYMLEP-KXBFYZLASA-N 0 3 355.438 3.205 20 5 FGBDHN CNC(=O)C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000449604126 501042375 /nfs/dbraw/zinc/04/23/75/501042375.db2.gz SFGDYPSNDRTZKP-SNVBAGLBSA-N 0 3 351.790 3.122 20 5 FGBDHN Cc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000449654324 501051420 /nfs/dbraw/zinc/05/14/20/501051420.db2.gz DTYMGTWPHWGKTL-KBAYOESNSA-N 0 3 358.442 3.387 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000440824633 501054022 /nfs/dbraw/zinc/05/40/22/501054022.db2.gz ULVCTGWUMBXQAC-HXUWFJFHSA-N 0 3 356.422 3.177 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000446027999 501064058 /nfs/dbraw/zinc/06/40/58/501064058.db2.gz HXPQHXHBLPBRPW-ZDUSSCGKSA-N 0 3 353.850 3.407 20 5 FGBDHN COc1ccc(OCCN(C)[C@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056445 501081373 /nfs/dbraw/zinc/08/13/73/501081373.db2.gz YLQJNTYJSMFNRM-JLTOFOAXSA-N 0 3 372.421 3.306 20 5 FGBDHN CN(c1ccccc1)c1ccc(CNCC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000441373328 501129463 /nfs/dbraw/zinc/12/94/63/501129463.db2.gz DSUUMGTXPVHUIS-SANMLTNESA-N 0 3 373.478 3.363 20 5 FGBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000449988278 501146869 /nfs/dbraw/zinc/14/68/69/501146869.db2.gz SBTXWZDXKJGVJS-CMPLNLGQSA-N 0 3 359.348 3.168 20 5 FGBDHN Cc1ccc(S(=O)(=O)CCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451102733 501245909 /nfs/dbraw/zinc/24/59/09/501245909.db2.gz KIUZSCBEISLRBO-HNNXBMFYSA-N 0 3 362.451 3.418 20 5 FGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccc(C(F)(F)F)n2)n1 ZINC000453258131 501301602 /nfs/dbraw/zinc/30/16/02/501301602.db2.gz AFLCZBNMKQUICD-CHWSQXEVSA-N 0 3 369.347 3.479 20 5 FGBDHN C[S@@](=O)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000602649588 506245281 /nfs/dbraw/zinc/24/52/81/506245281.db2.gz WSAKAWMPJVJRIW-HSZRJFAPSA-N 0 3 350.362 3.004 20 5 FGBDHN C[C@]1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453585060 501354836 /nfs/dbraw/zinc/35/48/36/501354836.db2.gz FYFBNEXIEJFOFK-LJQANCHMSA-N 0 3 373.384 3.285 20 5 FGBDHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000453608871 501360580 /nfs/dbraw/zinc/36/05/80/501360580.db2.gz IVIQUXCIQUOTRH-AEFFLSMTSA-N 0 3 350.415 3.061 20 5 FGBDHN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458192964 501389071 /nfs/dbraw/zinc/38/90/71/501389071.db2.gz IFBLHLXGAASSAC-UHFFFAOYSA-N 0 3 357.410 3.404 20 5 FGBDHN COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1c1ccccc1 ZINC000451997587 501415643 /nfs/dbraw/zinc/41/56/43/501415643.db2.gz ALHFIHUZXAVFCE-ZWKOTPCHSA-N 0 3 354.406 3.292 20 5 FGBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000456306134 501493319 /nfs/dbraw/zinc/49/33/19/501493319.db2.gz MNTVZGBIQYZZRJ-QGZVFWFLSA-N 0 3 367.449 3.118 20 5 FGBDHN Cc1ccc([C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N2CCCC2)o1 ZINC000611709813 506267427 /nfs/dbraw/zinc/26/74/27/506267427.db2.gz KQXRIDXZASLFSD-KRWDZBQOSA-N 0 3 367.409 3.110 20 5 FGBDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000457529979 501717268 /nfs/dbraw/zinc/71/72/68/501717268.db2.gz NUIAFNNORMEARH-KSSFIOAISA-N 0 3 356.426 3.258 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1c2ccccc2C(=O)N1C ZINC000599000418 506270983 /nfs/dbraw/zinc/27/09/83/506270983.db2.gz TVNQMDXBXIGIDP-NRJHKNTJSA-N 0 3 351.406 3.415 20 5 FGBDHN COc1cccc(CN(CCN(C)C)c2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC000477717782 501767696 /nfs/dbraw/zinc/76/76/96/501767696.db2.gz NEVLBZJPWXIDSS-UHFFFAOYSA-N 0 3 358.442 3.183 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCC1 ZINC000467415552 501789107 /nfs/dbraw/zinc/78/91/07/501789107.db2.gz ZAWJXWIRNUPHIZ-UONOGXRCSA-N 0 3 351.472 3.066 20 5 FGBDHN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000467441264 501795598 /nfs/dbraw/zinc/79/55/98/501795598.db2.gz DFGABOVACLXTGU-DOXZYTNZSA-N 0 3 353.422 3.435 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccccc4)CC3)nc2c1 ZINC000460351777 501800361 /nfs/dbraw/zinc/80/03/61/501800361.db2.gz WSFCWSVNQUJGQO-UHFFFAOYSA-N 0 3 351.410 3.183 20 5 FGBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)nc1-c1ccc(F)cc1 ZINC000485418683 501816594 /nfs/dbraw/zinc/81/65/94/501816594.db2.gz QHASHIWRGIZCCT-UHFFFAOYSA-N 0 3 356.401 3.328 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000474435780 501836549 /nfs/dbraw/zinc/83/65/49/501836549.db2.gz TXIGMJGPIHKWGI-INIZCTEOSA-N 0 3 354.410 3.299 20 5 FGBDHN COc1cc(CN[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599015321 506277920 /nfs/dbraw/zinc/27/79/20/506277920.db2.gz KIMGKVBMQXCNGW-QAQDUYKDSA-N 0 3 372.421 3.449 20 5 FGBDHN Cc1ccc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022128 501895028 /nfs/dbraw/zinc/89/50/28/501895028.db2.gz LZANRRRXPFGKMX-PKOBYXMFSA-N 0 3 370.449 3.441 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2c(F)cccc2Cl)c(F)c1 ZINC000478177995 501902191 /nfs/dbraw/zinc/90/21/91/501902191.db2.gz NPRMAZOCAMTQBD-LLVKDONJSA-N 0 3 370.783 3.467 20 5 FGBDHN Nc1ccc(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)nc1[N+](=O)[O-] ZINC000596150517 506281175 /nfs/dbraw/zinc/28/11/75/506281175.db2.gz CJQMOBNINNRKQA-HXUWFJFHSA-N 0 3 367.453 3.065 20 5 FGBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000485803567 501943338 /nfs/dbraw/zinc/94/33/38/501943338.db2.gz ORXLOTBQTNJOOO-SWLSCSKDSA-N 0 3 373.434 3.295 20 5 FGBDHN COc1ccc(-c2ccc(CNCCN(C)CC(F)F)o2)c([N+](=O)[O-])c1 ZINC000599023985 506283638 /nfs/dbraw/zinc/28/36/38/506283638.db2.gz WYXHLKHBFJZRSD-UHFFFAOYSA-N 0 3 369.368 3.150 20 5 FGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000468172054 501978866 /nfs/dbraw/zinc/97/88/66/501978866.db2.gz ZSDQMGPDXNGFTK-MGPUTAFESA-N 0 3 355.438 3.253 20 5 FGBDHN CC(C)N(C)C[C@@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461039757 501996592 /nfs/dbraw/zinc/99/65/92/501996592.db2.gz ZCWXZGKDOLVIKO-CYBMUJFWSA-N 0 3 369.440 3.279 20 5 FGBDHN COc1cccc(NC(=O)C[C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000478496235 502000839 /nfs/dbraw/zinc/00/08/39/502000839.db2.gz FQRJTNJDKXRQBV-CYBMUJFWSA-N 0 3 357.410 3.419 20 5 FGBDHN COc1ccccc1NC(=O)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478498999 502001372 /nfs/dbraw/zinc/00/13/72/502001372.db2.gz CREWNPXVEIDONQ-CYBMUJFWSA-N 0 3 357.410 3.419 20 5 FGBDHN COc1cc(CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000464681503 502062466 /nfs/dbraw/zinc/06/24/66/502062466.db2.gz FCECDTCUFXHEDR-SGTLLEGYSA-N 0 3 354.422 3.409 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000468470646 502069945 /nfs/dbraw/zinc/06/99/45/502069945.db2.gz BYQKTUNKHGILPP-AWEZNQCLSA-N 0 3 371.384 3.046 20 5 FGBDHN COc1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475378138 502154322 /nfs/dbraw/zinc/15/43/22/502154322.db2.gz XYWYJBDELSFHIK-HXUWFJFHSA-N 0 3 356.422 3.173 20 5 FGBDHN CC[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000461755792 502192068 /nfs/dbraw/zinc/19/20/68/502192068.db2.gz BZENSKHKGVIPQD-RDJZCZTQSA-N 0 3 351.472 3.289 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000602785029 506299293 /nfs/dbraw/zinc/29/92/93/506299293.db2.gz RNBFXXSRUSHAMB-CQSZACIVSA-N 0 3 355.398 3.121 20 5 FGBDHN CNC(=O)c1ccc(N(CCN2CCCCCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000461892844 502225642 /nfs/dbraw/zinc/22/56/42/502225642.db2.gz ZYPAQCGELLOKRA-UHFFFAOYSA-N 0 3 374.485 3.189 20 5 FGBDHN C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000479441520 502261194 /nfs/dbraw/zinc/26/11/94/502261194.db2.gz OHNMHKFUKJIGFF-ZDUSSCGKSA-N 0 3 353.850 3.171 20 5 FGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000469042700 502275610 /nfs/dbraw/zinc/27/56/10/502275610.db2.gz PHPFCDOLOKQNKJ-HXUWFJFHSA-N 0 3 369.465 3.410 20 5 FGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCC4CC4)cc3)C2)nc1 ZINC000483260441 502330988 /nfs/dbraw/zinc/33/09/88/502330988.db2.gz BRMIONHAVVLRLG-KRWDZBQOSA-N 0 3 368.437 3.465 20 5 FGBDHN COc1ccc(CN2CC[C@@H]2CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000599067718 506308356 /nfs/dbraw/zinc/30/83/56/506308356.db2.gz HZFPEUXEHXHJCK-OXQOHEQNSA-N 0 3 367.449 3.455 20 5 FGBDHN COCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000483402817 502375624 /nfs/dbraw/zinc/37/56/24/502375624.db2.gz HFJYYWFLYTUEOV-ZFWWWQNUSA-N 0 3 352.431 3.249 20 5 FGBDHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000479825181 502389154 /nfs/dbraw/zinc/38/91/54/502389154.db2.gz YCWDVOLDCARQKG-GOSISDBHSA-N 0 3 371.437 3.253 20 5 FGBDHN COc1ncc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC000602816870 506311552 /nfs/dbraw/zinc/31/15/52/506311552.db2.gz DHXMUCWJRJCFNR-UHFFFAOYSA-N 0 3 367.409 3.185 20 5 FGBDHN CCc1cc(N(C)CCN(C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472666878 502413904 /nfs/dbraw/zinc/41/39/04/502413904.db2.gz AXRHFZAWTFILTF-UHFFFAOYSA-N 0 3 355.442 3.145 20 5 FGBDHN COc1cc(C(=O)Nc2cccc(OCCN(C)C)c2)cc([N+](=O)[O-])c1C ZINC000479939145 502425388 /nfs/dbraw/zinc/42/53/88/502425388.db2.gz HCYDEKRMOYKARB-UHFFFAOYSA-N 0 3 373.409 3.105 20 5 FGBDHN CCN(CCN1CCCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483854121 502506964 /nfs/dbraw/zinc/50/69/64/502506964.db2.gz IRKSOSLIKKJKOC-UHFFFAOYSA-N 0 3 352.410 3.464 20 5 FGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3ccsc3)o2)c1 ZINC000473173432 502536151 /nfs/dbraw/zinc/53/61/51/502536151.db2.gz ZAQBDIOMJRNLGW-OAHLLOKOSA-N 0 3 359.407 3.177 20 5 FGBDHN COc1cc(CNC[C@@H]2CCC3(CCCCC3)O2)c([N+](=O)[O-])cc1O ZINC000480442796 502571403 /nfs/dbraw/zinc/57/14/03/502571403.db2.gz IPWXHQDQGLMHJG-AWEZNQCLSA-N 0 3 350.415 3.281 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)c(Cl)c1 ZINC000480455085 502573066 /nfs/dbraw/zinc/57/30/66/502573066.db2.gz SILWHYDCZQNGAX-GFCCVEGCSA-N 0 3 370.783 3.467 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000466476249 502581489 /nfs/dbraw/zinc/58/14/89/502581489.db2.gz YBRVMNTZCUVJMD-DNVCBOLYSA-N 0 3 353.422 3.182 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000473506503 502614400 /nfs/dbraw/zinc/61/44/00/502614400.db2.gz IIWKATWOMIDSMB-HXUWFJFHSA-N 0 3 368.437 3.051 20 5 FGBDHN C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000484333781 502627244 /nfs/dbraw/zinc/62/72/44/502627244.db2.gz BBCFZTQAFMRXCW-HNAYVOBHSA-N 0 3 368.437 3.057 20 5 FGBDHN Cc1ccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000470130313 502671373 /nfs/dbraw/zinc/67/13/73/502671373.db2.gz BPGBFVLEIPQOIC-QGZVFWFLSA-N 0 3 360.389 3.467 20 5 FGBDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146669 502678319 /nfs/dbraw/zinc/67/83/19/502678319.db2.gz KTKHGEUFRWAOHB-DFHBCGBQSA-N 0 3 371.462 3.409 20 5 FGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000470181928 502698828 /nfs/dbraw/zinc/69/88/28/502698828.db2.gz HISWWEDUZHIABE-BXBHGGAKSA-N 0 3 359.470 3.482 20 5 FGBDHN CCOc1ccc([C@H](C)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000504895570 502819858 /nfs/dbraw/zinc/81/98/58/502819858.db2.gz USWGGRKAPYWVCF-SUMWQHHRSA-N 0 3 353.488 3.081 20 5 FGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCNC(=O)c1ccccc1 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ZINC000598261943 507349110 /nfs/dbraw/zinc/34/91/10/507349110.db2.gz JFMUZZZOXCUNIE-GJZGRUSLSA-N 0 3 365.499 3.312 20 5 FGBDHN Cc1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000601633812 507410700 /nfs/dbraw/zinc/41/07/00/507410700.db2.gz QQOOWJWUGHRMGN-UHFFFAOYSA-N 0 3 361.373 3.235 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC2(CCCC2)C1 ZINC000614222794 507412694 /nfs/dbraw/zinc/41/26/94/507412694.db2.gz BXJJKDNVVXCITI-UHFFFAOYSA-N 0 3 361.442 3.124 20 5 FGBDHN CCc1cc(N2CCN(CC)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611084811 507509647 /nfs/dbraw/zinc/50/96/47/507509647.db2.gz WMEQLEOETMNSSN-CQSZACIVSA-N 0 3 355.442 3.145 20 5 FGBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000611202191 507560153 /nfs/dbraw/zinc/56/01/53/507560153.db2.gz MTEXLZCJBHPFRL-UHFFFAOYSA-N 0 3 363.483 3.454 20 5 FGBDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595665530 507619007 /nfs/dbraw/zinc/61/90/07/507619007.db2.gz VOOPATNYWVCZIZ-AEFFLSMTSA-N 0 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371.890 3.283 20 5 FGBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN(C4CCCC4)CC3)nn2)ccc1F ZINC001165032662 721861416 /nfs/dbraw/zinc/86/14/16/721861416.db2.gz YHIACVOCYSTVPH-UHFFFAOYSA-N 0 3 371.416 3.256 20 5 FGBDHN COc1cnccc1N1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000795288395 723579357 /nfs/dbraw/zinc/57/93/57/723579357.db2.gz SWHPLDLYFJTLLD-UHFFFAOYSA-N 0 3 362.817 3.287 20 5 FGBDHN CCN1C[C@@H](C)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769467007 723686432 /nfs/dbraw/zinc/68/64/32/723686432.db2.gz QGIYVYDWXZCIGT-VXGBXAGGSA-N 0 3 356.264 3.272 20 5 FGBDHN COc1ccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000785616944 724926041 /nfs/dbraw/zinc/92/60/41/724926041.db2.gz YSEUVZQICRJAJR-HNNXBMFYSA-N 0 3 354.765 3.219 20 5 FGBDHN C[C@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788664739 725079524 /nfs/dbraw/zinc/07/95/24/725079524.db2.gz KIUWUDUIXDBKCW-BJOHPYRUSA-N 0 3 353.781 3.354 20 5 FGBDHN COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000808800109 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495799346 /nfs/dbraw/zinc/79/93/46/495799346.db2.gz FUGBYWYAPNQTKG-UHFFFAOYSA-N 0 3 371.384 3.191 20 5 FGBDHN COCCOC[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180010489 495821488 /nfs/dbraw/zinc/82/14/88/495821488.db2.gz IXTBVJAGMQMSFC-HNNXBMFYSA-N 0 3 360.410 3.340 20 5 FGBDHN Cc1c(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000159946942 495848212 /nfs/dbraw/zinc/84/82/12/495848212.db2.gz WBGCAAPFMRBSDA-KRWDZBQOSA-N 0 3 373.478 3.461 20 5 FGBDHN CC(C)(C)OC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241868 495879315 /nfs/dbraw/zinc/87/93/15/495879315.db2.gz SGMQDJXCHCUZHB-UHFFFAOYSA-N 0 3 350.415 3.170 20 5 FGBDHN CN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160146380 495895424 /nfs/dbraw/zinc/89/54/24/495895424.db2.gz REQPZRQPWVBBBN-UHFFFAOYSA-N 0 3 360.336 3.173 20 5 FGBDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186323642 495948493 /nfs/dbraw/zinc/94/84/93/495948493.db2.gz ICLYZCFZUXRLMK-HZPDHXFCSA-N 0 3 369.849 3.370 20 5 FGBDHN C[C@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180415122 495987164 /nfs/dbraw/zinc/98/71/64/495987164.db2.gz NPUOKMSEFQRVMD-SCLBCKFNSA-N 0 3 364.829 3.477 20 5 FGBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000180422557 495991045 /nfs/dbraw/zinc/99/10/45/495991045.db2.gz KIMLQNIHUFMKFL-UHFFFAOYSA-N 0 3 374.466 3.430 20 5 FGBDHN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](c1ccccc1)N(C)C ZINC000186482530 496014260 /nfs/dbraw/zinc/01/42/60/496014260.db2.gz REOBUUYCMJGUKA-DJJJIMSYSA-N 0 3 366.421 3.497 20 5 FGBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000174664928 496051211 /nfs/dbraw/zinc/05/12/11/496051211.db2.gz QDLPWKYJCKUOEY-DZGCQCFKSA-N 0 3 372.450 3.027 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000161307768 496149320 /nfs/dbraw/zinc/14/93/20/496149320.db2.gz CGTVCAPUSHAPEW-CZUORRHYSA-N 0 3 363.483 3.263 20 5 FGBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(CN(C)C)c1 ZINC000180866661 496178324 /nfs/dbraw/zinc/17/83/24/496178324.db2.gz HJTJVXPESODNSZ-UHFFFAOYSA-N 0 3 372.381 3.434 20 5 FGBDHN CC(C)C(=O)NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181023073 496244891 /nfs/dbraw/zinc/24/48/91/496244891.db2.gz BHSBQCNBYAZDJB-IBGZPJMESA-N 0 3 355.438 3.436 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000181075236 496262224 /nfs/dbraw/zinc/26/22/24/496262224.db2.gz DQULXILSEFFMHF-HNNXBMFYSA-N 0 3 363.483 3.406 20 5 FGBDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000175306413 496331877 /nfs/dbraw/zinc/33/18/77/496331877.db2.gz NZGMJJQSDBGPJJ-QWRGUYRKSA-N 0 3 372.372 3.143 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000175306394 496332133 /nfs/dbraw/zinc/33/21/33/496332133.db2.gz NZGMJJQSDBGPJJ-MNOVXSKESA-N 0 3 372.372 3.143 20 5 FGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181318463 496351472 /nfs/dbraw/zinc/35/14/72/496351472.db2.gz NNAFTDDWGYILNM-CVEARBPZSA-N 0 3 370.453 3.476 20 5 FGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000181322798 496353234 /nfs/dbraw/zinc/35/32/34/496353234.db2.gz SRXQGKVHOQCRIL-AWEZNQCLSA-N 0 3 371.393 3.281 20 5 FGBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000181421392 496388090 /nfs/dbraw/zinc/38/80/90/496388090.db2.gz UWTCHQAXRPHZBC-IFXJQAMLSA-N 0 3 369.421 3.106 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000163020164 496451761 /nfs/dbraw/zinc/45/17/61/496451761.db2.gz ZOPDYEROOGACEV-YCPHGPKFSA-N 0 3 369.421 3.385 20 5 FGBDHN O=[N+]([O-])c1cccc(CNCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000187570181 496494468 /nfs/dbraw/zinc/49/44/68/496494468.db2.gz INEYYXGFNGTTHN-UHFFFAOYSA-N 0 3 355.316 3.263 20 5 FGBDHN COc1ccccc1[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181722135 496517711 /nfs/dbraw/zinc/51/77/11/496517711.db2.gz YFBUXZPDGXAEKH-DOTOQJQBSA-N 0 3 372.421 3.180 20 5 FGBDHN COc1ccc(NC(=O)CN[C@H](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181801741 496551419 /nfs/dbraw/zinc/55/14/19/496551419.db2.gz BHZXEMZLDHLXSW-CQSZACIVSA-N 0 3 371.437 3.498 20 5 FGBDHN CC[C@H](c1cccc(OC)c1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956883 505854655 /nfs/dbraw/zinc/85/46/55/505854655.db2.gz NYNHDGQCSRTHIU-SJLPKXTDSA-N 0 3 374.437 3.426 20 5 FGBDHN CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000181957945 496613210 /nfs/dbraw/zinc/61/32/10/496613210.db2.gz OMSHEUYYPYQNSC-YOEHRIQHSA-N 0 3 360.410 3.123 20 5 FGBDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000181972212 496618372 /nfs/dbraw/zinc/61/83/72/496618372.db2.gz VBLQBQAUQVAHNP-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN C[C@H](NCCCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173406617 496679100 /nfs/dbraw/zinc/67/91/00/496679100.db2.gz KERCFEKEDCQBTC-AWEZNQCLSA-N 0 3 367.405 3.322 20 5 FGBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176124795 496694512 /nfs/dbraw/zinc/69/45/12/496694512.db2.gz IWMRDWGJGMPOFV-UHFFFAOYSA-N 0 3 368.437 3.035 20 5 FGBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000182175776 496698227 /nfs/dbraw/zinc/69/82/27/496698227.db2.gz KCUUJFYMHRITBE-IUODEOHRSA-N 0 3 350.802 3.339 20 5 FGBDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185194732 496699690 /nfs/dbraw/zinc/69/96/90/496699690.db2.gz RCSNSOAWVUMZGZ-SJORKVTESA-N 0 3 350.415 3.145 20 5 FGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000569161899 505865989 /nfs/dbraw/zinc/86/59/89/505865989.db2.gz MMGVYTOGFBLIFY-IUODEOHRSA-N 0 3 361.398 3.056 20 5 FGBDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000182253361 496720580 /nfs/dbraw/zinc/72/05/80/496720580.db2.gz MIWTYBWBEGJMSL-ACJLOTCBSA-N 0 3 359.401 3.257 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000182301418 496728031 /nfs/dbraw/zinc/72/80/31/496728031.db2.gz RIHYGWDZYCNBTK-CYBMUJFWSA-N 0 3 371.393 3.311 20 5 FGBDHN Cn1cc(CN2CCC([C@H]3CCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188257820 496731947 /nfs/dbraw/zinc/73/19/47/496731947.db2.gz ICBVLMXIDOSJSM-LJQANCHMSA-N 0 3 370.453 3.386 20 5 FGBDHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273353876 496782167 /nfs/dbraw/zinc/78/21/67/496782167.db2.gz CYRMKVDFUXWFMA-UHFFFAOYSA-N 0 3 373.388 3.167 20 5 FGBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268962166 496836738 /nfs/dbraw/zinc/83/67/38/496836738.db2.gz WCCTUUJIJDRLOP-GFCCVEGCSA-N 0 3 366.414 3.031 20 5 FGBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000191691897 496856641 /nfs/dbraw/zinc/85/66/41/496856641.db2.gz QAUTVSFIVHFKSF-UHFFFAOYSA-N 0 3 358.320 3.215 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000195335465 496893537 /nfs/dbraw/zinc/89/35/37/496893537.db2.gz WMMLSRBUBTUZFG-QGZVFWFLSA-N 0 3 373.457 3.377 20 5 FGBDHN CCN1CCN(c2cccc(NCc3ccc(OC)c([N+](=O)[O-])c3)c2)CC1 ZINC000191883978 496919340 /nfs/dbraw/zinc/91/93/40/496919340.db2.gz CWYOVXFJFIUCAL-UHFFFAOYSA-N 0 3 370.453 3.357 20 5 FGBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000191950750 496941306 /nfs/dbraw/zinc/94/13/06/496941306.db2.gz FKKGMGMGDVEISR-UHFFFAOYSA-N 0 3 371.437 3.116 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248062542 496950283 /nfs/dbraw/zinc/95/02/83/496950283.db2.gz PHFUCKLNIAVPKU-WMZOPIPTSA-N 0 3 354.410 3.470 20 5 FGBDHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCC1 ZINC000269490716 496957692 /nfs/dbraw/zinc/95/76/92/496957692.db2.gz OHGGBFSZFAFJSP-AWEZNQCLSA-N 0 3 371.359 3.314 20 5 FGBDHN CCc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000195690802 496960493 /nfs/dbraw/zinc/96/04/93/496960493.db2.gz XLIYRDXKJZQNTN-IBGZPJMESA-N 0 3 355.438 3.498 20 5 FGBDHN CN1CC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278160826 497023673 /nfs/dbraw/zinc/02/36/73/497023673.db2.gz AIHKPCQTTMSXTJ-QMMMGPOBSA-N 0 3 354.279 3.008 20 5 FGBDHN Cc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248747881 497097685 /nfs/dbraw/zinc/09/76/85/497097685.db2.gz FPZXNTKMMGBOAL-RDTXWAMCSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248753527 497099327 /nfs/dbraw/zinc/09/93/27/497099327.db2.gz FZLUPFCQJXQPEI-CRAIPNDOSA-N 0 3 353.422 3.154 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000248851884 497118387 /nfs/dbraw/zinc/11/83/87/497118387.db2.gz OVVHWWBJAPXSRU-SCLBCKFNSA-N 0 3 373.840 3.499 20 5 FGBDHN CCS[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189483864 497133143 /nfs/dbraw/zinc/13/31/43/497133143.db2.gz PEPOUBOVRWHIJJ-CVEARBPZSA-N 0 3 372.512 3.022 20 5 FGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000249000149 497149585 /nfs/dbraw/zinc/14/95/85/497149585.db2.gz QEOXFFMEXJARGV-KDOFPFPSSA-N 0 3 356.401 3.375 20 5 FGBDHN COc1cc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000270702787 497183312 /nfs/dbraw/zinc/18/33/12/497183312.db2.gz YKTLEZUSBFRWHL-GUYCJALGSA-N 0 3 352.431 3.295 20 5 FGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000270723348 497187703 /nfs/dbraw/zinc/18/77/03/497187703.db2.gz CFOHYUQQEXIPGT-UHFFFAOYSA-N 0 3 367.449 3.166 20 5 FGBDHN COc1cc(CNCC2(O)CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237132217 497196021 /nfs/dbraw/zinc/19/60/21/497196021.db2.gz AXPMOVXWXAREDO-UHFFFAOYSA-N 0 3 372.421 3.187 20 5 FGBDHN CCOC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000189819379 497256132 /nfs/dbraw/zinc/25/61/32/497256132.db2.gz CEOLGVSKUALFNG-IAQYHMDHSA-N 0 3 357.838 3.226 20 5 FGBDHN CCOC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000189819362 497256213 /nfs/dbraw/zinc/25/62/13/497256213.db2.gz CEOLGVSKUALFNG-ABAIWWIYSA-N 0 3 357.838 3.226 20 5 FGBDHN NC(=O)CCC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000271195589 497286611 /nfs/dbraw/zinc/28/66/11/497286611.db2.gz NPRRFZPXSIDBBF-UHFFFAOYSA-N 0 3 357.410 3.332 20 5 FGBDHN CN(C)C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(F)cc1 ZINC000572128057 505896760 /nfs/dbraw/zinc/89/67/60/505896760.db2.gz HBQSODVSUMJAPU-INIZCTEOSA-N 0 3 370.384 3.248 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(Cn3cncn3)CC2)o1 ZINC000189976802 497312413 /nfs/dbraw/zinc/31/24/13/497312413.db2.gz LQNNHJPWURXFIW-UHFFFAOYSA-N 0 3 367.409 3.359 20 5 FGBDHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000237980348 497322985 /nfs/dbraw/zinc/32/29/85/497322985.db2.gz XOBZOKAUINLOSV-UHFFFAOYSA-N 0 3 370.409 3.257 20 5 FGBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000190016586 497326659 /nfs/dbraw/zinc/32/66/59/497326659.db2.gz STGCUFBGCQFELQ-CVEARBPZSA-N 0 3 351.472 3.496 20 5 FGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C1)CCOCC2 ZINC000266610037 497381006 /nfs/dbraw/zinc/38/10/06/497381006.db2.gz HPVDXVGVYSVRLQ-ZDUSSCGKSA-N 0 3 358.398 3.208 20 5 FGBDHN COc1cccc([C@H](C)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000271622428 497402314 /nfs/dbraw/zinc/40/23/14/497402314.db2.gz DFZFTFYAEOULFN-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000271644094 497407719 /nfs/dbraw/zinc/40/77/19/497407719.db2.gz HTTHJISNLLEQPG-ZDUSSCGKSA-N 0 3 373.409 3.291 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000275801090 497435705 /nfs/dbraw/zinc/43/57/05/497435705.db2.gz LBYSGRIQZHSQFP-JSGCOSHPSA-N 0 3 351.834 3.113 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](O)COCc1ccccc1 ZINC000245522464 497439718 /nfs/dbraw/zinc/43/97/18/497439718.db2.gz LWEYRUBWXKLLOG-QFBILLFUSA-N 0 3 358.438 3.474 20 5 FGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506673 497569854 /nfs/dbraw/zinc/56/98/54/497569854.db2.gz YQCWGJBVYYYVQP-KSSFIOAISA-N 0 3 371.412 3.374 20 5 FGBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277041442 497724055 /nfs/dbraw/zinc/72/40/55/497724055.db2.gz TZNBLRNHDQYNBF-NZVBXONLSA-N 0 3 355.822 3.122 20 5 FGBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000194681431 497737960 /nfs/dbraw/zinc/73/79/60/497737960.db2.gz UPEGECIWRBUEEH-UHFFFAOYSA-N 0 3 361.467 3.293 20 5 FGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2cc(F)ccc2C1 ZINC000575138484 505928933 /nfs/dbraw/zinc/92/89/33/505928933.db2.gz CGDASJQLHGCXHF-BLLLJJGKSA-N 0 3 373.384 3.044 20 5 FGBDHN CC[C@@H](C)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000296093924 497918390 /nfs/dbraw/zinc/91/83/90/497918390.db2.gz PTUSCKQQGKDNGU-OAHLLOKOSA-N 0 3 358.442 3.208 20 5 FGBDHN CCN1CCC(n2nccc2NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000578480138 505949665 /nfs/dbraw/zinc/94/96/65/505949665.db2.gz FYGDMISKWFTBTN-AWEZNQCLSA-N 0 3 371.441 3.190 20 5 FGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072499 498010456 /nfs/dbraw/zinc/01/04/56/498010456.db2.gz ZZTHIJQKDIOVPB-YOEHRIQHSA-N 0 3 368.437 3.069 20 5 FGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCSc2ccccc21 ZINC000578549996 505965942 /nfs/dbraw/zinc/96/59/42/505965942.db2.gz KPWYPNYPTYMPJP-DZGCQCFKSA-N 0 3 360.435 3.161 20 5 FGBDHN CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000364618929 498053057 /nfs/dbraw/zinc/05/30/57/498053057.db2.gz BECNNDIKUBMLKB-KBXCAEBGSA-N 0 3 359.451 3.008 20 5 FGBDHN COc1cc(CNC[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000289195730 498054402 /nfs/dbraw/zinc/05/44/02/498054402.db2.gz BBVQFICTNMODGN-RYUDHWBXSA-N 0 3 374.384 3.010 20 5 FGBDHN CC(C)OCCN1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301457213 498118546 /nfs/dbraw/zinc/11/85/46/498118546.db2.gz CIPFTRYDDKEOHM-UHFFFAOYSA-N 0 3 358.442 3.444 20 5 FGBDHN Cc1cccnc1NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000364922060 498210818 /nfs/dbraw/zinc/21/08/18/498210818.db2.gz VKMLWDQYOGUWDT-UHFFFAOYSA-N 0 3 368.437 3.457 20 5 FGBDHN CCCC[C@@H](CN)NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000572600254 506008473 /nfs/dbraw/zinc/00/84/73/506008473.db2.gz IZKXKTAENOVHRJ-ZDUSSCGKSA-N 0 3 373.403 3.207 20 5 FGBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000365153793 498325123 /nfs/dbraw/zinc/32/51/23/498325123.db2.gz PBQUIAMWOBDSBX-DLBZAZTESA-N 0 3 374.485 3.181 20 5 FGBDHN CC[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289870034 498330283 /nfs/dbraw/zinc/33/02/83/498330283.db2.gz VSPYSBGENFDSLO-FGTMMUONSA-N 0 3 368.389 3.467 20 5 FGBDHN CCc1nn(C)c(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301932271 498333987 /nfs/dbraw/zinc/33/39/87/498333987.db2.gz MIOFUXCENGQQMS-SWLSCSKDSA-N 0 3 363.487 3.447 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccncc1OCCN(C)C ZINC000572678000 506027207 /nfs/dbraw/zinc/02/72/07/506027207.db2.gz DYUHEEKHGWMIDU-HNNXBMFYSA-N 0 3 358.442 3.089 20 5 FGBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000575904084 506029844 /nfs/dbraw/zinc/02/98/44/506029844.db2.gz OYOWXKXSKDCTGQ-OAHLLOKOSA-N 0 3 371.437 3.244 20 5 FGBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293690145 498456527 /nfs/dbraw/zinc/45/65/27/498456527.db2.gz KXFPEYGNGKVDGH-GFCCVEGCSA-N 0 3 359.348 3.218 20 5 FGBDHN CC(C)(C)n1ncnc1CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282465763 498523069 /nfs/dbraw/zinc/52/30/69/498523069.db2.gz GDTJQIGDKWWWLG-ZBFHGGJFSA-N 0 3 357.458 3.442 20 5 FGBDHN CC(C)(C)n1ncnc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282465756 498523376 /nfs/dbraw/zinc/52/33/76/498523376.db2.gz GDTJQIGDKWWWLG-GDBMZVCRSA-N 0 3 357.458 3.442 20 5 FGBDHN Cc1nccn1CCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290496907 498574085 /nfs/dbraw/zinc/57/40/85/498574085.db2.gz OYPVVUGMZRXHBT-UHFFFAOYSA-N 0 3 368.441 3.022 20 5 FGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332157444 498582242 /nfs/dbraw/zinc/58/22/42/498582242.db2.gz XVBDHFPMMZDRRI-BRWVUGGUSA-N 0 3 361.486 3.477 20 5 FGBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365747169 498623251 /nfs/dbraw/zinc/62/32/51/498623251.db2.gz OWZMWYFMYFYLLJ-OALUTQOASA-N 0 3 365.433 3.189 20 5 FGBDHN Cc1c(CNC[C@@H](O)COc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000326405963 498842923 /nfs/dbraw/zinc/84/29/23/498842923.db2.gz RKZBAIMKOHHEMP-CQSZACIVSA-N 0 3 350.802 3.086 20 5 FGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000582072857 506127289 /nfs/dbraw/zinc/12/72/89/506127289.db2.gz LRDWFIQXBWKDMT-FCUDFIOSSA-N 0 3 359.470 3.185 20 5 FGBDHN CN1CCC(Oc2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000284021943 499032185 /nfs/dbraw/zinc/03/21/85/499032185.db2.gz NRJICOPBQOLBSC-UHFFFAOYSA-N 0 3 355.438 3.358 20 5 FGBDHN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070243 499042353 /nfs/dbraw/zinc/04/23/53/499042353.db2.gz NBDXWGOXTLDQBX-FZKQIMNGSA-N 0 3 358.442 3.139 20 5 FGBDHN CN1CCC(Oc2ccc(CNCc3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000284180881 499064161 /nfs/dbraw/zinc/06/41/61/499064161.db2.gz XQEJMIRPUCEGQB-UHFFFAOYSA-N 0 3 361.467 3.419 20 5 FGBDHN CC(=O)NCc1ccc([C@@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000364059675 499103872 /nfs/dbraw/zinc/10/38/72/499103872.db2.gz YITKXOLMMIPDOG-SFHVURJKSA-N 0 3 357.410 3.204 20 5 FGBDHN COc1ccc(CNCc2ccccc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000371172262 499295697 /nfs/dbraw/zinc/29/56/97/499295697.db2.gz CQJFRQUHXCQCDT-UHFFFAOYSA-N 0 3 352.394 3.294 20 5 FGBDHN C[C@@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368496344 499301815 /nfs/dbraw/zinc/30/18/15/499301815.db2.gz NWEZPHVAPXWKKX-QAPCUYQASA-N 0 3 353.422 3.089 20 5 FGBDHN O=C1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C2CC2)N1 ZINC000368499157 499302139 /nfs/dbraw/zinc/30/21/39/499302139.db2.gz NRGSBNMPBWCGBC-QFBILLFUSA-N 0 3 355.394 3.002 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368593585 499311779 /nfs/dbraw/zinc/31/17/79/499311779.db2.gz UAERHHSYJGAGAK-PKOBYXMFSA-N 0 3 360.502 3.065 20 5 FGBDHN CC(=O)c1ccc(N(C)C2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000368943732 499349169 /nfs/dbraw/zinc/34/91/69/499349169.db2.gz BGSKNFXMESUKBQ-UHFFFAOYSA-N 0 3 354.410 3.298 20 5 FGBDHN Cc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568153 499419131 /nfs/dbraw/zinc/41/91/31/499419131.db2.gz KCAPDVNQSZATNX-PBHICJAKSA-N 0 3 359.451 3.388 20 5 FGBDHN CN1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369570154 499420034 /nfs/dbraw/zinc/42/00/34/499420034.db2.gz QAKDMZBRXHEYOT-GYHFNDTMSA-N 0 3 371.462 3.479 20 5 FGBDHN Cc1c(NC(=O)CCN2CCC[C@@]3(CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000373183691 499456017 /nfs/dbraw/zinc/45/60/17/499456017.db2.gz SKJKKQZEEIBIOC-IBGZPJMESA-N 0 3 361.442 3.267 20 5 FGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398168295 499566827 /nfs/dbraw/zinc/56/68/27/499566827.db2.gz UEXBJTQKNDFWCT-PBHICJAKSA-N 0 3 357.458 3.442 20 5 FGBDHN CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000410088477 499640661 /nfs/dbraw/zinc/64/06/61/499640661.db2.gz PZNAEGPHTFKORV-KRWDZBQOSA-N 0 3 370.453 3.126 20 5 FGBDHN CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000410088477 499640662 /nfs/dbraw/zinc/64/06/62/499640662.db2.gz PZNAEGPHTFKORV-KRWDZBQOSA-N 0 3 370.453 3.126 20 5 FGBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000410088477 499640664 /nfs/dbraw/zinc/64/06/64/499640664.db2.gz PZNAEGPHTFKORV-KRWDZBQOSA-N 0 3 370.453 3.126 20 5 FGBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000411415882 499737380 /nfs/dbraw/zinc/73/73/80/499737380.db2.gz KLAZLXCTGLCBKW-KRWDZBQOSA-N 0 3 370.409 3.164 20 5 FGBDHN C[C@H](N[C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377990047 499753822 /nfs/dbraw/zinc/75/38/22/499753822.db2.gz HDYLMKNAKIUHND-BBRMVZONSA-N 0 3 371.441 3.170 20 5 FGBDHN CCOc1ccc([C@@H](C)NC[C@@H](CO)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000414202351 499768191 /nfs/dbraw/zinc/76/81/91/499768191.db2.gz ZASIEUDLRXRJOH-PBHICJAKSA-N 0 3 374.437 3.429 20 5 FGBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414220183 499769330 /nfs/dbraw/zinc/76/93/30/499769330.db2.gz JIWQJBNXBJPFCI-VIZZQPHQSA-N 0 3 369.421 3.214 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414317203 499777053 /nfs/dbraw/zinc/77/70/53/499777053.db2.gz OYOHDZDSKMPASZ-KDOFPFPSSA-N 0 3 371.412 3.450 20 5 FGBDHN CC(C)(CN1CCOCC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414551052 499807465 /nfs/dbraw/zinc/80/74/65/499807465.db2.gz JNXBVMVCQXGBRO-UHFFFAOYSA-N 0 3 359.426 3.055 20 5 FGBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000412192139 499832384 /nfs/dbraw/zinc/83/23/84/499832384.db2.gz LDJBOGJSGOTESP-UHFFFAOYSA-N 0 3 363.458 3.328 20 5 FGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000415974953 499936237 /nfs/dbraw/zinc/93/62/37/499936237.db2.gz OWMVAFBCZPXZQZ-UHFFFAOYSA-N 0 3 370.409 3.134 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425001050 499988636 /nfs/dbraw/zinc/98/86/36/499988636.db2.gz CSNXRTHFNBBHRP-GOEBONIOSA-N 0 3 357.435 3.003 20 5 FGBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCN1CCc2ccccc2C1 ZINC000416238848 499990739 /nfs/dbraw/zinc/99/07/39/499990739.db2.gz GCLMTNXZEKMDSL-UHFFFAOYSA-N 0 3 367.449 3.044 20 5 FGBDHN CCc1cccc2c1OCC[C@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573317357 506169596 /nfs/dbraw/zinc/16/95/96/506169596.db2.gz GALLOYFGPCMORI-DOTOQJQBSA-N 0 3 372.421 3.010 20 5 FGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC000425476779 500117182 /nfs/dbraw/zinc/11/71/82/500117182.db2.gz MAJNMYIKQSYPCP-CYBMUJFWSA-N 0 3 363.211 3.320 20 5 FGBDHN CO[C@@H]1C[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000425499247 500125539 /nfs/dbraw/zinc/12/55/39/500125539.db2.gz ZXNMONAGKWYWGQ-ZIAGYGMSSA-N 0 3 355.232 3.405 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425620509 500161835 /nfs/dbraw/zinc/16/18/35/500161835.db2.gz IBYACOUVSZXLCH-QGZVFWFLSA-N 0 3 353.422 3.426 20 5 FGBDHN CC[C@@H](O)CNCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000422086772 500213009 /nfs/dbraw/zinc/21/30/09/500213009.db2.gz PCOKNLUXADBNPS-MRXNPFEDSA-N 0 3 360.410 3.043 20 5 FGBDHN CCCC[C@@H](CN)NC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000422900618 500313687 /nfs/dbraw/zinc/31/36/87/500313687.db2.gz JSUHABJCQFAPIS-LBPRGKRZSA-N 0 3 355.413 3.068 20 5 FGBDHN C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H](N)c1ccccc1 ZINC000423719537 500396781 /nfs/dbraw/zinc/39/67/81/500396781.db2.gz FMSGPGCKWKNPEF-AUUYWEPGSA-N 0 3 353.422 3.422 20 5 FGBDHN CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424021209 500438401 /nfs/dbraw/zinc/43/84/01/500438401.db2.gz AYRQGSFGHXEISZ-FUHWJXTLSA-N 0 3 371.412 3.424 20 5 FGBDHN C[C@H](c1ccccc1)N1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420601206 500476157 /nfs/dbraw/zinc/47/61/57/500476157.db2.gz NBRUYKDIWNEJIX-CQSZACIVSA-N 0 3 368.437 3.331 20 5 FGBDHN O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000432339015 500501444 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3.087 20 5 FGBDHN CCN1CCC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445173561 500952043 /nfs/dbraw/zinc/95/20/43/500952043.db2.gz PCBZJRDQXKKDAL-OAHLLOKOSA-N 0 3 363.461 3.143 20 5 FGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000449272914 500963648 /nfs/dbraw/zinc/96/36/48/500963648.db2.gz XFYJFSXFOBKBFS-MAUKXSAKSA-N 0 3 359.470 3.439 20 5 FGBDHN CCS(=O)(=O)c1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449294480 500969412 /nfs/dbraw/zinc/96/94/12/500969412.db2.gz LRIDYBOZCCCPRT-GFCCVEGCSA-N 0 3 368.480 3.171 20 5 FGBDHN C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449346535 500983837 /nfs/dbraw/zinc/98/38/37/500983837.db2.gz AOFCBGBVSWNPPW-CVEARBPZSA-N 0 3 355.438 3.383 20 5 FGBDHN O=C1COc2ccc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2N1 ZINC000449506594 501020679 /nfs/dbraw/zinc/02/06/79/501020679.db2.gz ZDEBIGAIUSJYNZ-MRXNPFEDSA-N 0 3 367.405 3.305 20 5 FGBDHN CCNc1ccc(C(=O)Nc2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000446172600 501085574 /nfs/dbraw/zinc/08/55/74/501085574.db2.gz OKELCIOWYBWUQB-UHFFFAOYSA-N 0 3 356.426 3.383 20 5 FGBDHN COc1cc(CNCCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1OC ZINC000441206377 501103478 /nfs/dbraw/zinc/10/34/78/501103478.db2.gz JMKXAZPLOAHSOG-UHFFFAOYSA-N 0 3 355.394 3.426 20 5 FGBDHN C[C@H]1CN(CCCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450378201 501105193 /nfs/dbraw/zinc/10/51/93/501105193.db2.gz MQQIOJALDLZXJH-GJZGRUSLSA-N 0 3 358.442 3.444 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000436402225 501120486 /nfs/dbraw/zinc/12/04/86/501120486.db2.gz USRRLWQIGHBYFD-DLBZAZTESA-N 0 3 374.462 3.294 20 5 FGBDHN COc1ccc(OCCN(C)CCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441327941 501121390 /nfs/dbraw/zinc/12/13/90/501121390.db2.gz ZKJWHFUOLKRBRN-UHFFFAOYSA-N 0 3 359.426 3.050 20 5 FGBDHN COc1ccc([C@@H]2CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000441531737 501152359 /nfs/dbraw/zinc/15/23/59/501152359.db2.gz DZIAIPNWJYLERW-MRXNPFEDSA-N 0 3 372.421 3.480 20 5 FGBDHN C[C@H](CCc1ccc2c(c1)OCO2)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446852102 501174253 /nfs/dbraw/zinc/17/42/53/501174253.db2.gz HTWMMBKXWPDEGN-GFCCVEGCSA-N 0 3 368.393 3.311 20 5 FGBDHN Cc1cccc2c1CCC[C@@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596067810 506238900 /nfs/dbraw/zinc/23/89/00/506238900.db2.gz BBUROJCNVGCFDA-QAPCUYQASA-N 0 3 356.422 3.310 20 5 FGBDHN COC1(CO)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000447089157 501203982 /nfs/dbraw/zinc/20/39/82/501203982.db2.gz VIJYWQAWPGAOKX-UHFFFAOYSA-N 0 3 362.451 3.297 20 5 FGBDHN O=C(CCN1CCC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451004391 501238442 /nfs/dbraw/zinc/23/84/42/501238442.db2.gz NALVLLXISKWNDB-MRXNPFEDSA-N 0 3 354.410 3.198 20 5 FGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451480785 501302594 /nfs/dbraw/zinc/30/25/94/501302594.db2.gz QAGZOJBHQQHGNB-GJZGRUSLSA-N 0 3 367.833 3.124 20 5 FGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COc3ccccc3)C2)cc1 ZINC000451557839 501323913 /nfs/dbraw/zinc/32/39/13/501323913.db2.gz FKXRPMGOEZOVCE-MJGOQNOKSA-N 0 3 356.422 3.214 20 5 FGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCCc1ccccc1 ZINC000453418694 501327324 /nfs/dbraw/zinc/32/73/24/501327324.db2.gz CJJAKIDSMPMHGF-IAGOWNOFSA-N 0 3 369.465 3.253 20 5 FGBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000458280614 501410877 /nfs/dbraw/zinc/41/08/77/501410877.db2.gz KUCUPHNSZAEFHZ-UHFFFAOYSA-N 0 3 373.409 3.234 20 5 FGBDHN Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])ccc1CN(C)C ZINC000458296505 501415040 /nfs/dbraw/zinc/41/50/40/501415040.db2.gz YAEXUDZXXGPLHZ-UHFFFAOYSA-N 0 3 356.426 3.040 20 5 FGBDHN C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000458438271 501444106 /nfs/dbraw/zinc/44/41/06/501444106.db2.gz UGRXNFVWIBMNRS-MRXNPFEDSA-N 0 3 374.485 3.043 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456342098 501504288 /nfs/dbraw/zinc/50/42/88/501504288.db2.gz QJWZRLMKRXHTDH-INIZCTEOSA-N 0 3 367.449 3.497 20 5 FGBDHN CC1(C)CCCN1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000457055462 501641847 /nfs/dbraw/zinc/64/18/47/501641847.db2.gz MRQVJEXOXQIHPW-UHFFFAOYSA-N 0 3 359.348 3.218 20 5 FGBDHN C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000457479586 501706774 /nfs/dbraw/zinc/70/67/74/501706774.db2.gz KAOHCKCARLAXAT-HNAYVOBHSA-N 0 3 370.453 3.128 20 5 FGBDHN COCC[C@H]1CCCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000467269358 501752837 /nfs/dbraw/zinc/75/28/37/501752837.db2.gz RNPJBEFSUZOXOI-OAHLLOKOSA-N 0 3 352.431 3.121 20 5 FGBDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596131751 506273736 /nfs/dbraw/zinc/27/37/36/506273736.db2.gz COFMPULCHSWQLD-AWEZNQCLSA-N 0 3 368.437 3.331 20 5 FGBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000481604115 501829316 /nfs/dbraw/zinc/82/93/16/501829316.db2.gz BLLIHJYZROCFPA-UHFFFAOYSA-N 0 3 358.413 3.346 20 5 FGBDHN CCOc1cc(N2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471248702 501967342 /nfs/dbraw/zinc/96/73/42/501967342.db2.gz GFEUONTTYFBXAQ-UHFFFAOYSA-N 0 3 355.438 3.358 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000482141695 501987718 /nfs/dbraw/zinc/98/77/18/501987718.db2.gz KSJNRDGIHSNYJL-IAGOWNOFSA-N 0 3 363.458 3.131 20 5 FGBDHN COC(=O)COc1ccc(CN2CC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475091992 502053747 /nfs/dbraw/zinc/05/37/47/502053747.db2.gz KXVVHDAWATZDCM-AWEZNQCLSA-N 0 3 350.415 3.015 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169736 506291376 /nfs/dbraw/zinc/29/13/76/506291376.db2.gz UMCXYHNWQKAVDK-IRXDYDNUSA-N 0 3 368.437 3.186 20 5 FGBDHN O=c1[n-]ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596169736 506291381 /nfs/dbraw/zinc/29/13/81/506291381.db2.gz UMCXYHNWQKAVDK-IRXDYDNUSA-N 0 3 368.437 3.186 20 5 FGBDHN COC(=O)COc1ccc(CN2CCCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475126301 502069598 /nfs/dbraw/zinc/06/95/98/502069598.db2.gz CVDODSSCFDHVQZ-UHFFFAOYSA-N 0 3 350.415 3.159 20 5 FGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468477862 502071991 /nfs/dbraw/zinc/07/19/91/502071991.db2.gz IKOZFPSNYKKGMK-AWEZNQCLSA-N 0 3 373.375 3.464 20 5 FGBDHN COC(=O)COc1ccc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000482512697 502094937 /nfs/dbraw/zinc/09/49/37/502094937.db2.gz PWVHVJDEAAIJSP-ALCCZGGFSA-N 0 3 370.405 3.292 20 5 FGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CCO)C2CCOCC2)o1 ZINC000461422582 502107529 /nfs/dbraw/zinc/10/75/29/502107529.db2.gz DHCVGMKDILIVBN-QGZVFWFLSA-N 0 3 360.410 3.122 20 5 FGBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000602772608 506294409 /nfs/dbraw/zinc/29/44/09/506294409.db2.gz VFDTWNIJKTVTCJ-UHFFFAOYSA-N 0 3 369.425 3.319 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475301675 502125847 /nfs/dbraw/zinc/12/58/47/502125847.db2.gz JUBOGLHGOBPXNO-GOSISDBHSA-N 0 3 353.422 3.250 20 5 FGBDHN O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[n-]1 ZINC000486709030 502238999 /nfs/dbraw/zinc/23/89/99/502238999.db2.gz GVKNVCMZRUXBCG-UHFFFAOYSA-N 0 3 358.398 3.040 20 5 FGBDHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000486709030 502239002 /nfs/dbraw/zinc/23/90/02/502239002.db2.gz GVKNVCMZRUXBCG-UHFFFAOYSA-N 0 3 358.398 3.040 20 5 FGBDHN Cc1cc(N2CCN(C3CCOCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461963250 502255003 /nfs/dbraw/zinc/25/50/03/502255003.db2.gz HLCVAXQMXYPISO-UHFFFAOYSA-N 0 3 373.375 3.223 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000462163471 502330570 /nfs/dbraw/zinc/33/05/70/502330570.db2.gz KGVZGCBMBHGADL-BEFAXECRSA-N 0 3 353.422 3.154 20 5 FGBDHN Cc1c(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479733973 502360324 /nfs/dbraw/zinc/36/03/24/502360324.db2.gz HEZDUQPUEFYWQB-OAHLLOKOSA-N 0 3 370.453 3.223 20 5 FGBDHN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000479854094 502398554 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O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000521425972 504734090 /nfs/dbraw/zinc/73/40/90/504734090.db2.gz VGZWCIQYXSCJOT-MJGOQNOKSA-N 0 3 374.412 3.181 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(c3ccccc3)CCC2)cc1 ZINC000521613668 504764741 /nfs/dbraw/zinc/76/47/41/504764741.db2.gz WQNPLEHVRWMWJF-UHFFFAOYSA-N 0 3 374.462 3.080 20 5 FGBDHN CCCN(CCN1CCCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000553488736 504929494 /nfs/dbraw/zinc/92/94/94/504929494.db2.gz BJLQFAYNTZRUIM-UHFFFAOYSA-N 0 3 358.442 3.414 20 5 FGBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000556832731 504989283 /nfs/dbraw/zinc/98/92/83/504989283.db2.gz IVWWXSXFAGVOTC-UHFFFAOYSA-N 0 3 368.418 3.167 20 5 FGBDHN C/C=C/c1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000566107891 505083360 /nfs/dbraw/zinc/08/33/60/505083360.db2.gz BRFMBLWSIZIHJE-YZTRRJNXSA-N 0 3 372.421 3.166 20 5 FGBDHN CC[C@@H]1CCCCN1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524947 505114737 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368.437 3.215 20 5 FGBDHN CO[C@@]1(CO)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597186435 506823804 /nfs/dbraw/zinc/82/38/04/506823804.db2.gz DNQRKQQFSWKHRY-SFHVURJKSA-N 0 3 362.451 3.297 20 5 FGBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600471796 506963043 /nfs/dbraw/zinc/96/30/43/506963043.db2.gz UZPPGUDCPXUZNV-CQSZACIVSA-N 0 3 351.834 3.303 20 5 FGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195286 506999875 /nfs/dbraw/zinc/99/98/75/506999875.db2.gz DPHADWAZXNMVFW-LSDHHAIUSA-N 0 3 371.359 3.360 20 5 FGBDHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609833263 507018133 /nfs/dbraw/zinc/01/81/33/507018133.db2.gz FSVFGHUTIGZORH-ZIAGYGMSSA-N 0 3 351.472 3.066 20 5 FGBDHN O=C(Nc1ccccc1)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594504009 507159767 /nfs/dbraw/zinc/15/97/67/507159767.db2.gz MDSZTGHCHPYKAN-QAPCUYQASA-N 0 3 366.421 3.478 20 5 FGBDHN C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C 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0 3 362.739 3.333 20 5 FGBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000598221461 507325126 /nfs/dbraw/zinc/32/51/26/507325126.db2.gz VPGJYHXCMKLHSP-CQSZACIVSA-N 0 3 363.483 3.210 20 5 FGBDHN O=C(CCNCc1ccccc1N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000591727882 507341522 /nfs/dbraw/zinc/34/15/22/507341522.db2.gz CXWAVYMKVGGQSN-UHFFFAOYSA-N 0 3 368.437 3.313 20 5 FGBDHN CNC(=O)CC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000594995789 507347059 /nfs/dbraw/zinc/34/70/59/507347059.db2.gz KOKCZSHGRVOULO-UHFFFAOYSA-N 0 3 353.850 3.424 20 5 FGBDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595001698 507348135 /nfs/dbraw/zinc/34/81/35/507348135.db2.gz VNXHLETVPUKHQW-WBMJQRKESA-N 0 3 366.364 3.450 20 5 FGBDHN COc1ccc([C@H](CO)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595054127 507369891 /nfs/dbraw/zinc/36/98/91/507369891.db2.gz XQOBZNAJKRIREX-ZFWWWQNUSA-N 0 3 360.410 3.039 20 5 FGBDHN CC(=O)NCc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000595062324 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FGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000288487903 499038759 /nfs/dbraw/zinc/03/87/59/499038759.db2.gz RJXGXZUAXGHROJ-DZGCQCFKSA-N 0 3 363.433 3.097 20 5 FGBDHN COCCn1cc2c(n1)[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000368186724 499272364 /nfs/dbraw/zinc/27/23/64/499272364.db2.gz ALSPBPODSAZCHM-YJBOKZPZSA-N 0 3 372.469 3.426 20 5 FGBDHN C[C@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368496345 499301863 /nfs/dbraw/zinc/30/18/63/499301863.db2.gz NWEZPHVAPXWKKX-YJBOKZPZSA-N 0 3 353.422 3.089 20 5 FGBDHN CN1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369568133 499419383 /nfs/dbraw/zinc/41/93/83/499419383.db2.gz KBAUDRWSYGPMIO-XAPGLOBWSA-N 0 3 371.462 3.479 20 5 FGBDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000373175590 499455295 /nfs/dbraw/zinc/45/52/95/499455295.db2.gz AHVQPEDCMIBHMC-CQSZACIVSA-N 0 3 373.434 3.376 20 5 FGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000375728843 499549379 /nfs/dbraw/zinc/54/93/79/499549379.db2.gz DCVIKBDFGSBJLK-RHSMWYFYSA-N 0 3 366.893 3.019 20 5 FGBDHN Cc1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000390967537 499556117 /nfs/dbraw/zinc/55/61/17/499556117.db2.gz PXLFBTFBDKOWMK-QGZVFWFLSA-N 0 3 356.426 3.001 20 5 FGBDHN CSc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000411462854 499743884 /nfs/dbraw/zinc/74/38/84/499743884.db2.gz VKCMZLILLXMBMG-CJNGLKHVSA-N 0 3 362.451 3.407 20 5 FGBDHN CC(C)Oc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)ccc1[N+](=O)[O-] ZINC000412045746 499816542 /nfs/dbraw/zinc/81/65/42/499816542.db2.gz PZOFOPZTMOALCG-INIZCTEOSA-N 0 3 361.442 3.082 20 5 FGBDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412063804 499819201 /nfs/dbraw/zinc/81/92/01/499819201.db2.gz DCNNBALRFGVXAR-MAZHCROVSA-N 0 3 363.458 3.494 20 5 FGBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCN(CC2CCC2)CC1 ZINC000412313369 499843846 /nfs/dbraw/zinc/84/38/46/499843846.db2.gz IPYFFVZJMCKVFC-RBUKOAKNSA-N 0 3 357.454 3.033 20 5 FGBDHN CN(C)CCOc1cc(CNc2nccc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000413211080 499927568 /nfs/dbraw/zinc/92/75/68/499927568.db2.gz HIPKZVSAYBRSSC-UHFFFAOYSA-N 0 3 367.409 3.091 20 5 FGBDHN CNCc1cccc(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000415923530 499929169 /nfs/dbraw/zinc/92/91/69/499929169.db2.gz WJBICGDAAUXPTR-UHFFFAOYSA-N 0 3 371.441 3.246 20 5 FGBDHN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CNCCO3)cc1[N+](=O)[O-] ZINC000415972631 499935706 /nfs/dbraw/zinc/93/57/06/499935706.db2.gz LOKPTPCUAVMYGM-CYBMUJFWSA-N 0 3 370.409 3.268 20 5 FGBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000421359788 500026057 /nfs/dbraw/zinc/02/60/57/500026057.db2.gz GVUPPBVNOBEIMV-KBPBESRZSA-N 0 3 360.410 3.314 20 5 FGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(CC)CC ZINC000429344247 500056495 /nfs/dbraw/zinc/05/64/95/500056495.db2.gz LMACDJGTOUATLP-IAGOWNOFSA-N 0 3 363.458 3.415 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COCc2ccccc21 ZINC000417406911 500064037 /nfs/dbraw/zinc/06/40/37/500064037.db2.gz SBRNGSYADJQWBE-FZKQIMNGSA-N 0 3 355.394 3.173 20 5 FGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425495204 500123548 /nfs/dbraw/zinc/12/35/48/500123548.db2.gz SAFNKBGDBGKLOI-OLZOCXBDSA-N 0 3 371.231 3.179 20 5 FGBDHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc2cccnc12 ZINC000425992110 500222232 /nfs/dbraw/zinc/22/22/32/500222232.db2.gz AOCWQDXSEQNPHK-UHFFFAOYSA-N 0 3 351.410 3.485 20 5 FGBDHN CC(C)c1ccc(CN2CCN(C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000426563631 500289654 /nfs/dbraw/zinc/28/96/54/500289654.db2.gz XKBXXZRTUOAZOF-INIZCTEOSA-N 0 3 361.486 3.403 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000418653626 500301008 /nfs/dbraw/zinc/30/10/08/500301008.db2.gz OPVRFRBGALWFLX-LJQANCHMSA-N 0 3 370.453 3.041 20 5 FGBDHN CCc1ccccc1[C@H](N)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000423969482 500426415 /nfs/dbraw/zinc/42/64/15/500426415.db2.gz DYKAWEQRGPYIKI-SCLBCKFNSA-N 0 3 373.478 3.454 20 5 FGBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000420587886 500475052 /nfs/dbraw/zinc/47/50/52/500475052.db2.gz RDZWPZZSQJHYLM-CYBMUJFWSA-N 0 3 374.466 3.079 20 5 FGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CCO)CC1 ZINC000421024544 500558242 /nfs/dbraw/zinc/55/82/42/500558242.db2.gz XQCACQLUSIOMGZ-KGLIPLIRSA-N 0 3 360.414 3.190 20 5 FGBDHN CNC(=O)c1ccc(Nc2cccc3c2OCC[C@@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000432945862 500595712 /nfs/dbraw/zinc/59/57/12/500595712.db2.gz VBOADHYQDLQURV-INIZCTEOSA-N 0 3 370.409 3.083 20 5 FGBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C ZINC000437176483 500610507 /nfs/dbraw/zinc/61/05/07/500610507.db2.gz MLJGFDIFSIEHOU-AWEZNQCLSA-N 0 3 361.364 3.320 20 5 FGBDHN CCCOc1ncccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447549530 500622400 /nfs/dbraw/zinc/62/24/00/500622400.db2.gz KKTFSARKUKAJMI-CVEARBPZSA-N 0 3 359.430 3.249 20 5 FGBDHN Cc1ccc2[nH]c(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000447563967 500625649 /nfs/dbraw/zinc/62/56/49/500625649.db2.gz TVRRNPKOQUYETH-HOCLYGCPSA-N 0 3 354.414 3.250 20 5 FGBDHN Cc1ccc2nc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563967 500625653 /nfs/dbraw/zinc/62/56/53/500625653.db2.gz TVRRNPKOQUYETH-HOCLYGCPSA-N 0 3 354.414 3.250 20 5 FGBDHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000447583074 500629051 /nfs/dbraw/zinc/62/90/51/500629051.db2.gz YWJZSNYFRFYWNU-DOTOQJQBSA-N 0 3 357.458 3.265 20 5 FGBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H](c3cccs3)N3CCCC3)nc2c1 ZINC000447678370 500643804 /nfs/dbraw/zinc/64/38/04/500643804.db2.gz ZFDNTNJNIGSQPR-OAHLLOKOSA-N 0 3 357.439 3.204 20 5 FGBDHN COc1cc(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528237 506208102 /nfs/dbraw/zinc/20/81/02/506208102.db2.gz YFVZZBPVFWVCSY-APWZRJJASA-N 0 3 359.401 3.278 20 5 FGBDHN 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CC(=O)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491367480 503300569 /nfs/dbraw/zinc/30/05/69/503300569.db2.gz MMVMWMTZBBTKQP-FQEVSTJZSA-N 0 3 353.422 3.285 20 5 FGBDHN Cc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507597782 503329758 /nfs/dbraw/zinc/32/97/58/503329758.db2.gz SWFABZWCXNJHTN-QAPCUYQASA-N 0 3 353.422 3.469 20 5 FGBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000599188994 506366979 /nfs/dbraw/zinc/36/69/79/506366979.db2.gz YVNYEUBYDSSMQX-UHFFFAOYSA-N 0 3 370.453 3.224 20 5 FGBDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503446310 503411285 /nfs/dbraw/zinc/41/12/85/503411285.db2.gz KKPQOKMLNCSRDB-UONOGXRCSA-N 0 3 357.863 3.451 20 5 FGBDHN CCC[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCOC ZINC000499653441 503450332 /nfs/dbraw/zinc/45/03/32/503450332.db2.gz ASSPZYZISRFZRD-KRWDZBQOSA-N 0 3 358.442 3.080 20 5 FGBDHN CC(C)N(CCc1nnnn1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000516299690 503490514 /nfs/dbraw/zinc/49/05/14/503490514.db2.gz AGBRVFIQIMKEOM-UHFFFAOYSA-N 0 3 366.425 3.024 20 5 FGBDHN CCC(C)(C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512271671 503504905 /nfs/dbraw/zinc/50/49/05/503504905.db2.gz QRGHFMVTOJRMNF-UHFFFAOYSA-N 0 3 358.236 3.416 20 5 FGBDHN COc1ccc(-c2ccc(CN[C@H]3CCn4ccnc4C3)o2)c([N+](=O)[O-])c1 ZINC000494413568 503537938 /nfs/dbraw/zinc/53/79/38/503537938.db2.gz NJBNXSOBSLUVJV-ZDUSSCGKSA-N 0 3 368.393 3.165 20 5 FGBDHN C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000508894030 503592189 /nfs/dbraw/zinc/59/21/89/503592189.db2.gz FLCJMRBETCFBBI-DNVCBOLYSA-N 0 3 370.453 3.428 20 5 FGBDHN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000500526836 503641830 /nfs/dbraw/zinc/64/18/30/503641830.db2.gz ZOBHQMVSFLPRQI-HNAYVOBHSA-N 0 3 370.453 3.128 20 5 FGBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000536706545 503690647 /nfs/dbraw/zinc/69/06/47/503690647.db2.gz RHEXBGSGWZJPKN-HNNXBMFYSA-N 0 3 370.453 3.177 20 5 FGBDHN CN(C)CCOc1cccc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000546402005 503735499 /nfs/dbraw/zinc/73/54/99/503735499.db2.gz QGTKCQTWEUMUQX-UHFFFAOYSA-N 0 3 368.393 3.176 20 5 FGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000533141845 503743394 /nfs/dbraw/zinc/74/33/94/503743394.db2.gz OOEZUMFTACODBG-UHFFFAOYSA-N 0 3 371.437 3.000 20 5 FGBDHN Cn1cc(CNCCOc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540509485 503799586 /nfs/dbraw/zinc/79/95/86/503799586.db2.gz XRALFAOJOJAOAM-UHFFFAOYSA-N 0 3 370.384 3.303 20 5 FGBDHN C[C@H](C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000543521887 503801125 /nfs/dbraw/zinc/80/11/25/503801125.db2.gz SQZDUJOSUCJCMV-MJBXVCDLSA-N 0 3 351.422 3.217 20 5 FGBDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000546660867 503828988 /nfs/dbraw/zinc/82/89/88/503828988.db2.gz SBJWGJVIWBOJTP-ZIAGYGMSSA-N 0 3 367.405 3.320 20 5 FGBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000540629674 503838378 /nfs/dbraw/zinc/83/83/78/503838378.db2.gz MVHWTKZOHSMSDM-UHFFFAOYSA-N 0 3 363.458 3.005 20 5 FGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000537245206 503855335 /nfs/dbraw/zinc/85/53/35/503855335.db2.gz UYHWEWRSOGNMSR-UHFFFAOYSA-N 0 3 363.483 3.335 20 5 FGBDHN CCCN(CCN(C)C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544049940 503986825 /nfs/dbraw/zinc/98/68/25/503986825.db2.gz GDCWXIFWJCIZQL-UHFFFAOYSA-N 0 3 359.879 3.141 20 5 FGBDHN O=[N+]([O-])c1cccc(C=Cc2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000547262253 504040249 /nfs/dbraw/zinc/04/02/49/504040249.db2.gz TYPPPYVZOUYUPI-WNJITKBNSA-N 0 3 353.382 3.004 20 5 FGBDHN CCc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000518787159 504063867 /nfs/dbraw/zinc/06/38/67/504063867.db2.gz OWFSVKSGYXZNBT-GOSISDBHSA-N 0 3 359.401 3.329 20 5 FGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000544440480 504136866 /nfs/dbraw/zinc/13/68/66/504136866.db2.gz JJWYIILZMPVOCN-KRWDZBQOSA-N 0 3 353.422 3.453 20 5 FGBDHN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000541739177 504239458 /nfs/dbraw/zinc/23/94/58/504239458.db2.gz YOXYKKMUHLWVGG-UONOGXRCSA-N 0 3 354.472 3.173 20 5 FGBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000541771600 504249784 /nfs/dbraw/zinc/24/97/84/504249784.db2.gz QWTARNRECZBIEM-UHFFFAOYSA-N 0 3 369.421 3.460 20 5 FGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000548126822 504340398 /nfs/dbraw/zinc/34/03/98/504340398.db2.gz ZTHUHKITUDQEJO-MRXNPFEDSA-N 0 3 360.458 3.116 20 5 FGBDHN COc1ccc(C(C)(C)CN[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000519889556 504374103 /nfs/dbraw/zinc/37/41/03/504374103.db2.gz XEJHUTOQRRVLBO-AWEZNQCLSA-N 0 3 371.437 3.498 20 5 FGBDHN C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000535257754 504385739 /nfs/dbraw/zinc/38/57/39/504385739.db2.gz KQBXZGFCORYFBJ-BEFAXECRSA-N 0 3 370.453 3.128 20 5 FGBDHN CSc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000520150228 504418884 /nfs/dbraw/zinc/41/88/84/504418884.db2.gz SZSIWBOIHKWFOF-UHFFFAOYSA-N 0 3 351.472 3.263 20 5 FGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCc1ccccc1O ZINC000542317514 504448748 /nfs/dbraw/zinc/44/87/48/504448748.db2.gz AFAPHRUKPIPGSK-UHFFFAOYSA-N 0 3 357.410 3.112 20 5 FGBDHN CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000548454165 504451701 /nfs/dbraw/zinc/45/17/01/504451701.db2.gz KBVHZTNKQANJOI-HOCLYGCPSA-N 0 3 365.499 3.408 20 5 FGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CCCc2ccccc2)C1 ZINC000535624215 504489114 /nfs/dbraw/zinc/48/91/14/504489114.db2.gz MVAHALGFAKBCKE-IBGZPJMESA-N 0 3 369.465 3.491 20 5 FGBDHN O=C(CNC1(C2CC2)CC1)Nc1cc(NC2(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000542525317 504525851 /nfs/dbraw/zinc/52/58/51/504525851.db2.gz HDWNTOMTHFSLDM-UHFFFAOYSA-N 0 3 370.453 3.420 20 5 FGBDHN C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363290 504542152 /nfs/dbraw/zinc/54/21/52/504542152.db2.gz JWKSWCRASDZGOH-RDJZCZTQSA-N 0 3 368.437 3.079 20 5 FGBDHN Cc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000542666267 504571260 /nfs/dbraw/zinc/57/12/60/504571260.db2.gz WXMKQPUDEQVPRN-LJQANCHMSA-N 0 3 374.462 3.418 20 5 FGBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520966579 504617798 /nfs/dbraw/zinc/61/77/98/504617798.db2.gz VWFQREFPHKHPCW-SFHVURJKSA-N 0 3 357.385 3.301 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000521425973 504733808 /nfs/dbraw/zinc/73/38/08/504733808.db2.gz VGZWCIQYXSCJOT-PKOBYXMFSA-N 0 3 374.412 3.181 20 5 FGBDHN COc1cccc([C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)N(C)C)c1 ZINC000553249797 504863910 /nfs/dbraw/zinc/86/39/10/504863910.db2.gz ZIHYZIJNPUULAJ-AWEZNQCLSA-N 0 3 373.438 3.323 20 5 FGBDHN CN(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000553251562 504864243 /nfs/dbraw/zinc/86/42/43/504864243.db2.gz ALPKMKCTEHUKME-CYBMUJFWSA-N 0 3 357.439 3.184 20 5 FGBDHN COC(=O)c1cc(C)nc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000553567766 504950831 /nfs/dbraw/zinc/95/08/31/504950831.db2.gz KULVGYKDZYHXLJ-BBRMVZONSA-N 0 3 372.425 3.188 20 5 FGBDHN Cn1ccnc1[C@H](N[C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556871992 505001188 /nfs/dbraw/zinc/00/11/88/505001188.db2.gz NWWXFIOLHBIWQQ-VQIMIIECSA-N 0 3 369.469 3.024 20 5 FGBDHN Cc1c([C@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000556916462 505016174 /nfs/dbraw/zinc/01/61/74/505016174.db2.gz XYQSMXWSKGHQCX-JKSUJKDBSA-N 0 3 360.458 3.234 20 5 FGBDHN CC[C@H](N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560571522 505130340 /nfs/dbraw/zinc/13/03/40/505130340.db2.gz WMXXIGRPHLEHBZ-AEFFLSMTSA-N 0 3 360.458 3.316 20 5 FGBDHN CCN(CC)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000557491625 505149113 /nfs/dbraw/zinc/14/91/13/505149113.db2.gz JEGHHTIYHTWPCH-HNNXBMFYSA-N 0 3 362.455 3.250 20 5 FGBDHN CCCN(CCN1CCCCCC1)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000554690177 505241045 /nfs/dbraw/zinc/24/10/45/505241045.db2.gz JIWTUFXHHFLDDM-UHFFFAOYSA-N 0 3 362.474 3.047 20 5 FGBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025155 505288919 /nfs/dbraw/zinc/28/89/19/505288919.db2.gz ISQSQYQTCZKPBA-SLEUVZQESA-N 0 3 351.834 3.051 20 5 FGBDHN CCN(CCN1CCCCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000564113613 505328775 /nfs/dbraw/zinc/32/87/75/505328775.db2.gz NNMHIYQSHBWUJO-UHFFFAOYSA-N 0 3 373.457 3.343 20 5 FGBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561428476 505342955 /nfs/dbraw/zinc/34/29/55/505342955.db2.gz FNVSKJDSHPGWTD-LBPRGKRZSA-N 0 3 359.348 3.218 20 5 FGBDHN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000552045024 505380250 /nfs/dbraw/zinc/38/02/50/505380250.db2.gz WLHZEESVYXUMFB-APWZRJJASA-N 0 3 371.485 3.128 20 5 FGBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000561760740 505428559 /nfs/dbraw/zinc/42/85/59/505428559.db2.gz BROQHZPOLXEQQW-ZENOOKHLSA-N 0 3 357.410 3.143 20 5 FGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2ccc(F)cc2C1 ZINC000561782016 505436354 /nfs/dbraw/zinc/43/63/54/505436354.db2.gz KGNQCRKQCUDNOO-MLGOLLRUSA-N 0 3 373.384 3.044 20 5 FGBDHN CN(C[C@@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000567493904 505479428 /nfs/dbraw/zinc/47/94/28/505479428.db2.gz MJFPGPSNWCZASX-KRWDZBQOSA-N 0 3 357.410 3.254 20 5 FGBDHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555726652 505502436 /nfs/dbraw/zinc/50/24/36/505502436.db2.gz VXKUQJSXHQZDBN-CYBMUJFWSA-N 0 3 357.410 3.407 20 5 FGBDHN CCC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000562071515 505510382 /nfs/dbraw/zinc/51/03/82/505510382.db2.gz CPIMOLPBGUBMCZ-UHFFFAOYSA-N 0 3 360.195 3.479 20 5 FGBDHN Cc1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000596424185 506398211 /nfs/dbraw/zinc/39/82/11/506398211.db2.gz QRSNJDKENMZENH-MRXNPFEDSA-N 0 3 359.401 3.221 20 5 FGBDHN CC(C)(C)Oc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000612030200 506401559 /nfs/dbraw/zinc/40/15/59/506401559.db2.gz BYZKWYOXPDMONZ-INIZCTEOSA-N 0 3 374.437 3.302 20 5 FGBDHN COc1cc(NCC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000596439794 506406059 /nfs/dbraw/zinc/40/60/59/506406059.db2.gz FVPSMRIMNFMTHF-UHFFFAOYSA-N 0 3 374.416 3.462 20 5 FGBDHN CC(C)c1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000603081521 506412943 /nfs/dbraw/zinc/41/29/43/506412943.db2.gz BMEVBVGGASAGAB-UHFFFAOYSA-N 0 3 368.437 3.466 20 5 FGBDHN CSc1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000603083318 506415366 /nfs/dbraw/zinc/41/53/66/506415366.db2.gz KKOSGUOKELWEHD-UHFFFAOYSA-N 0 3 372.450 3.064 20 5 FGBDHN C[C@@H](CN1CCC(C)CC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000596487585 506429792 /nfs/dbraw/zinc/42/97/92/506429792.db2.gz IGSXLPAGYMLXKT-AWEZNQCLSA-N 0 3 360.458 3.019 20 5 FGBDHN COc1ccc([C@H](Cc2ccccc2)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000589291118 506508408 /nfs/dbraw/zinc/50/84/08/506508408.db2.gz RNNRYSLGMXYBPM-IBGZPJMESA-N 0 3 366.421 3.374 20 5 FGBDHN COc1ccc([C@@H](Cc2ccccc2)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000589291120 506508828 /nfs/dbraw/zinc/50/88/28/506508828.db2.gz RNNRYSLGMXYBPM-LJQANCHMSA-N 0 3 366.421 3.374 20 5 FGBDHN COc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000603865334 506641982 /nfs/dbraw/zinc/64/19/82/506641982.db2.gz YQIMRTGNXFNMDE-IRXDYDNUSA-N 0 3 353.422 3.172 20 5 FGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(C)CC1 ZINC000599829558 506661864 /nfs/dbraw/zinc/66/18/64/506661864.db2.gz IHXPUCCWKCDVNI-AWEZNQCLSA-N 0 3 371.441 3.385 20 5 FGBDHN CN(CCN1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599833879 506667150 /nfs/dbraw/zinc/66/71/50/506667150.db2.gz BTLUMFAIMNYEOU-UHFFFAOYSA-N 0 3 357.414 3.093 20 5 FGBDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092611 506769866 /nfs/dbraw/zinc/76/98/66/506769866.db2.gz PBFGMBACMWHTOV-UHFFFAOYSA-N 0 3 369.853 3.170 20 5 FGBDHN COc1ccc(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000609154020 506796165 /nfs/dbraw/zinc/79/61/65/506796165.db2.gz QPAUBCTVIQPSAU-AWEZNQCLSA-N 0 3 371.437 3.463 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000609194172 506808099 /nfs/dbraw/zinc/80/80/99/506808099.db2.gz ASFKIJDFLKLGHI-KRWDZBQOSA-N 0 3 360.385 3.143 20 5 FGBDHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000604460940 506838186 /nfs/dbraw/zinc/83/81/86/506838186.db2.gz GZOOQYDHNSZLOR-NVXWUHKLSA-N 0 3 370.453 3.231 20 5 FGBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000609309952 506844625 /nfs/dbraw/zinc/84/46/25/506844625.db2.gz PYDSCQOMEZGLMJ-KGLIPLIRSA-N 0 3 363.483 3.209 20 5 FGBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600228369 506859554 /nfs/dbraw/zinc/85/95/54/506859554.db2.gz KLEKOGSVIVCBQF-INIZCTEOSA-N 0 3 357.410 3.478 20 5 FGBDHN CC(C)(C(=O)NC[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600228416 506860366 /nfs/dbraw/zinc/86/03/66/506860366.db2.gz LTDKQSXJNUQYDP-GOSISDBHSA-N 0 3 359.470 3.396 20 5 FGBDHN COc1ccc(NC(=O)CN[C@@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000594044382 506902139 /nfs/dbraw/zinc/90/21/39/506902139.db2.gz PGZRYZVPBVYURB-NSHDSACASA-N 0 3 371.384 3.346 20 5 FGBDHN Cc1ccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708099 506980374 /nfs/dbraw/zinc/98/03/74/506980374.db2.gz FNNMBDWLCFIRNI-NRFANRHFSA-N 0 3 369.465 3.020 20 5 FGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198209 507000953 /nfs/dbraw/zinc/00/09/53/507000953.db2.gz TZDRKFNJPJIEHZ-CVEARBPZSA-N 0 3 363.483 3.454 20 5 FGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594198087 507001091 /nfs/dbraw/zinc/00/10/91/507001091.db2.gz ROOVERPHZSQYIH-KGLIPLIRSA-N 0 3 371.359 3.360 20 5 FGBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597606936 507029626 /nfs/dbraw/zinc/02/96/26/507029626.db2.gz ZGYMGDUZVQZXFX-ZDUSSCGKSA-N 0 3 359.348 3.170 20 5 FGBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1Cc1ccccc1 ZINC000609995733 507065606 /nfs/dbraw/zinc/06/56/06/507065606.db2.gz JFVACOUASDFZPC-ZBFHGGJFSA-N 0 3 356.426 3.048 20 5 FGBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000597714148 507071620 /nfs/dbraw/zinc/07/16/20/507071620.db2.gz GUABSQCNCLKOMF-INIZCTEOSA-N 0 3 371.359 3.172 20 5 FGBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2C1 ZINC000610180463 507128289 /nfs/dbraw/zinc/12/82/89/507128289.db2.gz OLOKTQVDNCEXST-UHFFFAOYSA-N 0 3 373.840 3.077 20 5 FGBDHN COc1ccc(OC)c(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000584076322 507138491 /nfs/dbraw/zinc/13/84/91/507138491.db2.gz UIYOPUOMNSFVJF-UHFFFAOYSA-N 0 3 355.394 3.426 20 5 FGBDHN Cc1sc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000598062154 507237801 /nfs/dbraw/zinc/23/78/01/507237801.db2.gz LNIRBEQXKLWDOC-UHFFFAOYSA-N 0 3 374.466 3.002 20 5 FGBDHN COc1ccc(N2C[C@H](NC/C=C/c3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000594967025 507335322 /nfs/dbraw/zinc/33/53/22/507335322.db2.gz VIDCYLUSPLADFM-MQDFFIGUSA-N 0 3 367.405 3.012 20 5 FGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000595006759 507350616 /nfs/dbraw/zinc/35/06/16/507350616.db2.gz JEXXPOAIJVWZKH-CYBMUJFWSA-N 0 3 373.409 3.152 20 5 FGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(C(F)F)cc2)c1 ZINC000591760907 507351196 /nfs/dbraw/zinc/35/11/96/507351196.db2.gz YLGMHSYRCICTLE-HNNXBMFYSA-N 0 3 352.337 3.062 20 5 FGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601390546 507353428 /nfs/dbraw/zinc/35/34/28/507353428.db2.gz GXRYBBPAMCMNSV-HNNXBMFYSA-N 0 3 359.470 3.205 20 5 FGBDHN COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595011751 507353481 /nfs/dbraw/zinc/35/34/81/507353481.db2.gz MGXHIMLGBLMRMB-JSGCOSHPSA-N 0 3 358.394 3.266 20 5 FGBDHN CCSc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591768786 507353689 /nfs/dbraw/zinc/35/36/89/507353689.db2.gz RZNKCHGCXJFRRU-OAHLLOKOSA-N 0 3 362.451 3.236 20 5 FGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598573887 507496052 /nfs/dbraw/zinc/49/60/52/507496052.db2.gz QYJFITMQZCDNFO-HNNXBMFYSA-N 0 3 351.472 3.165 20 5 FGBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCC2CCCCC2)cc1 ZINC000584802653 507513003 /nfs/dbraw/zinc/51/30/03/507513003.db2.gz GIDTWGABVCSXQU-UHFFFAOYSA-N 0 3 354.472 3.319 20 5 FGBDHN CC(C)n1cc(C2=CCCN(CCOc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595516913 507540131 /nfs/dbraw/zinc/54/01/31/507540131.db2.gz PZJLEDXWDCULEZ-UHFFFAOYSA-N 0 3 371.441 3.325 20 5 FGBDHN COc1ccc(F)c(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000598678436 507549342 /nfs/dbraw/zinc/54/93/42/507549342.db2.gz YGKADUUCADNUPF-GFCCVEGCSA-N 0 3 361.373 3.249 20 5 FGBDHN Cc1cc(OC[C@@H](O)CN(C)Cc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000585819136 507646784 /nfs/dbraw/zinc/64/67/84/507646784.db2.gz GMTHACNHJCPMDO-HNNXBMFYSA-N 0 3 364.829 3.428 20 5 FGBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595748422 507662531 /nfs/dbraw/zinc/66/25/31/507662531.db2.gz UAXSQRIPPBGIBD-GHTZIAJQSA-N 0 3 370.449 3.462 20 5 FGBDHN COc1ccc(OCCN2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595786938 507685907 /nfs/dbraw/zinc/68/59/07/507685907.db2.gz CZANTUCWIOGXBV-MAUKXSAKSA-N 0 3 364.442 3.263 20 5 FGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587987471 507724590 /nfs/dbraw/zinc/72/45/90/507724590.db2.gz ZIZNSAYYYGVFGV-AWEZNQCLSA-N 0 3 369.450 3.310 20 5 FGBDHN CC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141787 608551971 /nfs/dbraw/zinc/55/19/71/608551971.db2.gz PICBSMVNYSNPBR-INIZCTEOSA-N 0 3 356.361 3.155 20 5 FGBDHN