smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542003454 1121012012 /nfs/dbraw/zinc/01/20/12/1121012012.db2.gz YDWBENZPLTZNPU-JTQLQIEISA-N 0 1 268.744 3.623 20 5 CHBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCC=CCCC1 ZINC001225490039 1121787671 /nfs/dbraw/zinc/78/76/71/1121787671.db2.gz FGPNPEARYXRUCV-LBPRGKRZSA-N 0 1 263.293 3.568 20 5 CHBDMN CCC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000729679154 1125543148 /nfs/dbraw/zinc/54/31/48/1125543148.db2.gz RGEBZLRVPXFMND-HNNXBMFYSA-N 0 1 299.374 3.929 20 5 CHBDMN CCC[C@H](NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886105216 1125650560 /nfs/dbraw/zinc/65/05/60/1125650560.db2.gz USLXRFQNPDMJLZ-HNNXBMFYSA-N 0 1 285.347 3.621 20 5 CHBDMN Cc1ccc([C@H](C)N[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886550121 1125689999 /nfs/dbraw/zinc/68/99/99/1125689999.db2.gz SLUYATTVMKDVFR-WFASDCNBSA-N 0 1 297.358 3.636 20 5 CHBDMN Cc1cccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000159723563 1126751534 /nfs/dbraw/zinc/75/15/34/1126751534.db2.gz PGVCRDFOLJPGKR-QGZVFWFLSA-N 0 1 297.358 3.635 20 5 CHBDMN Cc1cncc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000189805435 1126935367 /nfs/dbraw/zinc/93/53/67/1126935367.db2.gz NYTBPRBPWMIEFD-UHFFFAOYSA-N 0 1 299.374 3.709 20 5 CHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000270552635 1127057710 /nfs/dbraw/zinc/05/77/10/1127057710.db2.gz BRIKLTGVUIJAFR-ZDUSSCGKSA-N 0 1 285.347 3.573 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCc2ccsc2C1 ZINC000349963819 1127168877 /nfs/dbraw/zinc/16/88/77/1127168877.db2.gz JRRWIXABVJDOOJ-UHFFFAOYSA-N 0 1 288.372 3.523 20 5 CHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1(c2ccccc2)CC1 ZINC000573266166 1127305365 /nfs/dbraw/zinc/30/53/65/1127305365.db2.gz VIPLTOIIPBZYDC-INIZCTEOSA-N 0 1 294.354 3.861 20 5 CHBDMN C[C@H](NCc1ccccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000358058404 1127399275 /nfs/dbraw/zinc/39/92/75/1127399275.db2.gz GLVDOUDQXACSPD-ZDUSSCGKSA-N 0 1 299.374 3.512 20 5 CHBDMN O=[N+]([O-])c1cccc(CN2CCC(c3ccco3)CC2)c1 ZINC000595616418 1127467655 /nfs/dbraw/zinc/46/76/55/1127467655.db2.gz BWYIBBCTJXQOGJ-UHFFFAOYSA-N 0 1 286.331 3.567 20 5 CHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000602086137 1127559887 /nfs/dbraw/zinc/55/98/87/1127559887.db2.gz PMEWAPUJZSNEQT-UHFFFAOYSA-N 0 1 298.327 3.531 20 5 CHBDMN Cc1ncccc1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000598996700 1127650968 /nfs/dbraw/zinc/65/09/68/1127650968.db2.gz YWWUGWJZYZKMLH-UHFFFAOYSA-N 0 1 299.374 3.711 20 5 CHBDMN Cc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000296129722 1127663901 /nfs/dbraw/zinc/66/39/01/1127663901.db2.gz UKBMIEFTIGFHGG-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN CC(C)c1ccc(CN2CCC2(C)C)cc1[N+](=O)[O-] ZINC000539835791 1127946522 /nfs/dbraw/zinc/94/65/22/1127946522.db2.gz VUESTZQSZSIENC-UHFFFAOYSA-N 0 1 262.353 3.703 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1F ZINC000153933130 1128415736 /nfs/dbraw/zinc/41/57/36/1128415736.db2.gz VQOSJCZJBFWEFG-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1nsc(C)c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178563 1128399056 /nfs/dbraw/zinc/39/90/56/1128399056.db2.gz QAJAYHIIOBWBPH-SECBINFHSA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1ccccc1[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037562581 1128620462 /nfs/dbraw/zinc/62/04/62/1128620462.db2.gz SZIFZJOUWBIGJN-LLVKDONJSA-N 0 1 276.361 3.816 20 5 CHBDMN O=[N+]([O-])c1cccc(CNCc2cc3ccccc3o2)c1 ZINC000048068291 1128679026 /nfs/dbraw/zinc/67/90/26/1128679026.db2.gz KGQOTKXJEXTWNO-UHFFFAOYSA-N 0 1 282.299 3.631 20 5 CHBDMN Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc(C)n1 ZINC000577855762 1128693171 /nfs/dbraw/zinc/69/31/71/1128693171.db2.gz UYIVFTPEUAJVHI-AWEZNQCLSA-N 0 1 299.374 3.766 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN1CCCc2sccc2C1 ZINC000609323470 1128701723 /nfs/dbraw/zinc/70/17/23/1128701723.db2.gz QCIJJPAKTPINSR-UHFFFAOYSA-N 0 1 288.372 3.605 20 5 CHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000072555222 1117762509 /nfs/dbraw/zinc/76/25/09/1117762509.db2.gz RVBHUEBHNYAHFJ-CYBMUJFWSA-N 0 1 270.332 3.788 20 5 CHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000430222295 1117892350 /nfs/dbraw/zinc/89/23/50/1117892350.db2.gz VFUQXLLYKSOOQG-HNNXBMFYSA-N 0 1 292.379 3.614 20 5 CHBDMN CCCOc1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397784 1118273329 /nfs/dbraw/zinc/27/33/29/1118273329.db2.gz HMWMVYPNWRLOJC-UHFFFAOYSA-N 0 1 288.303 3.833 20 5 CHBDMN O=[N+]([O-])c1cccc(F)c1CN1C2CCCC1CCC2 ZINC000610370134 1118361955 /nfs/dbraw/zinc/36/19/55/1118361955.db2.gz WZWVERGENLDNMO-UHFFFAOYSA-N 0 1 278.327 3.641 20 5 CHBDMN C[C@@H](NCc1cccc(N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000610420448 1118419791 /nfs/dbraw/zinc/41/97/91/1118419791.db2.gz KDVHHHJJEAJWPB-CYBMUJFWSA-N 0 1 299.374 3.512 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCC3)CC2)cc1F ZINC000308738497 1118684851 /nfs/dbraw/zinc/68/48/51/1118684851.db2.gz QXBTXWKOTAUMEZ-UHFFFAOYSA-N 0 1 278.327 3.500 20 5 CHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCc2occc21 ZINC000584063068 1119469579 /nfs/dbraw/zinc/46/95/79/1119469579.db2.gz GTKQWDIJGGCKEK-LSDHHAIUSA-N 0 1 298.342 3.842 20 5 CHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1c1ccc[nH]1 ZINC000435772599 1119485481 /nfs/dbraw/zinc/48/54/81/1119485481.db2.gz QGIHJHPYHGGXNZ-DANOYGIBSA-N 0 1 297.358 3.773 20 5 CHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccs1 ZINC000066562545 1119913157 /nfs/dbraw/zinc/91/31/57/1119913157.db2.gz PWRDPMZXGYGBEN-LLVKDONJSA-N 0 1 276.361 3.849 20 5 CHBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)nc1C ZINC000414165988 1119923062 /nfs/dbraw/zinc/92/30/62/1119923062.db2.gz MTRQNGZLYIPZJI-AWEZNQCLSA-N 0 1 299.374 3.766 20 5 CHBDMN CC[C@@H](NCc1cc(C)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000328141429 1120163929 /nfs/dbraw/zinc/16/39/29/1120163929.db2.gz BUJQEBGTTOEKJF-MRXNPFEDSA-N 0 1 285.347 3.539 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(F)cc1 ZINC000131775710 1120248993 /nfs/dbraw/zinc/24/89/93/1120248993.db2.gz YZSDSDVJBVNBEF-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN O=[N+]([O-])c1ccsc1Nc1cnn(-c2ccccc2)c1 ZINC000301974134 1120511779 /nfs/dbraw/zinc/51/17/79/1120511779.db2.gz APJYZTGRHMFSNM-UHFFFAOYSA-N 0 1 286.316 3.586 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc2ccc(F)cc2[nH]1 ZINC000543437992 1120524347 /nfs/dbraw/zinc/52/43/47/1120524347.db2.gz GBSZHBVALBPIEJ-UHFFFAOYSA-N 0 1 271.251 3.586 20 5 CHBDMN Cc1ccc(CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000154469778 1120547088 /nfs/dbraw/zinc/54/70/88/1120547088.db2.gz CZPLQEQOLDUBIJ-UHFFFAOYSA-N 0 1 270.332 3.535 20 5 CHBDMN Cc1cc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000044729824 1120730813 /nfs/dbraw/zinc/73/08/13/1120730813.db2.gz VUKYBTQJLPHEEY-GFCCVEGCSA-N 0 1 288.347 3.964 20 5 CHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncccc1Cl ZINC000436473910 1120893032 /nfs/dbraw/zinc/89/30/32/1120893032.db2.gz JBWOYJMYDBFFLT-UHFFFAOYSA-N 0 1 296.735 3.641 20 5 CHBDMN Cc1nc2ccc(COc3cc([N+](=O)[O-])ccc3C)cc2[nH]1 ZINC000342680708 1121146550 /nfs/dbraw/zinc/14/65/50/1121146550.db2.gz UZBQLZYQXVWENL-UHFFFAOYSA-N 0 1 297.314 3.667 20 5 CHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2C2CC2)ccc1Cl ZINC000706685039 1121434572 /nfs/dbraw/zinc/43/45/72/1121434572.db2.gz PBMMDCXTXADJEV-ZDUSSCGKSA-N 0 1 280.755 3.623 20 5 CHBDMN Cc1cccc2ncc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)n21 ZINC001175902838 1121494690 /nfs/dbraw/zinc/49/46/90/1121494690.db2.gz UJRNFHRTQLZWJW-MDZDMXLPSA-N 0 1 294.314 3.634 20 5 CHBDMN Cc1occc1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000067217924 1121669376 /nfs/dbraw/zinc/66/93/76/1121669376.db2.gz VVXYSKWQCKLXAW-UHFFFAOYSA-N 0 1 288.347 3.909 20 5 CHBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000035010015 1122147385 /nfs/dbraw/zinc/14/73/85/1122147385.db2.gz RLFAKKBLQRTPPS-JTQLQIEISA-N 0 1 292.285 3.724 20 5 CHBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000505605134 1122434946 /nfs/dbraw/zinc/43/49/46/1122434946.db2.gz GDCZOMLDKNLAKD-QPJJXVBHSA-N 0 1 288.372 3.802 20 5 CHBDMN Cc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000515260953 1122487281 /nfs/dbraw/zinc/48/72/81/1122487281.db2.gz YPPQNCCWVACLPJ-MRXNPFEDSA-N 0 1 286.375 3.668 20 5 CHBDMN Cc1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000507152241 1122934035 /nfs/dbraw/zinc/93/40/35/1122934035.db2.gz QRSLGGAJXUYWEE-UHFFFAOYSA-N 0 1 284.359 3.844 20 5 CHBDMN C[C@H](c1ccncc1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000183715039 1129089867 /nfs/dbraw/zinc/08/98/67/1129089867.db2.gz OZYXHTYTCBKHLD-HZRUHFOJSA-N 0 1 297.358 3.696 20 5 CHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1Cl ZINC000783560385 1123819459 /nfs/dbraw/zinc/81/94/59/1123819459.db2.gz ZAYGZXRQSLWHRF-CYBMUJFWSA-N 0 1 280.755 3.623 20 5 CHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC1(C)C ZINC000525124836 1124115702 /nfs/dbraw/zinc/11/57/02/1124115702.db2.gz IHLOQNHLSCDOQU-UHFFFAOYSA-N 0 1 292.379 3.756 20 5 CHBDMN CC(C)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000446737377 1124121275 /nfs/dbraw/zinc/12/12/75/1124121275.db2.gz VCQVMJXFHTURLP-LLVKDONJSA-N 0 1 282.771 3.726 20 5 CHBDMN CC1(C)CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000525639696 1124452771 /nfs/dbraw/zinc/45/27/71/1124452771.db2.gz WKVCLICHQWKZTH-UHFFFAOYSA-N 0 1 268.744 3.623 20 5 CHBDMN Cc1cccc(F)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000873063233 1124736758 /nfs/dbraw/zinc/73/67/58/1124736758.db2.gz OCXYRQOIUJHZOF-UHFFFAOYSA-N 0 1 288.322 3.641 20 5 CHBDMN Cc1ccsc1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000051233388 1125351311 /nfs/dbraw/zinc/35/13/11/1125351311.db2.gz OKYCJQHBAHNDMD-UHFFFAOYSA-N 0 1 290.388 3.905 20 5 CHBDMN CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774521 1129451979 /nfs/dbraw/zinc/45/19/79/1129451979.db2.gz KKYSSBGPCWLGBI-UHFFFAOYSA-N 0 1 294.351 3.818 20 5 CHBDMN CNc1ccc(C)cc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000902460306 1130013647 /nfs/dbraw/zinc/01/36/47/1130013647.db2.gz GPAWPAVJYVAJNQ-CYBMUJFWSA-N 0 1 299.374 3.796 20 5 CHBDMN CCNc1ccccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000902523424 1130019799 /nfs/dbraw/zinc/01/97/99/1130019799.db2.gz JRJVQRUIEZCQTE-UHFFFAOYSA-N 0 1 299.374 3.625 20 5 CHBDMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001461846991 1130060095 /nfs/dbraw/zinc/06/00/95/1130060095.db2.gz CXLYGYBDLRBHCU-WDEREUQCSA-N 0 1 282.771 3.869 20 5 CHBDMN CC[C@@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746666078 1130142752 /nfs/dbraw/zinc/14/27/52/1130142752.db2.gz IJMUDUJTCZQUBZ-GFCCVEGCSA-N 0 1 268.744 3.623 20 5 CHBDMN NCc1ncc(-c2ccc3cc4ccccc4cc3c2)cn1 ZINC001240683919 1130415753 /nfs/dbraw/zinc/41/57/53/1130415753.db2.gz WWKXNGKTIXBJNH-UHFFFAOYSA-N 0 1 285.350 3.909 20 5 CHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000844437070 1131563720 /nfs/dbraw/zinc/56/37/20/1131563720.db2.gz SCJROEOKMWIUEV-SMDDNHRTSA-N 0 1 296.317 3.777 20 5 CHBDMN CCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036790524 1131974837 /nfs/dbraw/zinc/97/48/37/1131974837.db2.gz KVOCMIHSZWOMDX-SNVBAGLBSA-N 0 1 270.760 3.869 20 5 CHBDMN Cc1cccc([C@H](C)Oc2cc3[nH]ncc3cc2[N+](=O)[O-])c1 ZINC001230600886 1132198197 /nfs/dbraw/zinc/19/81/97/1132198197.db2.gz JNOJXIHMOCTTGU-NSHDSACASA-N 0 1 297.314 3.920 20 5 CHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CCCCCC1 ZINC001230600887 1132198803 /nfs/dbraw/zinc/19/88/03/1132198803.db2.gz JOQBSMLTCJJMTR-UHFFFAOYSA-N 0 1 275.308 3.573 20 5 CHBDMN C[C@@H]1CCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])[C@@H]1C ZINC001230602200 1132198812 /nfs/dbraw/zinc/19/88/12/1132198812.db2.gz WIJAJQDHQDVUON-GPCCPHFNSA-N 0 1 289.335 3.675 20 5 CHBDMN C[C@@H]1CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C[C@H]1C ZINC001230600788 1132198877 /nfs/dbraw/zinc/19/88/77/1132198877.db2.gz IEDWPWGLDJGSCR-FOGDFJRCSA-N 0 1 289.335 3.675 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2c(F)cccc2Cl)ccc1O ZINC001210401726 1134208733 /nfs/dbraw/zinc/20/87/33/1134208733.db2.gz YIRVWDSHAGVMJR-UHFFFAOYSA-N 0 1 282.658 3.837 20 5 CHBDMN C[C@@H](N[C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000316885951 1135170788 /nfs/dbraw/zinc/17/07/88/1135170788.db2.gz VYNDSWCDHTZGTR-WBMJQRKESA-N 0 1 297.358 3.718 20 5 CHBDMN CCC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CC ZINC001225489882 1135575469 /nfs/dbraw/zinc/57/54/69/1135575469.db2.gz CTMFZBOLSIPFMN-GXFFZTMASA-N 0 1 267.325 3.894 20 5 CHBDMN CCCC[C@@H](CC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491981 1135576631 /nfs/dbraw/zinc/57/66/31/1135576631.db2.gz UGWAWIBXISAYIF-LLVKDONJSA-N 0 1 253.298 3.648 20 5 CHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000020148041 171034914 /nfs/dbraw/zinc/03/49/14/171034914.db2.gz UIYBCFRJLWOKFO-LLVKDONJSA-N 0 1 274.295 3.585 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000035053172 171953760 /nfs/dbraw/zinc/95/37/60/171953760.db2.gz LKAOFDSXBNWNJF-KRWDZBQOSA-N 0 1 282.343 3.836 20 5 CHBDMN Cc1ccc(CN[C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000035273639 172094395 /nfs/dbraw/zinc/09/43/95/172094395.db2.gz DDVHOFOCGQHIBL-AWEZNQCLSA-N 0 1 286.331 3.663 20 5 CHBDMN CC[C@@H](NCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000128507707 260376080 /nfs/dbraw/zinc/37/60/80/260376080.db2.gz OEJHSVQCNOBEHI-MRXNPFEDSA-N 0 1 285.347 3.539 20 5 CHBDMN Cc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000044729509 260648092 /nfs/dbraw/zinc/64/80/92/260648092.db2.gz ASVSTYUGISKSSC-NSHDSACASA-N 0 1 274.320 3.655 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccccn1 ZINC000152366635 261063554 /nfs/dbraw/zinc/06/35/54/261063554.db2.gz GPIOEYGOWKVQQX-STQMWFEESA-N 0 1 285.347 3.710 20 5 CHBDMN Cc1c([C@@H](C)N[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000158518818 261166555 /nfs/dbraw/zinc/16/65/55/261166555.db2.gz YPXAFGPBMXKADJ-CHWSQXEVSA-N 0 1 285.347 3.710 20 5 CHBDMN Cc1c([C@@H](C)N[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000158518548 261166704 /nfs/dbraw/zinc/16/67/04/261166704.db2.gz YPXAFGPBMXKADJ-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000094826955 265260150 /nfs/dbraw/zinc/26/01/50/265260150.db2.gz HQIDPAJRGKQIJN-JTQLQIEISA-N 0 1 292.285 3.724 20 5 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CCC(C)(C)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000471023208 1128085285 /nfs/dbraw/zinc/08/52/85/1128085285.db2.gz SXWHSQOCQWGGMO-UHFFFAOYSA-N 0 1 270.760 3.869 20 5 CHBDMN Cc1cscc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000094877794 1128237098 /nfs/dbraw/zinc/23/70/98/1128237098.db2.gz FDKFGVCNXBWMFZ-UHFFFAOYSA-N 0 1 276.361 3.563 20 5 CHBDMN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000916369079 1128417611 /nfs/dbraw/zinc/41/76/11/1128417611.db2.gz KXGAAPDLFYTUAY-CYBMUJFWSA-N 0 1 282.343 3.714 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000934194815 1128453593 /nfs/dbraw/zinc/45/35/93/1128453593.db2.gz HPPMIMUIMVJBTI-MNOVXSKESA-N 0 1 291.376 3.772 20 5 CHBDMN CC(C)CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042338336 1128573452 /nfs/dbraw/zinc/57/34/52/1128573452.db2.gz UAGRMBHJNFIBGB-UHFFFAOYSA-N 0 1 270.760 3.726 20 5 CHBDMN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1C ZINC000556888224 1128635871 /nfs/dbraw/zinc/63/58/71/1128635871.db2.gz GMUXNWGOIRRWGN-CQSZACIVSA-N 0 1 299.374 3.766 20 5 CHBDMN CC(C)[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609631874 1128721407 /nfs/dbraw/zinc/72/14/07/1128721407.db2.gz BPKRWLMLQKSMLZ-ZDUSSCGKSA-N 0 1 294.370 3.992 20 5 CHBDMN CC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000609766728 1128725182 /nfs/dbraw/zinc/72/51/82/1128725182.db2.gz JUDJGRRCFURRHG-LLVKDONJSA-N 0 1 268.382 3.668 20 5 CHBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCC1 ZINC000610001965 1128734161 /nfs/dbraw/zinc/73/41/61/1128734161.db2.gz POGUFZQCLDICTH-UHFFFAOYSA-N 0 1 292.379 3.756 20 5 CHBDMN CC[C@@H]1CCCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000610080161 1128738243 /nfs/dbraw/zinc/73/82/43/1128738243.db2.gz KFWQRTQAMTVOHN-GFCCVEGCSA-N 0 1 268.382 3.811 20 5 CHBDMN C[C@H]1C[C@H](C)CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609704833 1118000911 /nfs/dbraw/zinc/00/09/11/1118000911.db2.gz QVYWFUWIZAGBRX-QWRGUYRKSA-N 0 1 282.771 3.726 20 5 CHBDMN C=Cc1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397772 1118273382 /nfs/dbraw/zinc/27/33/82/1118273382.db2.gz GZZOSHDUZJVLAW-UHFFFAOYSA-N 0 1 256.261 3.687 20 5 CHBDMN Cc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000610340765 1118333509 /nfs/dbraw/zinc/33/35/09/1118333509.db2.gz VZZPZJATFWHMFF-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3[nH]2)c(Cl)c1 ZINC000544055449 1119441781 /nfs/dbraw/zinc/44/17/81/1119441781.db2.gz QXYHPLPDCVWCKD-UHFFFAOYSA-N 0 1 291.669 3.931 20 5 CHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCc2occc21 ZINC000584063067 1119469425 /nfs/dbraw/zinc/46/94/25/1119469425.db2.gz GTKQWDIJGGCKEK-HUUCEWRRSA-N 0 1 298.342 3.842 20 5 CHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C/Cl ZINC000903446561 1120109176 /nfs/dbraw/zinc/10/91/76/1120109176.db2.gz YLMORZGXYMFHBG-SWTNXBIASA-N 0 1 286.784 3.720 20 5 CHBDMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000525636065 1120385210 /nfs/dbraw/zinc/38/52/10/1120385210.db2.gz DBJLNJRZWIYSKV-WDEREUQCSA-N 0 1 282.771 3.869 20 5 CHBDMN C[C@H](NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000020090654 1120492172 /nfs/dbraw/zinc/49/21/72/1120492172.db2.gz YQBJVMMZIYBROF-NSHDSACASA-N 0 1 274.295 3.585 20 5 CHBDMN Cc1ccc2nc(CNc3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000499831392 1120535915 /nfs/dbraw/zinc/53/59/15/1120535915.db2.gz QGBODYJXGRWIEW-UHFFFAOYSA-N 0 1 296.330 3.700 20 5 CHBDMN Cc1cc(N2CCC(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302167159 1120649464 /nfs/dbraw/zinc/64/94/64/1120649464.db2.gz LBABVHLHAMWZMH-UHFFFAOYSA-N 0 1 285.347 3.688 20 5 CHBDMN Nc1ccc2cc3ccc(NC4=CCOCC4)cc3nc2c1 ZINC001176148387 1121551661 /nfs/dbraw/zinc/55/16/61/1121551661.db2.gz AUIFTBOPEQQMRM-UHFFFAOYSA-N 0 1 291.354 3.686 20 5 CHBDMN CCc1ccc2nc(-c3ccc([N+](=O)[O-])s3)[nH]c2c1 ZINC000542946447 1121730422 /nfs/dbraw/zinc/73/04/22/1121730422.db2.gz QFTIYPBLIAGMLX-UHFFFAOYSA-N 0 1 273.317 3.762 20 5 CHBDMN COc1cc(CN[C@@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000619783805 1129013774 /nfs/dbraw/zinc/01/37/74/1129013774.db2.gz ZFMYYQPJRAKBHF-JTQLQIEISA-N 0 1 292.360 3.516 20 5 CHBDMN C[C@H](NCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000436308457 1122538130 /nfs/dbraw/zinc/53/81/30/1122538130.db2.gz PRQOQYMHTZWENQ-JTQLQIEISA-N 0 1 294.351 3.943 20 5 CHBDMN CC[C@@H]1C[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001192079680 1122627676 /nfs/dbraw/zinc/62/76/76/1122627676.db2.gz CEEJCXXHHJZHQH-MNOVXSKESA-N 0 1 282.771 3.726 20 5 CHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc2ccccc2[nH]1 ZINC000775626735 1122829994 /nfs/dbraw/zinc/82/99/94/1122829994.db2.gz KJTMZFJCLJZVHO-LBPRGKRZSA-N 0 1 295.342 3.927 20 5 CHBDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000294396801 1123151816 /nfs/dbraw/zinc/15/18/16/1123151816.db2.gz KUMQFQPRRKYKGN-ZDUSSCGKSA-N 0 1 276.361 3.897 20 5 CHBDMN Cc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000020526199 1123647322 /nfs/dbraw/zinc/64/73/22/1123647322.db2.gz LLGNYDBCZIMOIL-ZDUSSCGKSA-N 0 1 270.332 3.754 20 5 CHBDMN CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000522712684 1123719674 /nfs/dbraw/zinc/71/96/74/1123719674.db2.gz 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1124667726 /nfs/dbraw/zinc/66/77/26/1124667726.db2.gz LIZHSYNVLIPDHA-NXEZZACHSA-N 0 1 286.372 3.526 20 5 CHBDMN Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000879749064 1125229396 /nfs/dbraw/zinc/22/93/96/1125229396.db2.gz STTFSRGMALDIRG-KRWDZBQOSA-N 0 1 297.358 3.635 20 5 CHBDMN Cc1cncc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000879749064 1125229403 /nfs/dbraw/zinc/22/94/03/1125229403.db2.gz STTFSRGMALDIRG-KRWDZBQOSA-N 0 1 297.358 3.635 20 5 CHBDMN CC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037913722 1129290515 /nfs/dbraw/zinc/29/05/15/1129290515.db2.gz NNKHXIBLCIVLKW-LLVKDONJSA-N 0 1 268.744 3.623 20 5 CHBDMN CC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037913722 1129290519 /nfs/dbraw/zinc/29/05/19/1129290519.db2.gz NNKHXIBLCIVLKW-LLVKDONJSA-N 0 1 268.744 3.623 20 5 CHBDMN Cc1ccccc1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774419 1129451723 /nfs/dbraw/zinc/45/17/23/1129451723.db2.gz LZQLVSWEYUFZCE-UHFFFAOYSA-N 0 1 288.322 3.674 20 5 CHBDMN 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C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000050343586 1119115666 /nfs/dbraw/zinc/11/56/66/1119115666.db2.gz CCLMRBXEGULJML-SNVBAGLBSA-N 0 1 262.334 3.507 20 5 CHBDMN Cc1cc(F)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050576856 1119139874 /nfs/dbraw/zinc/13/98/74/1119139874.db2.gz QWSOGFLQPOJSGY-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccco1)C(C)C ZINC000350021406 1119494270 /nfs/dbraw/zinc/49/42/70/1119494270.db2.gz WSHJILOUVZRCBE-UHFFFAOYSA-N 0 1 288.347 3.907 20 5 CHBDMN Cc1ncc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000179136769 1119597646 /nfs/dbraw/zinc/59/76/46/1119597646.db2.gz MGKXVVGQVSFTGD-NXEZZACHSA-N 0 1 291.376 3.772 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN(C1CC1)[C@H]1C=CCCC1 ZINC000179242466 1119624407 /nfs/dbraw/zinc/62/44/07/1119624407.db2.gz DRNKSTSMMWDOGR-AWEZNQCLSA-N 0 1 272.348 3.668 20 5 CHBDMN Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414296443 1119970602 /nfs/dbraw/zinc/97/06/02/1119970602.db2.gz 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Cc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000716055105 1132004120 /nfs/dbraw/zinc/00/41/20/1132004120.db2.gz NNJGBOPHYLFIBB-GHMZBOCLSA-N 0 1 291.376 3.772 20 5 CHBDMN C[C@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C1CC1 ZINC001229791840 1132118060 /nfs/dbraw/zinc/11/80/60/1132118060.db2.gz OLGSEPXRNGILEZ-JTQLQIEISA-N 0 1 296.322 3.829 20 5 CHBDMN CC[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797586 1132119473 /nfs/dbraw/zinc/11/94/73/1132119473.db2.gz HMZVGSLSGUKJPW-JTQLQIEISA-N 0 1 284.311 3.829 20 5 CHBDMN CCCC[C@@H](CC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230593811 1132197003 /nfs/dbraw/zinc/19/70/03/1132197003.db2.gz BGQFHKXPWBLBEW-LLVKDONJSA-N 0 1 277.324 3.819 20 5 CHBDMN Cc1ccccc1[C@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600774 1132198558 /nfs/dbraw/zinc/19/85/58/1132198558.db2.gz HWYJMRZPFWNWJP-NSHDSACASA-N 0 1 297.314 3.920 20 5 CHBDMN CC(C)C(Oc1cc2[nH]ncc2cc1[N+](=O)[O-])C(C)C ZINC001230601333 1132198679 /nfs/dbraw/zinc/19/86/79/1132198679.db2.gz MINGTYFPRREBKR-UHFFFAOYSA-N 0 1 277.324 3.531 20 5 CHBDMN Cc1ccc2cccc(Nc3ccc(O)c([N+](=O)[O-])c3)c2n1 ZINC001210401164 1134209528 /nfs/dbraw/zinc/20/95/28/1134209528.db2.gz QKTUYEUGYNEBAO-UHFFFAOYSA-N 0 1 295.298 3.901 20 5 CHBDMN CCC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC001225489898 1135575205 /nfs/dbraw/zinc/57/52/05/1135575205.db2.gz CXHMYJJJFIPXQY-CYBMUJFWSA-N 0 1 267.325 3.894 20 5 CHBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225491246 1135576075 /nfs/dbraw/zinc/57/60/75/1135576075.db2.gz NQKIXNGDZCOPNA-MRVPVSSYSA-N 0 1 295.241 3.719 20 5 CHBDMN CCC[C@@H](C)[C@H](CC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225494082 1135577439 /nfs/dbraw/zinc/57/74/39/1135577439.db2.gz LPEOMNYTZVTFDT-MFKMUULPSA-N 0 1 267.325 3.894 20 5 CHBDMN Cc1cccc2nc(O[C@H](C)c3ccccc3[N+](=O)[O-])[nH]c21 ZINC001227268380 1135814519 /nfs/dbraw/zinc/81/45/19/1135814519.db2.gz OOLYBLBKUPDBAL-LLVKDONJSA-N 0 1 297.314 3.920 20 5 CHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000020123923 171005536 /nfs/dbraw/zinc/00/55/36/171005536.db2.gz YBTGRIZLUOSPLI-OLZOCXBDSA-N 0 1 285.347 3.710 20 5 CHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000020128015 171014748 /nfs/dbraw/zinc/01/47/48/171014748.db2.gz WSWYVZMKQGLVSP-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN Cc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000037668353 260115492 /nfs/dbraw/zinc/11/54/92/260115492.db2.gz XTPFYXSBCNHGHC-NSHDSACASA-N 0 1 274.320 3.655 20 5 CHBDMN Cc1c([C@@H](C)NCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000153933251 261085510 /nfs/dbraw/zinc/08/55/10/261085510.db2.gz RIPZOXQOMBVPSU-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN CCN(Cc1ccccn1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000161123187 261237771 /nfs/dbraw/zinc/23/77/71/261237771.db2.gz FMTMYCHAYMPHFI-ZDUSSCGKSA-N 0 1 285.347 3.573 20 5 CHBDMN CC[C@@]1(C)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525795588 262347954 /nfs/dbraw/zinc/34/79/54/262347954.db2.gz JJAJWCGIPFFOJN-INIZCTEOSA-N 0 1 292.379 3.616 20 5 CHBDMN CC[C@@]1(C)CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525795588 262347956 /nfs/dbraw/zinc/34/79/56/262347956.db2.gz JJAJWCGIPFFOJN-INIZCTEOSA-N 0 1 292.379 3.616 20 5 CHBDMN Cc1cc(N2CCC=C(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362650137 267029569 /nfs/dbraw/zinc/02/95/69/267029569.db2.gz TZGKBDMQZSDHPO-UHFFFAOYSA-N 0 1 287.294 3.515 20 5 CHBDMN Cc1ncc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000123698434 328305632 /nfs/dbraw/zinc/30/56/32/328305632.db2.gz QEWRSCYJCGHETG-JTQLQIEISA-N 0 1 291.376 3.519 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN[C@H](c1cccs1)C1CC1 ZINC000049956815 328379631 /nfs/dbraw/zinc/37/96/31/328379631.db2.gz KDCDHGFXKWYRAT-HNNXBMFYSA-N 0 1 288.372 3.897 20 5 CHBDMN C[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000231751162 327010576 /nfs/dbraw/zinc/01/05/76/327010576.db2.gz QNPDQYSTWPICQP-ZETCQYMHSA-N 0 1 296.676 3.679 20 5 CHBDMN Cc1ccc2nc(-c3csc([N+](=O)[O-])c3)[nH]c2c1C ZINC000536389334 327234890 /nfs/dbraw/zinc/23/48/90/327234890.db2.gz BWVMONFCFGLNJG-UHFFFAOYSA-N 0 1 273.317 3.816 20 5 CHBDMN Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1C ZINC000536389253 327234923 /nfs/dbraw/zinc/23/49/23/327234923.db2.gz AYTYPICURNONIF-UHFFFAOYSA-N 0 1 267.288 3.755 20 5 CHBDMN Cc1cc(C)c(CNCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000048068906 327277263 /nfs/dbraw/zinc/27/72/63/327277263.db2.gz WWBWVTZKGPNLLN-UHFFFAOYSA-N 0 1 284.359 3.810 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCC3)C2)c(Cl)c1 ZINC000182230193 329241101 /nfs/dbraw/zinc/24/11/01/329241101.db2.gz QXSXLDLOMWPSJA-UHFFFAOYSA-N 0 1 280.755 3.624 20 5 CHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC2(CCC2)C1 ZINC000119331989 330373184 /nfs/dbraw/zinc/37/31/84/330373184.db2.gz ADEOYWMUEOOBNN-UHFFFAOYSA-N 0 1 280.755 3.624 20 5 CHBDMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000119706043 330378969 /nfs/dbraw/zinc/37/89/69/330378969.db2.gz HPYFMPJJCXFDTC-BZNIZROVSA-N 0 1 298.342 3.639 20 5 CHBDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000166565731 331307463 /nfs/dbraw/zinc/30/74/63/331307463.db2.gz QBAAKKLDBBGGQJ-HNNXBMFYSA-N 0 1 288.322 3.975 20 5 CHBDMN COc1cc(CN2CCCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464676493 331364483 /nfs/dbraw/zinc/36/44/83/331364483.db2.gz HQTTYMWQFSYHGG-LLVKDONJSA-N 0 1 296.342 3.507 20 5 CHBDMN C[C@@H]1c2ccccc2CCN1Cc1ccccc1[N+](=O)[O-] ZINC000513702799 333033714 /nfs/dbraw/zinc/03/37/14/333033714.db2.gz NDFFTRFWYDFIAK-CYBMUJFWSA-N 0 1 282.343 3.714 20 5 CHBDMN CCCc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000187128763 333168090 /nfs/dbraw/zinc/16/80/90/333168090.db2.gz CFSMITCQWUVWJU-UHFFFAOYSA-N 0 1 284.359 3.837 20 5 CHBDMN Cc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000225781288 333240485 /nfs/dbraw/zinc/24/04/85/333240485.db2.gz TWDHIWHJRAEYKK-UHFFFAOYSA-N 0 1 288.322 3.641 20 5 CHBDMN CC[C@@H]1CCCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000524607957 333368485 /nfs/dbraw/zinc/36/84/85/333368485.db2.gz CCAXXZPISCGOGV-CQSZACIVSA-N 0 1 292.379 3.758 20 5 CHBDMN Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000541190139 333764501 /nfs/dbraw/zinc/76/45/01/333764501.db2.gz PBRLDHFNBYSJMD-OKILXGFUSA-N 0 1 297.358 3.544 20 5 CHBDMN Cc1nsc(C)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567286423 334701119 /nfs/dbraw/zinc/70/11/19/334701119.db2.gz KNSXCTHPMLGRIV-SECBINFHSA-N 0 1 291.376 3.519 20 5 CHBDMN CC[C@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000130169786 522966389 /nfs/dbraw/zinc/96/63/89/522966389.db2.gz BAFYBSJDYCFYNG-MRXNPFEDSA-N 0 1 285.347 3.573 20 5 CHBDMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290300082 523122495 /nfs/dbraw/zinc/12/24/95/523122495.db2.gz BEBUIMUQFRQEKG-INIZCTEOSA-N 0 1 299.374 3.881 20 5 CHBDMN C[C@@H]1CC[C@@H](C)[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491566 1135576543 /nfs/dbraw/zinc/57/65/43/1135576543.db2.gz QNDRPLXJYJNPHS-BREBYQMCSA-N 0 1 265.309 3.504 20 5 CHBDMN CC1=C(c2ccco2)CN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000338340933 1126735953 /nfs/dbraw/zinc/73/59/53/1126735953.db2.gz GKMAEFVPUPFADZ-UHFFFAOYSA-N 0 1 298.342 3.867 20 5 CHBDMN CCN(Cc1ccncc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000267916295 1127008394 /nfs/dbraw/zinc/00/83/94/1127008394.db2.gz PJRDCWNNNOOQLR-CYBMUJFWSA-N 0 1 285.347 3.573 20 5 CHBDMN CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000348898598 1127133300 /nfs/dbraw/zinc/13/33/00/1127133300.db2.gz YGBKWXPTPRFBLP-FNORWQNLSA-N 0 1 297.358 3.525 20 5 CHBDMN CCc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000058876546 1127397384 /nfs/dbraw/zinc/39/73/84/1127397384.db2.gz VDMYUECWTIKVMX-UHFFFAOYSA-N 0 1 284.359 3.789 20 5 CHBDMN CCc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000058876546 1127397389 /nfs/dbraw/zinc/39/73/89/1127397389.db2.gz VDMYUECWTIKVMX-UHFFFAOYSA-N 0 1 284.359 3.789 20 5 CHBDMN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358366238 1127417773 /nfs/dbraw/zinc/41/77/73/1127417773.db2.gz KDWNTMFNGPOUTF-YVEFUNNKSA-N 0 1 297.358 3.792 20 5 CHBDMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358366237 1127417852 /nfs/dbraw/zinc/41/78/52/1127417852.db2.gz KDWNTMFNGPOUTF-SJKOYZFVSA-N 0 1 297.358 3.792 20 5 CHBDMN Cc1ccncc1[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503244 1127419150 /nfs/dbraw/zinc/41/91/50/1127419150.db2.gz SVDNQKJPLHIBON-BLLLJJGKSA-N 0 1 297.358 3.636 20 5 CHBDMN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595090780 1127454282 /nfs/dbraw/zinc/45/42/82/1127454282.db2.gz QYLIPNWWCQRPQN-DIFFPNOSSA-N 0 1 298.342 3.639 20 5 CHBDMN CC(C)[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493382860 1128140453 /nfs/dbraw/zinc/14/04/53/1128140453.db2.gz IWCDEHJFFGKEHV-LLVKDONJSA-N 0 1 282.771 3.726 20 5 CHBDMN Cc1cscc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094877193 1128245878 /nfs/dbraw/zinc/24/58/78/1128245878.db2.gz VNEACNVXBODKTJ-LLVKDONJSA-N 0 1 276.361 3.816 20 5 CHBDMN C[C@H](CN1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001327187823 1128345098 /nfs/dbraw/zinc/34/50/98/1128345098.db2.gz NGJAEKXTKABHSZ-LLVKDONJSA-N 0 1 262.353 3.593 20 5 CHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000037487229 1128562717 /nfs/dbraw/zinc/56/27/17/1128562717.db2.gz RMNQPXIBHPTOLU-NSHDSACASA-N 0 1 274.295 3.585 20 5 CHBDMN CC1(C)CN(Cc2csc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000557055457 1128663828 /nfs/dbraw/zinc/66/38/28/1128663828.db2.gz NEUDQBYXNCUSSX-NEPJUHHUSA-N 0 1 280.393 3.667 20 5 CHBDMN CCOc1cc(C[N@H+]2CCCC23CCC3)ccc1[N+](=O)[O-] ZINC000444776752 1117930484 /nfs/dbraw/zinc/93/04/84/1117930484.db2.gz DBQXHUDGLHQRGQ-UHFFFAOYSA-N 0 1 290.363 3.512 20 5 CHBDMN Cc1ccc(CNC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000068979795 1128814996 /nfs/dbraw/zinc/81/49/96/1128814996.db2.gz PKTAIXJWEZIJCV-UHFFFAOYSA-N 0 1 282.343 3.682 20 5 CHBDMN Cc1ncc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000179136740 1119597477 /nfs/dbraw/zinc/59/74/77/1119597477.db2.gz MGKXVVGQVSFTGD-VHSXEESVSA-N 0 1 291.376 3.772 20 5 CHBDMN CC[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1F ZINC000612803938 1119827681 /nfs/dbraw/zinc/82/76/81/1119827681.db2.gz NEDGNCVKCPZNGS-VIFPVBQESA-N 0 1 294.248 3.555 20 5 CHBDMN Cc1occc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000414367243 1120001458 /nfs/dbraw/zinc/00/14/58/1120001458.db2.gz DHNVNTCITFUWFN-UHFFFAOYSA-N 0 1 288.347 3.907 20 5 CHBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C)c1 ZINC001167717590 1120176213 /nfs/dbraw/zinc/17/62/13/1120176213.db2.gz YGGIJPWHCJRSQF-UHFFFAOYSA-N 0 1 286.331 3.635 20 5 CHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](CC2CC2)C1 ZINC000584543426 1120232867 /nfs/dbraw/zinc/23/28/67/1120232867.db2.gz JYUWKJMSSVPAGX-GFCCVEGCSA-N 0 1 294.782 3.870 20 5 CHBDMN Cc1occc1CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254988156 1120306770 /nfs/dbraw/zinc/30/67/70/1120306770.db2.gz SOWCGWLCUHDENU-ALCCZGGFSA-N 0 1 286.331 3.641 20 5 CHBDMN Cc1cccc2nc(CNc3ccc([N+](=O)[O-])c(C)c3)[nH]c21 ZINC000301858759 1120416179 /nfs/dbraw/zinc/41/61/79/1120416179.db2.gz CZPMXSHKCPKFKZ-UHFFFAOYSA-N 0 1 296.330 3.700 20 5 CHBDMN Cc1ccc(NCc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])c1 ZINC000301899657 1120444570 /nfs/dbraw/zinc/44/45/70/1120444570.db2.gz UBEHDTAKVZICGB-UHFFFAOYSA-N 0 1 296.330 3.700 20 5 CHBDMN Cc1ccc(F)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922537224 1120547950 /nfs/dbraw/zinc/54/79/50/1120547950.db2.gz CDEALVQPPGNKCU-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1cc(N2CCC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187001 1120650389 /nfs/dbraw/zinc/65/03/89/1120650389.db2.gz PUSHETATCDCRQM-LLVKDONJSA-N 0 1 285.347 3.688 20 5 CHBDMN O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000313490470 1120741284 /nfs/dbraw/zinc/74/12/84/1120741284.db2.gz HHHLPKIFNIFXCJ-TXEJJXNPSA-N 0 1 294.782 3.870 20 5 CHBDMN CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000343979483 1121029666 /nfs/dbraw/zinc/02/96/66/1121029666.db2.gz NHZJAMIEMQLFRY-DOMZBBRYSA-N 0 1 285.347 3.792 20 5 CHBDMN O=[N+]([O-])c1cc(-c2nc3ccc(F)cc3[nH]2)ccc1Cl ZINC000261367269 1121115609 /nfs/dbraw/zinc/11/56/09/1121115609.db2.gz MNYWZXDUQLROBV-UHFFFAOYSA-N 0 1 291.669 3.931 20 5 CHBDMN Cc1cc(Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2n1 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3.893 20 5 CHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000551307575 334245980 /nfs/dbraw/zinc/24/59/80/334245980.db2.gz RPENSCGBTLEPLK-RTXFEEFZSA-N 0 1 296.342 3.535 20 5 CHBDMN CC1(C)CC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000384972612 336135240 /nfs/dbraw/zinc/13/52/40/336135240.db2.gz CDRPMRHNZYVZGT-GFCCVEGCSA-N 0 1 268.744 3.526 20 5 CHBDMN CC1(C)CC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000384972624 336135375 /nfs/dbraw/zinc/13/53/75/336135375.db2.gz CDRPMRHNZYVZGT-LBPRGKRZSA-N 0 1 268.744 3.526 20 5 CHBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000076901950 519322534 /nfs/dbraw/zinc/32/25/34/519322534.db2.gz OPGKUHHNNBHLEM-UHFFFAOYSA-N 0 1 288.322 3.759 20 5 CHBDMN Cc1ccc(CN[C@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061361472 524604729 /nfs/dbraw/zinc/60/47/29/524604729.db2.gz XNORCMSLDNHDCB-LLVKDONJSA-N 0 1 276.361 3.816 20 5 CHBDMN Cc1ccc([C@@H](C)NCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000020473284 525734527 /nfs/dbraw/zinc/73/45/27/525734527.db2.gz 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Cc1cnc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000926954679 1128205999 /nfs/dbraw/zinc/20/59/99/1128205999.db2.gz MRPXMCDFEBOIBU-CQSZACIVSA-N 0 1 299.374 3.766 20 5 CHBDMN CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000174846624 1128506883 /nfs/dbraw/zinc/50/68/83/1128506883.db2.gz WTYZAKBWQBQMAB-UHFFFAOYSA-N 0 1 268.744 3.623 20 5 CHBDMN CN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000042366032 1128575542 /nfs/dbraw/zinc/57/55/42/1128575542.db2.gz ITJHLGNXHQMRKC-UHFFFAOYSA-N 0 1 290.750 3.880 20 5 CHBDMN CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(C)cc1 ZINC000920800241 1128692051 /nfs/dbraw/zinc/69/20/51/1128692051.db2.gz AAWPHISYVGOZAM-ZDUSSCGKSA-N 0 1 288.303 3.539 20 5 CHBDMN Cc1ncc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000601150202 1128700963 /nfs/dbraw/zinc/70/09/63/1128700963.db2.gz YAAMGSQFMJXJNY-JTQLQIEISA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1ncc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2C)s1 ZINC000601149408 1128701326 /nfs/dbraw/zinc/70/13/26/1128701326.db2.gz 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O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccco1)CCCC2 ZINC000417299627 1120423528 /nfs/dbraw/zinc/42/35/28/1120423528.db2.gz NHMUYSVBVZXCLM-INIZCTEOSA-N 0 1 286.331 3.745 20 5 CHBDMN Cc1occc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618567132 1128919748 /nfs/dbraw/zinc/91/97/48/1128919748.db2.gz WHCVHQQBNXDHEE-INIZCTEOSA-N 0 1 286.331 3.663 20 5 CHBDMN C[C@@H](c1cccs1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000053428446 1120497546 /nfs/dbraw/zinc/49/75/46/1120497546.db2.gz CLWIUNZMVOCVIC-NSHDSACASA-N 0 1 276.361 3.849 20 5 CHBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000225781418 1120652466 /nfs/dbraw/zinc/65/24/66/1120652466.db2.gz JJVDNQMRYNTEBQ-UHFFFAOYSA-N 0 1 288.322 3.641 20 5 CHBDMN CC[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493002272 1120965113 /nfs/dbraw/zinc/96/51/13/1120965113.db2.gz IFBOMATWYUKCFZ-JTQLQIEISA-N 0 1 268.744 3.623 20 5 CHBDMN Cc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000032132146 1121054667 /nfs/dbraw/zinc/05/46/67/1121054667.db2.gz QKKGJBCRUWXLRD-UHFFFAOYSA-N 0 1 270.332 3.535 20 5 CHBDMN O=[N+]([O-])c1ccc(-c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000542019371 1121119285 /nfs/dbraw/zinc/11/92/85/1121119285.db2.gz CXEQESWKBOZPPR-UHFFFAOYSA-N 0 1 279.708 3.853 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000174995528 1121312984 /nfs/dbraw/zinc/31/29/84/1121312984.db2.gz AZDLWDYEDBLVAH-HNNXBMFYSA-N 0 1 286.306 3.511 20 5 CHBDMN C[C@@H]1CC[C@@H](C)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000707145539 1121448737 /nfs/dbraw/zinc/44/87/37/1121448737.db2.gz RRSNUCFDZSZRPH-NXEZZACHSA-N 0 1 268.744 3.621 20 5 CHBDMN CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000037096132 1121600479 /nfs/dbraw/zinc/60/04/79/1121600479.db2.gz SZSABBQJDSASNY-UHFFFAOYSA-N 0 1 270.760 3.869 20 5 CHBDMN CCCC/C=C/[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490804 1121789167 /nfs/dbraw/zinc/78/91/67/1121789167.db2.gz LDCBYRIIEQBTPY-MLRMMBSGSA-N 0 1 265.309 3.814 20 5 CHBDMN Cc1c(CN[C@@H](c2ccccn2)C(C)C)cccc1[N+](=O)[O-] ZINC000775448944 1122591255 /nfs/dbraw/zinc/59/12/55/1122591255.db2.gz 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/nfs/dbraw/zinc/81/62/37/1123816237.db2.gz JWWHZLUVWOWJOB-NSCUHMNNSA-N 0 1 275.135 3.567 20 5 CHBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000865581075 1123997357 /nfs/dbraw/zinc/99/73/57/1123997357.db2.gz JPWQVKSBMNNNDN-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN CC(C)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000525309046 1124121988 /nfs/dbraw/zinc/12/19/88/1124121988.db2.gz RJFBFJQDVGUKMK-NSHDSACASA-N 0 1 268.382 3.524 20 5 CHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)F ZINC000872094283 1124681510 /nfs/dbraw/zinc/68/15/10/1124681510.db2.gz ZNQYKAPTAOEETO-SECBINFHSA-N 0 1 286.372 3.715 20 5 CHBDMN CC1(C)Nc2ccccc2[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000883461976 1125411457 /nfs/dbraw/zinc/41/14/57/1125411457.db2.gz HEVKUVXFTTXILD-MRXNPFEDSA-N 0 1 297.358 3.630 20 5 CHBDMN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC001168859796 1129678146 /nfs/dbraw/zinc/67/81/46/1129678146.db2.gz RQQRVXBBFFULMV-UHFFFAOYSA-N 0 1 296.370 3.888 20 5 CHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCC2 ZINC000801526345 1129924097 /nfs/dbraw/zinc/92/40/97/1129924097.db2.gz LFFBWQXLYCFMPY-LBPRGKRZSA-N 0 1 292.354 3.746 20 5 CHBDMN C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000801540140 1129925502 /nfs/dbraw/zinc/92/55/02/1129925502.db2.gz UWVMJOSMZRRAES-WBMJQRKESA-N 0 1 292.354 3.746 20 5 CHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC12CCC2 ZINC000769984467 1129934872 /nfs/dbraw/zinc/93/48/72/1129934872.db2.gz OEJUVEPNUHXYSI-UHFFFAOYSA-N 0 1 280.755 3.767 20 5 CHBDMN C[C@@H]1CC[C@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000782107231 1130755601 /nfs/dbraw/zinc/75/56/01/1130755601.db2.gz LFQHECREIDQWIP-WBMJQRKESA-N 0 1 292.354 3.746 20 5 CHBDMN O=[N+]([O-])c1cccc2c1CCN([C@H]1CCc3ccccc31)C2 ZINC000782181902 1130757457 /nfs/dbraw/zinc/75/74/57/1130757457.db2.gz JMMJKVYXTNHYHC-KRWDZBQOSA-N 0 1 294.354 3.640 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2ccc3cc[nH]c3c2)ccc1O ZINC001159691110 1131210015 /nfs/dbraw/zinc/21/00/15/1131210015.db2.gz NRJXHWVRAGESET-UHFFFAOYSA-N 0 1 269.260 3.525 20 5 CHBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000824462805 1131471355 /nfs/dbraw/zinc/47/13/55/1131471355.db2.gz PGMSCEFOJZQETR-NSHDSACASA-N 0 1 274.320 3.655 20 5 CHBDMN C[C@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1ccccc1 ZINC001230596045 1132198566 /nfs/dbraw/zinc/19/85/66/1132198566.db2.gz OMTNOXAKABXCMB-JTQLQIEISA-N 0 1 283.287 3.611 20 5 CHBDMN CC[C@@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001231260757 1132277031 /nfs/dbraw/zinc/27/70/31/1132277031.db2.gz WOMKTUHCYIODHB-CYBMUJFWSA-N 0 1 288.303 3.534 20 5 CHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2F)cc1Cl ZINC000840963025 1132313878 /nfs/dbraw/zinc/31/38/78/1132313878.db2.gz POJACBNHJSPWSI-VXGBXAGGSA-N 0 1 286.734 3.619 20 5 CHBDMN Cc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sn1 ZINC000404411119 1134945374 /nfs/dbraw/zinc/94/53/74/1134945374.db2.gz XRMJWCRYDBUYRD-NSHDSACASA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1ccccc1[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489922 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CHBDMN CC[C@@H]1CCCC[C@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491538 1135576475 /nfs/dbraw/zinc/57/64/75/1135576475.db2.gz PYPBLMOUEOIJBL-ZWNOBZJWSA-N 0 1 265.309 3.648 20 5 CHBDMN Cc1cccc2nc(O[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC001227268940 1135813685 /nfs/dbraw/zinc/81/36/85/1135813685.db2.gz XLJQJAQOSMCVHC-NSHDSACASA-N 0 1 297.314 3.920 20 5 CHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000020148039 171035526 /nfs/dbraw/zinc/03/55/26/171035526.db2.gz NHJATELYCNLMDB-LLVKDONJSA-N 0 1 274.295 3.585 20 5 CHBDMN Cc1ccc(CN[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000035273637 172094171 /nfs/dbraw/zinc/09/41/71/172094171.db2.gz DDVHOFOCGQHIBL-CQSZACIVSA-N 0 1 286.331 3.663 20 5 CHBDMN Cc1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000180825162 260133150 /nfs/dbraw/zinc/13/31/50/260133150.db2.gz OOCLOETVRDQBOL-ACJLOTCBSA-N 0 1 296.370 3.926 20 5 CHBDMN CCCC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000394054091 260212769 /nfs/dbraw/zinc/21/27/69/260212769.db2.gz SIPUFCMWRJRHPW-LLVKDONJSA-N 0 1 268.332 3.744 20 5 CHBDMN Cc1nc(C)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000119886957 262174135 /nfs/dbraw/zinc/17/41/35/262174135.db2.gz AMRYMEHZIMZEBO-VIFPVBQESA-N 0 1 291.376 3.519 20 5 CHBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC12CCC2 ZINC000357025720 266235602 /nfs/dbraw/zinc/23/56/02/266235602.db2.gz PMPDFEXBYJYGHX-GFCCVEGCSA-N 0 1 292.354 3.746 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1c2ccccc2O[C@H]1C ZINC000367402351 267071287 /nfs/dbraw/zinc/07/12/87/267071287.db2.gz QWYDVUYDCVCCPG-YVEFUNNKSA-N 0 1 298.342 3.515 20 5 CHBDMN CC(C)(C)CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000436475013 328166691 /nfs/dbraw/zinc/16/66/91/328166691.db2.gz TUOBZXMVOQEYOL-UHFFFAOYSA-N 0 1 255.339 3.580 20 5 CHBDMN Cc1ccc(CN(Cc2ccccn2)C(C)C)cc1[N+](=O)[O-] ZINC000535081532 328385337 /nfs/dbraw/zinc/38/53/37/328385337.db2.gz BXFHJEMPTRMLEN-UHFFFAOYSA-N 0 1 299.374 3.709 20 5 CHBDMN C[C@@H](NC/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000557462426 327006810 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CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000539218445 333662098 /nfs/dbraw/zinc/66/20/98/333662098.db2.gz TZURSOICCKYTPZ-QWHCGFSZSA-N 0 1 299.374 3.964 20 5 CHBDMN Cc1cc(N2CC[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543048491 333854041 /nfs/dbraw/zinc/85/40/41/333854041.db2.gz OZWBFFYPIZKSNO-ZDUSSCGKSA-N 0 1 297.358 3.688 20 5 CHBDMN CC1(C)C[C@@H](N[C@H]2CCC[C@H]2F)c2cc([N+](=O)[O-])ccc21 ZINC000551309276 334246315 /nfs/dbraw/zinc/24/63/15/334246315.db2.gz QJFNGAKWURYCOD-QLFBSQMISA-N 0 1 292.354 3.797 20 5 CHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)o1 ZINC000576314309 335188599 /nfs/dbraw/zinc/18/85/99/335188599.db2.gz NHJHWZYHCPXUSZ-UHFFFAOYSA-N 0 1 294.738 3.516 20 5 CHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000577595056 335375409 /nfs/dbraw/zinc/37/54/09/335375409.db2.gz RPENSCGBTLEPLK-KGYLQXTDSA-N 0 1 296.342 3.535 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCCC3)CC2)c(F)c1 ZINC000385562810 336151447 /nfs/dbraw/zinc/15/14/47/336151447.db2.gz 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O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000138871905 1126747498 /nfs/dbraw/zinc/74/74/98/1126747498.db2.gz ZLGJRVIXJCIIKE-MRXNPFEDSA-N 0 1 298.342 3.638 20 5 CHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000270552632 1127057858 /nfs/dbraw/zinc/05/78/58/1127057858.db2.gz BRIKLTGVUIJAFR-CYBMUJFWSA-N 0 1 285.347 3.573 20 5 CHBDMN Cc1ccccc1C1(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000592139966 1127339132 /nfs/dbraw/zinc/33/91/32/1127339132.db2.gz PYPDBKQVUJXRJR-UHFFFAOYSA-N 0 1 296.370 3.991 20 5 CHBDMN Cc1ccccc1C1(NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000592372805 1127367300 /nfs/dbraw/zinc/36/73/00/1127367300.db2.gz QXAUEWOXPRXUSK-UHFFFAOYSA-N 0 1 296.370 3.991 20 5 CHBDMN C[C@@H](NCc1ccccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000358058402 1127399334 /nfs/dbraw/zinc/39/93/34/1127399334.db2.gz GLVDOUDQXACSPD-CYBMUJFWSA-N 0 1 299.374 3.512 20 5 CHBDMN CCCN(Cc1onc(C)c1[N+](=O)[O-])CC1CCCCC1 ZINC000595295839 1127457431 /nfs/dbraw/zinc/45/74/31/1127457431.db2.gz 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294.370 3.992 20 5 CHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccoc2)cc1[N+](=O)[O-] ZINC000181235356 1120031785 /nfs/dbraw/zinc/03/17/85/1120031785.db2.gz QVGHISXTZAMGAX-RYUDHWBXSA-N 0 1 274.320 3.908 20 5 CHBDMN Cc1ccnc(NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000301635481 1120222080 /nfs/dbraw/zinc/22/20/80/1120222080.db2.gz KSYBRHLOKPILQW-UHFFFAOYSA-N 0 1 285.347 3.733 20 5 CHBDMN CCC[C@H](NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000020084133 1120279872 /nfs/dbraw/zinc/27/98/72/1120279872.db2.gz XUUKKMFFDJOXQQ-HNNXBMFYSA-N 0 1 274.320 3.819 20 5 CHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000020095899 1120492840 /nfs/dbraw/zinc/49/28/40/1120492840.db2.gz SAGNBNKOXNNANW-LLVKDONJSA-N 0 1 274.295 3.585 20 5 CHBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000182024674 1128922181 /nfs/dbraw/zinc/92/21/81/1128922181.db2.gz SAPDQHNLEJBWSU-UHFFFAOYSA-N 0 1 268.744 3.623 20 5 CHBDMN Cc1nc(C)c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000313242018 1120696056 /nfs/dbraw/zinc/69/60/56/1120696056.db2.gz 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HHIGDCLIZWUZAR-CQSZACIVSA-N 0 1 282.771 3.870 20 5 CHBDMN Cc1c(CN(C)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000051377682 1120817894 /nfs/dbraw/zinc/81/78/94/1120817894.db2.gz YNMJBOGVIPMMDI-UHFFFAOYSA-N 0 1 288.322 3.674 20 5 CHBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000133828678 1121045315 /nfs/dbraw/zinc/04/53/15/1121045315.db2.gz JDDSQEKLVTURJI-INIZCTEOSA-N 0 1 286.306 3.511 20 5 CHBDMN CCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000611267949 1121633720 /nfs/dbraw/zinc/63/37/20/1121633720.db2.gz QTTNXHRXATXSAQ-ALCCZGGFSA-N 0 1 286.331 3.723 20 5 CHBDMN Cc1cccc2c1CC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000611335529 1121638142 /nfs/dbraw/zinc/63/81/42/1121638142.db2.gz UQWRMKMKQQSWQP-INIZCTEOSA-N 0 1 282.343 3.680 20 5 CHBDMN Cc1cccc2c1CC[C@H]2NCc1ccccc1[N+](=O)[O-] ZINC000611335530 1121638262 /nfs/dbraw/zinc/63/82/62/1121638262.db2.gz UQWRMKMKQQSWQP-MRXNPFEDSA-N 0 1 282.343 3.680 20 5 CHBDMN Cc1ccc(CNCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000034995024 1122135854 /nfs/dbraw/zinc/13/58/54/1122135854.db2.gz YWUYKQPIIRRFCS-UHFFFAOYSA-N 0 1 290.750 3.846 20 5 CHBDMN CSc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000435682289 1122481591 /nfs/dbraw/zinc/48/15/91/1122481591.db2.gz LQTAQYLHFKYSOX-UHFFFAOYSA-N 0 1 285.328 3.860 20 5 CHBDMN CCN(Cc1cccs1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506017829 1122626104 /nfs/dbraw/zinc/62/61/04/1122626104.db2.gz VMMNCCOOHVWFIP-UHFFFAOYSA-N 0 1 290.388 3.987 20 5 CHBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000474152731 1123472385 /nfs/dbraw/zinc/47/23/85/1123472385.db2.gz RSBRRWRNUATATP-UHFFFAOYSA-N 0 1 296.330 3.700 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccns1 ZINC000858575788 1123663764 /nfs/dbraw/zinc/66/37/64/1123663764.db2.gz DTMMWJBKCUCJTN-WDEREUQCSA-N 0 1 291.376 3.772 20 5 CHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)F ZINC000872094285 1124681560 /nfs/dbraw/zinc/68/15/60/1124681560.db2.gz ZNQYKAPTAOEETO-VIFPVBQESA-N 0 1 286.372 3.715 20 5 CHBDMN Cc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000449373576 1124704316 /nfs/dbraw/zinc/70/43/16/1124704316.db2.gz SAEQZJVSGLYWCP-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1ccc(F)cc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873183616 1124746723 /nfs/dbraw/zinc/74/67/23/1124746723.db2.gz WTCVHAUNSRAEKA-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN CC(C)C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001168146126 1125262541 /nfs/dbraw/zinc/26/25/41/1125262541.db2.gz QEVFKXHMUGLMFX-CYBMUJFWSA-N 0 1 292.379 3.559 20 5 CHBDMN Cc1cccc(C)c1CNCc1ccccc1[N+](=O)[O-] ZINC000130394888 1125360481 /nfs/dbraw/zinc/36/04/81/1125360481.db2.gz CEFIIPVPEFYTOI-UHFFFAOYSA-N 0 1 270.332 3.501 20 5 CHBDMN O=[N+]([O-])c1ccccc1CNCc1cccc(C2CC2)c1 ZINC000094519603 1125385465 /nfs/dbraw/zinc/38/54/65/1125385465.db2.gz NCZCXNVBVZGPSO-UHFFFAOYSA-N 0 1 282.343 3.762 20 5 CHBDMN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000094773558 1129451839 /nfs/dbraw/zinc/45/18/39/1129451839.db2.gz MNBZXTRAHUGYLS-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC2(C1)CCCCC2 ZINC000741806279 1129454793 /nfs/dbraw/zinc/45/47/93/1129454793.db2.gz DZPMIZCWPHRANT-UHFFFAOYSA-N 0 1 292.354 3.890 20 5 CHBDMN COc1cc([C@@H](C)NCc2ccsc2)cc([N+](=O)[O-])c1 ZINC000903068439 1130107976 /nfs/dbraw/zinc/10/79/76/1130107976.db2.gz FCPCXXKSDURZQG-SNVBAGLBSA-N 0 1 292.360 3.516 20 5 CHBDMN C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903338541 1130161617 /nfs/dbraw/zinc/16/16/17/1130161617.db2.gz IQXNDGQYVOCLBT-SJKOYZFVSA-N 0 1 297.358 3.792 20 5 CHBDMN O=c1oc2cc(OC3CC=CC3)ccc2c2ccc(O)cc12 ZINC001229797481 1132119555 /nfs/dbraw/zinc/11/95/55/1132119555.db2.gz CRWMLZGIWYNXAT-UHFFFAOYSA-N 0 1 294.306 3.749 20 5 CHBDMN O=c1oc2cc(OC3CCCC3)ccc2c2ccc(O)cc12 ZINC001229797794 1132119730 /nfs/dbraw/zinc/11/97/30/1132119730.db2.gz NVIBRXARZJJDBK-UHFFFAOYSA-N 0 1 296.322 3.973 20 5 CHBDMN CC(C)CC[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600496 1132197911 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ZINC001225491199 1135576291 /nfs/dbraw/zinc/57/62/91/1135576291.db2.gz NHMJTNCXNVFVQS-SNVBAGLBSA-N 0 1 253.298 3.648 20 5 CHBDMN CCC1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225491149 1135576410 /nfs/dbraw/zinc/57/64/10/1135576410.db2.gz MZAGPDDVVXVPLH-UHFFFAOYSA-N 0 1 265.309 3.648 20 5 CHBDMN O=[N+]([O-])c1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000020209911 171074366 /nfs/dbraw/zinc/07/43/66/171074366.db2.gz AEGCRGRQWLNPBQ-UHFFFAOYSA-N 0 1 276.723 3.538 20 5 CHBDMN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000035307950 172120768 /nfs/dbraw/zinc/12/07/68/172120768.db2.gz XYYHGYUGJCLFFR-LLVKDONJSA-N 0 1 274.295 3.585 20 5 CHBDMN C[C@@H]1C[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037403646 173180041 /nfs/dbraw/zinc/18/00/41/173180041.db2.gz FYBDOAZIZPKZET-PHIMTYICSA-N 0 1 282.771 3.726 20 5 CHBDMN Cc1cccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000354861732 227178655 /nfs/dbraw/zinc/17/86/55/227178655.db2.gz QTSPQOSFOWZIAE-UHFFFAOYSA-N 0 1 291.738 3.606 20 5 CHBDMN CC(C)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158701642 261169434 /nfs/dbraw/zinc/16/94/34/261169434.db2.gz QBFKJNPJYVFKJI-UHFFFAOYSA-N 0 1 291.376 3.559 20 5 CHBDMN CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000185942881 262072719 /nfs/dbraw/zinc/07/27/19/262072719.db2.gz BUPVSYNDVZGIKP-MRXNPFEDSA-N 0 1 285.347 3.621 20 5 CHBDMN Cc1nc(C)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000119887121 262174175 /nfs/dbraw/zinc/17/41/75/262174175.db2.gz AMRYMEHZIMZEBO-SECBINFHSA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1ccncc1 ZINC000289751787 263111903 /nfs/dbraw/zinc/11/19/03/263111903.db2.gz JECKEZZDGHNIJH-QGZVFWFLSA-N 0 1 297.358 3.635 20 5 CHBDMN Cc1ncc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000123698216 328305699 /nfs/dbraw/zinc/30/56/99/328305699.db2.gz QEWRSCYJCGHETG-SNVBAGLBSA-N 0 1 291.376 3.519 20 5 CHBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000111158734 328328265 /nfs/dbraw/zinc/32/82/65/328328265.db2.gz GYAKOHOFWSYDDO-MRXNPFEDSA-N 0 1 286.306 3.511 20 5 CHBDMN Cc1cccc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000049963460 328379976 /nfs/dbraw/zinc/37/99/76/328379976.db2.gz ZXYWGKTXIAEHCR-UHFFFAOYSA-N 0 1 290.750 3.846 20 5 CHBDMN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089511930 327170680 /nfs/dbraw/zinc/17/06/80/327170680.db2.gz HGSGWBCLDCPKTA-PXAZEXFGSA-N 0 1 282.343 3.618 20 5 CHBDMN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CC23CC3)c2ccccc2)c1 ZINC000424325726 330341123 /nfs/dbraw/zinc/34/11/23/330341123.db2.gz OIXIOHNIDAMCOF-IAGOWNOFSA-N 0 1 294.354 3.826 20 5 CHBDMN C[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000119705679 330378881 /nfs/dbraw/zinc/37/88/81/330378881.db2.gz HPYFMPJJCXFDTC-MEDUHNTESA-N 0 1 298.342 3.639 20 5 CHBDMN Cc1ccncc1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449523172 330933863 /nfs/dbraw/zinc/93/38/63/330933863.db2.gz LBVFDHCQXNFGEF-UHFFFAOYSA-N 0 1 299.374 3.711 20 5 CHBDMN CC[C@@H]1CCCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463483690 331348434 /nfs/dbraw/zinc/34/84/34/331348434.db2.gz ZJSNLCGEBLJGKP-GFCCVEGCSA-N 0 1 296.342 3.507 20 5 CHBDMN C[C@@H]1CC[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464822213 331369698 /nfs/dbraw/zinc/36/96/98/331369698.db2.gz KXGIUFYLDKHJPN-MNOVXSKESA-N 0 1 282.771 3.869 20 5 CHBDMN CC[C@H](C)CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492278553 332390148 /nfs/dbraw/zinc/39/01/48/332390148.db2.gz WMIKGBCDNYFBQP-JTQLQIEISA-N 0 1 270.760 3.726 20 5 CHBDMN Cc1c(CN[C@H]2CCCc3occc32)cccc1[N+](=O)[O-] ZINC000231884082 333331081 /nfs/dbraw/zinc/33/10/81/333331081.db2.gz WHXHKGLULHLJHF-AWEZNQCLSA-N 0 1 286.331 3.663 20 5 CHBDMN C[C@@H]1CCC[C@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000353878479 533823597 /nfs/dbraw/zinc/82/35/97/533823597.db2.gz DEXKCVKVDVTXOY-WDEREUQCSA-N 0 1 268.382 3.667 20 5 CHBDMN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000290535798 521304519 /nfs/dbraw/zinc/30/45/19/521304519.db2.gz QWUDSMCHOUCRLM-CQSZACIVSA-N 0 1 299.374 3.881 20 5 CHBDMN Cc1ccc([C@@H](C)NCc2csc([N+](=O)[O-])c2)s1 ZINC000049161766 525735691 /nfs/dbraw/zinc/73/56/91/525735691.db2.gz LLQMXDDYLFIPBN-SECBINFHSA-N 0 1 282.390 3.877 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2sccc21 ZINC000061329262 527400781 /nfs/dbraw/zinc/40/07/81/527400781.db2.gz SDHFXHUIEQTZJE-ZDUSSCGKSA-N 0 1 288.372 3.824 20 5 CHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccccn1 ZINC000347382315 527529338 /nfs/dbraw/zinc/52/93/38/527529338.db2.gz UYVHGUYXPAFLBP-GXDHUFHOSA-N 0 1 297.358 3.525 20 5 CHBDMN O=[N+]([O-])c1ncccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000886112406 1125651483 /nfs/dbraw/zinc/65/14/83/1125651483.db2.gz XKLMWFPCCFETHY-MRXNPFEDSA-N 0 1 297.358 3.621 20 5 CHBDMN C[C@@H](NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176952 1126923272 /nfs/dbraw/zinc/92/32/72/1126923272.db2.gz KCQYIGXVCWPTAP-LLVKDONJSA-N 0 1 274.295 3.585 20 5 CHBDMN Cc1cncc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000274360531 1127114754 /nfs/dbraw/zinc/11/47/54/1127114754.db2.gz 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C[C@@H](N[C@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000155811445 263016466 /nfs/dbraw/zinc/01/64/66/263016466.db2.gz WONKOLAWUZWOQD-GHMZBOCLSA-N 0 1 289.310 3.541 20 5 CHBDMN CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000172020680 335088946 /nfs/dbraw/zinc/08/89/46/335088946.db2.gz SHNDKHWTPXIIMT-UHFFFAOYSA-N 0 1 268.744 3.623 20 5 CHBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000111158738 328328270 /nfs/dbraw/zinc/32/82/70/328328270.db2.gz GYAKOHOFWSYDDO-INIZCTEOSA-N 0 1 286.306 3.511 20 5 CHBDMN O=[N+]([O-])c1ccc(CNCc2coc3ccccc23)cc1 ZINC000083601906 326936993 /nfs/dbraw/zinc/93/69/93/326936993.db2.gz IEXWVANJYBVGIM-UHFFFAOYSA-N 0 1 282.299 3.631 20 5 CHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000089511957 327170815 /nfs/dbraw/zinc/17/08/15/327170815.db2.gz TXADTGVTCJJBTL-CYBMUJFWSA-N 0 1 299.374 3.512 20 5 CHBDMN Cn1cccc1[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000175115619 329162999 /nfs/dbraw/zinc/16/29/99/329162999.db2.gz FVCFDDZCYPKKFK-KRWDZBQOSA-N 0 1 299.374 3.661 20 5 CHBDMN Cc1cc(Cl)cc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000395180871 329278609 /nfs/dbraw/zinc/27/86/09/329278609.db2.gz FCYKJFDDISJWDH-UHFFFAOYSA-N 0 1 290.750 3.846 20 5 CHBDMN CC(C)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000464779745 331367861 /nfs/dbraw/zinc/36/78/61/331367861.db2.gz ZJZHMMDEWFFGRY-SWLSCSKDSA-N 0 1 294.420 3.729 20 5 CHBDMN CCc1cccnc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478497909 331707515 /nfs/dbraw/zinc/70/75/15/331707515.db2.gz LETXCIPNYBAMLP-CYBMUJFWSA-N 0 1 299.374 3.711 20 5 CHBDMN C[C@@H](C1CCC1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492174176 332385777 /nfs/dbraw/zinc/38/57/77/332385777.db2.gz AEPZBBXFRNSXGQ-JTQLQIEISA-N 0 1 282.771 3.869 20 5 CHBDMN C[C@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000513682575 333032037 /nfs/dbraw/zinc/03/20/37/333032037.db2.gz APUVQHIPPBOCKB-ZDUSSCGKSA-N 0 1 282.343 3.714 20 5 CHBDMN Cc1c(CNCc2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000071308853 333853309 /nfs/dbraw/zinc/85/33/09/333853309.db2.gz BKSGFSOFSABQRS-UHFFFAOYSA-N 0 1 296.779 3.908 20 5 CHBDMN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000543979974 333907733 /nfs/dbraw/zinc/90/77/33/333907733.db2.gz BCIUSASXWDJJEY-STQMWFEESA-N 0 1 299.374 3.964 20 5 CHBDMN O=[N+]([O-])c1cc(CNC2(c3ccccc3)CCC2)cs1 ZINC000195422798 336053363 /nfs/dbraw/zinc/05/33/63/336053363.db2.gz HEDDKKJONHYBDB-UHFFFAOYSA-N 0 1 288.372 3.825 20 5 CHBDMN Cc1c(CN2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000352550547 533843967 /nfs/dbraw/zinc/84/39/67/533843967.db2.gz OOCRRCLSZRMMPR-UHFFFAOYSA-N 0 1 298.342 3.786 20 5 CHBDMN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000070160261 524605661 /nfs/dbraw/zinc/60/56/61/524605661.db2.gz HPQJDSZWESAIMP-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1c(CN2CCC[C@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000125460112 525704792 /nfs/dbraw/zinc/70/47/92/525704792.db2.gz BLFULHNQTSYILY-KRWDZBQOSA-N 0 1 297.358 3.635 20 5 CHBDMN Cc1c(CN2CCC[C@@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000125459918 525705640 /nfs/dbraw/zinc/70/56/40/525705640.db2.gz BLFULHNQTSYILY-QGZVFWFLSA-N 0 1 297.358 3.635 20 5 CHBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000036959970 525942278 /nfs/dbraw/zinc/94/22/78/525942278.db2.gz PWWPUWRYPQGLQO-NEPJUHHUSA-N 0 1 274.320 3.908 20 5 CHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(F)(F)[C@@H](C)C1 ZINC000289647972 526107447 /nfs/dbraw/zinc/10/74/47/526107447.db2.gz DPNWYLLAMMMXHU-QWRGUYRKSA-N 0 1 284.306 3.633 20 5 CHBDMN O=[N+]([O-])c1ccc2oc(CN3CCCCCCC3)nc2c1 ZINC000083127495 527381759 /nfs/dbraw/zinc/38/17/59/527381759.db2.gz OCZBKMSGIYIIEP-UHFFFAOYSA-N 0 1 289.335 3.502 20 5 CHBDMN Cc1cccc([C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000885962919 1125631762 /nfs/dbraw/zinc/63/17/62/1125631762.db2.gz IPZUBCPQVJVRQM-MRXNPFEDSA-N 0 1 297.358 3.635 20 5 CHBDMN CC[C@H](NCc1cccnc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000886105222 1125650225 /nfs/dbraw/zinc/65/02/25/1125650225.db2.gz UZYJOZMGKBNSPZ-HNNXBMFYSA-N 0 1 285.347 3.539 20 5 CHBDMN CC[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000886105223 1125650339 /nfs/dbraw/zinc/65/03/39/1125650339.db2.gz UZYJOZMGKBNSPZ-OAHLLOKOSA-N 0 1 285.347 3.539 20 5 CHBDMN Cc1ccc(CN[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000037494524 1125680362 /nfs/dbraw/zinc/68/03/62/1125680362.db2.gz SHZVTYZWXBCZDX-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])CC2 ZINC000160820072 1126776301 /nfs/dbraw/zinc/77/63/01/1126776301.db2.gz WPBJLGFQKPQTLJ-INIZCTEOSA-N 0 1 282.343 3.680 20 5 CHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)C2CC2)cc1 ZINC000043643050 1127005400 /nfs/dbraw/zinc/00/54/00/1127005400.db2.gz ZHENJUSDTBBNRF-UHFFFAOYSA-N 0 1 282.343 3.759 20 5 CHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000487235835 1127026857 /nfs/dbraw/zinc/02/68/57/1127026857.db2.gz UYCMCJMQXOEEIX-ZDUSSCGKSA-N 0 1 282.343 3.714 20 5 CHBDMN Cc1ccncc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000269539815 1127041557 /nfs/dbraw/zinc/04/15/57/1127041557.db2.gz AJVGATXVKMVGDC-UHFFFAOYSA-N 0 1 299.374 3.709 20 5 CHBDMN Cc1ccc(CN(Cc2ccco2)C(C)C)cc1[N+](=O)[O-] ZINC000349840164 1127164853 /nfs/dbraw/zinc/16/48/53/1127164853.db2.gz OZCFWLGKCNMPBG-UHFFFAOYSA-N 0 1 288.347 3.907 20 5 CHBDMN Cc1ccc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000353164559 1127263228 /nfs/dbraw/zinc/26/32/28/1127263228.db2.gz ICZURTRNTUSELU-UHFFFAOYSA-N 0 1 299.374 3.632 20 5 CHBDMN CCOc1cc(CN2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000593037887 1127369345 /nfs/dbraw/zinc/36/93/45/1127369345.db2.gz DJVZIFVETOOUGB-UHFFFAOYSA-N 0 1 290.363 3.512 20 5 CHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000595051257 1127451194 /nfs/dbraw/zinc/45/11/94/1127451194.db2.gz MQLQLPGWPFZPFZ-ZLKJLUDKSA-N 0 1 296.342 3.535 20 5 CHBDMN CCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000601937043 1127551228 /nfs/dbraw/zinc/55/12/28/1127551228.db2.gz BCNSVCVRROCYIH-UHFFFAOYSA-N 0 1 295.726 3.531 20 5 CHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000598992955 1127650689 /nfs/dbraw/zinc/65/06/89/1127650689.db2.gz FAEBGHSWVFKUTR-QGZVFWFLSA-N 0 1 297.358 3.621 20 5 CHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599059222 1127653659 /nfs/dbraw/zinc/65/36/59/1127653659.db2.gz PXEAYSYBZQJZGI-IJLUTSLNSA-N 0 1 298.333 3.879 20 5 CHBDMN Cc1ccnc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000295963449 1127658965 /nfs/dbraw/zinc/65/89/65/1127658965.db2.gz IAQMNVYPDUCKRX-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc(Cl)o1 ZINC000608835473 1127889763 /nfs/dbraw/zinc/88/97/63/1127889763.db2.gz KMGMIDJHZULZHQ-HWKANZROSA-N 0 1 292.722 3.644 20 5 CHBDMN CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000494177392 1128158109 /nfs/dbraw/zinc/15/81/09/1128158109.db2.gz WVSXDZHBGDSXBO-UHFFFAOYSA-N 0 1 282.771 3.870 20 5 CHBDMN CCCN(Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC1 ZINC000494177392 1128158112 /nfs/dbraw/zinc/15/81/12/1128158112.db2.gz WVSXDZHBGDSXBO-UHFFFAOYSA-N 0 1 282.771 3.870 20 5 CHBDMN Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3C)[nH]c21 ZINC000542507833 1128200464 /nfs/dbraw/zinc/20/04/64/1128200464.db2.gz QNXCSVAIQDTYFA-UHFFFAOYSA-N 0 1 267.288 3.755 20 5 CHBDMN Cc1cc(C)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000932177209 1128398830 /nfs/dbraw/zinc/39/88/30/1128398830.db2.gz SQNKAQKDUVJIBG-CYBMUJFWSA-N 0 1 299.374 3.766 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000934194813 1128454068 /nfs/dbraw/zinc/45/40/68/1128454068.db2.gz HPPMIMUIMVJBTI-GHMZBOCLSA-N 0 1 291.376 3.772 20 5 CHBDMN O=[N+]([O-])c1cc(CN2CCC3(CCC3)C2)ccc1Cl ZINC000154313193 1128490917 /nfs/dbraw/zinc/49/09/17/1128490917.db2.gz JPBBXEZGLYEAEV-UHFFFAOYSA-N 0 1 280.755 3.624 20 5 CHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccccc1F ZINC000565216073 1128521349 /nfs/dbraw/zinc/52/13/49/1128521349.db2.gz JANGQSKWQONGCZ-HNNXBMFYSA-N 0 1 286.306 3.511 20 5 CHBDMN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601307236 1128709561 /nfs/dbraw/zinc/70/95/61/1128709561.db2.gz XOUOTRIMVJRPPJ-JMJZKYOTSA-N 0 1 288.269 3.505 20 5 CHBDMN CC[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705380 1128723075 /nfs/dbraw/zinc/72/30/75/1128723075.db2.gz XTALTLVWLRGYFA-LLVKDONJSA-N 0 1 282.771 3.870 20 5 CHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1C1CC1 ZINC000609705066 1128723244 /nfs/dbraw/zinc/72/32/44/1128723244.db2.gz MOXUZTWYHLEEOT-ZDUSSCGKSA-N 0 1 280.755 3.623 20 5 CHBDMN C[C@@H](N[C@@H]1CCCc2ncccc21)c1ccccc1[N+](=O)[O-] ZINC000601272258 1119376592 /nfs/dbraw/zinc/37/65/92/1119376592.db2.gz AEVAKIOBBSLJOO-MLGOLLRUSA-N 0 1 297.358 3.718 20 5 CHBDMN Cc1c(CNCc2coc3ccccc23)cccc1[N+](=O)[O-] ZINC000318271431 1119559696 /nfs/dbraw/zinc/55/96/96/1119559696.db2.gz LQCNBDAEEJCVHW-UHFFFAOYSA-N 0 1 296.326 3.939 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CCCCCCC2)c(F)c1 ZINC000311770436 1120106990 /nfs/dbraw/zinc/10/69/90/1120106990.db2.gz VXSBFYGPGQVPNM-UHFFFAOYSA-N 0 1 266.316 3.500 20 5 CHBDMN Cc1ccc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000255325030 1120352377 /nfs/dbraw/zinc/35/23/77/1120352377.db2.gz XQMWEIIHRAMQAW-ALCCZGGFSA-N 0 1 286.331 3.641 20 5 CHBDMN Cc1cc(F)ccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000922671079 1120576864 /nfs/dbraw/zinc/57/68/64/1120576864.db2.gz LSCGQBHEDJGKLD-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1cc(N2CCCC3(CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302287228 1120650816 /nfs/dbraw/zinc/65/08/16/1120650816.db2.gz WAFJKNWUMXFYTG-UHFFFAOYSA-N 0 1 297.358 3.832 20 5 CHBDMN Cc1cc2[nH]ncc2cc1Nc1sccc1[N+](=O)[O-] ZINC000302732981 1120656503 /nfs/dbraw/zinc/65/65/03/1120656503.db2.gz UYUSLAZCWFHIBT-UHFFFAOYSA-N 0 1 274.305 3.585 20 5 CHBDMN Cc1nc(C)c(CN[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000313242015 1120696276 /nfs/dbraw/zinc/69/62/76/1120696276.db2.gz VOGUUJMYZBGZKV-SECBINFHSA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000044730372 1120731519 /nfs/dbraw/zinc/73/15/19/1120731519.db2.gz QTVDIAZWDCDPOS-LBPRGKRZSA-N 0 1 288.347 3.964 20 5 CHBDMN CCC1(CC)CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001175898218 1121474173 /nfs/dbraw/zinc/47/41/73/1121474173.db2.gz JUTHXQPFAFCTOV-UHFFFAOYSA-N 0 1 280.343 3.889 20 5 CHBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000120456216 1121531753 /nfs/dbraw/zinc/53/17/53/1121531753.db2.gz VTFPOTMVDXNZCL-GQCTYLIASA-N 0 1 288.372 3.802 20 5 CHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC=CCC3)o2)c1 ZINC000611521154 1121653946 /nfs/dbraw/zinc/65/39/46/1121653946.db2.gz ITLJLSLFFRRCMM-UHFFFAOYSA-N 0 1 284.315 3.617 20 5 CHBDMN Cc1ccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000505607849 1122434745 /nfs/dbraw/zinc/43/47/45/1122434745.db2.gz KNYHQQGIUWACKG-UHFFFAOYSA-N 0 1 284.359 3.844 20 5 CHBDMN C[C@H]1CCCC[C@@H]1N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505629600 1122442660 /nfs/dbraw/zinc/44/26/60/1122442660.db2.gz BGZQURSKWCLZKL-FZMZJTMJSA-N 0 1 280.343 3.744 20 5 CHBDMN C[C@@H](NCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000436308458 1122538561 /nfs/dbraw/zinc/53/85/61/1122538561.db2.gz PRQOQYMHTZWENQ-SNVBAGLBSA-N 0 1 294.351 3.943 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(F)(F)[C@H](C)C1 ZINC000516558723 1122611675 /nfs/dbraw/zinc/61/16/75/1122611675.db2.gz DGGZWXNVNYJHMI-NEPJUHHUSA-N 0 1 298.333 3.941 20 5 CHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000015301337 1122800755 /nfs/dbraw/zinc/80/07/55/1122800755.db2.gz PNJTZRKGMVUFIE-CQSZACIVSA-N 0 1 288.372 3.993 20 5 CHBDMN C[C@@H](c1ccncc1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000183715020 1129089817 /nfs/dbraw/zinc/08/98/17/1129089817.db2.gz OZYXHTYTCBKHLD-DYLGSBMWSA-N 0 1 297.358 3.696 20 5 CHBDMN CC[C@H](CC(F)F)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869759 1123385357 /nfs/dbraw/zinc/38/53/57/1123385357.db2.gz QCPDTHXEWMTERZ-LLVKDONJSA-N 0 1 298.333 3.634 20 5 CHBDMN Cc1c([C@@H](C)N[C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000858577110 1123664815 /nfs/dbraw/zinc/66/48/15/1123664815.db2.gz PCNFXMZOTXPZFV-MNOVXSKESA-N 0 1 291.376 3.772 20 5 CHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC2(F)F)CC1 ZINC000593077491 1124561452 /nfs/dbraw/zinc/56/14/52/1124561452.db2.gz RFJLKSGKNULHMV-LLVKDONJSA-N 0 1 296.317 3.777 20 5 CHBDMN C[C@H](NCCCOC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084717 1124679233 /nfs/dbraw/zinc/67/92/33/1124679233.db2.gz HTENMNHDMAUPPR-NSHDSACASA-N 0 1 298.358 3.590 20 5 CHBDMN CC(C)C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001168146128 1125262067 /nfs/dbraw/zinc/26/20/67/1125262067.db2.gz QEVFKXHMUGLMFX-ZDUSSCGKSA-N 0 1 292.379 3.559 20 5 CHBDMN C[C@H](NCc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171130833 1125404403 /nfs/dbraw/zinc/40/44/03/1125404403.db2.gz HVBABJITCIOSLI-ZDUSSCGKSA-N 0 1 299.374 3.512 20 5 CHBDMN Cc1ccccc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037718969 1129205856 /nfs/dbraw/zinc/20/58/56/1129205856.db2.gz IFXCIKWQCOXACU-CYBMUJFWSA-N 0 1 270.332 3.754 20 5 CHBDMN CC[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000735311476 1129340637 /nfs/dbraw/zinc/34/06/37/1129340637.db2.gz QRPQBFYANHBHJQ-GFCCVEGCSA-N 0 1 280.343 3.746 20 5 CHBDMN COc1cc([C@H](C)NCc2ccsc2)cc([N+](=O)[O-])c1 ZINC000903068438 1130108006 /nfs/dbraw/zinc/10/80/06/1130108006.db2.gz FCPCXXKSDURZQG-JTQLQIEISA-N 0 1 292.360 3.516 20 5 CHBDMN CCN(Cc1cc(F)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001171087125 1131510700 /nfs/dbraw/zinc/51/07/00/1131510700.db2.gz LKNJDBMHDQRJAT-UHFFFAOYSA-N 0 1 280.343 3.744 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CCC23CCCC3)cc1Cl ZINC000845998975 1131677087 /nfs/dbraw/zinc/67/70/87/1131677087.db2.gz FWKLLIIKYNLQQY-UHFFFAOYSA-N 0 1 280.755 3.767 20 5 CHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000716055107 1132003659 /nfs/dbraw/zinc/00/36/59/1132003659.db2.gz NNJGBOPHYLFIBB-QWRGUYRKSA-N 0 1 291.376 3.772 20 5 CHBDMN Cc1ccc([C@@H](C)Oc2cc3[nH]ncc3cc2[N+](=O)[O-])cc1 ZINC001230600916 1132198491 /nfs/dbraw/zinc/19/84/91/1132198491.db2.gz JYXSQOVDDAHFDP-LLVKDONJSA-N 0 1 297.314 3.920 20 5 CHBDMN c1ccc2c(c1)cc1ccccc1c2CN1CCO[C@H]2C[C@H]21 ZINC001141728141 1132242133 /nfs/dbraw/zinc/24/21/33/1132242133.db2.gz NHASEEKMGNJMMH-UXHICEINSA-N 0 1 289.378 3.966 20 5 CHBDMN Cc1ccc2[nH]c(NCc3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC001203478817 1133332288 /nfs/dbraw/zinc/33/22/88/1133332288.db2.gz JPSXRTDJTDODOL-UHFFFAOYSA-N 0 1 296.330 3.700 20 5 CHBDMN Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c2cccnc12 ZINC001210401632 1134208424 /nfs/dbraw/zinc/20/84/24/1134208424.db2.gz WDSREJNKKSWAFH-UHFFFAOYSA-N 0 1 295.298 3.901 20 5 CHBDMN Cc1ccc(Nc2cc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC001214167307 1134515136 /nfs/dbraw/zinc/51/51/36/1134515136.db2.gz FUUURNOBFGAHKI-UHFFFAOYSA-N 0 1 275.308 3.932 20 5 CHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CC[C@@H]1C ZINC000342077864 535021490 /nfs/dbraw/zinc/02/14/90/535021490.db2.gz SWJHHLMFDNFNJH-BETUJISGSA-N 0 1 292.379 3.755 20 5 CHBDMN CSc1ccc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000352834401 532958348 /nfs/dbraw/zinc/95/83/48/532958348.db2.gz LXRHXPWUYKMDPZ-UHFFFAOYSA-N 0 1 294.401 3.668 20 5 CHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000020121805 171001021 /nfs/dbraw/zinc/00/10/21/171001021.db2.gz VABTXFSOKRWXAG-STQMWFEESA-N 0 1 285.347 3.710 20 5 CHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000020121808 171001225 /nfs/dbraw/zinc/00/12/25/171001225.db2.gz VABTXFSOKRWXAG-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN COc1ccnc(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468585548 225028649 /nfs/dbraw/zinc/02/86/49/225028649.db2.gz BSNOAMAOXXZNMP-WQLSENKSSA-N 0 1 299.330 3.514 20 5 CHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000037509471 260113623 /nfs/dbraw/zinc/11/36/23/260113623.db2.gz KZLYXGVZZWKHSO-VXGBXAGGSA-N 0 1 286.331 3.712 20 5 CHBDMN CC(C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000313600214 260303634 /nfs/dbraw/zinc/30/36/34/260303634.db2.gz AYNNAUHUQFUHTE-UHFFFAOYSA-N 0 1 280.343 3.744 20 5 CHBDMN O=[N+]([O-])c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000152876084 261070805 /nfs/dbraw/zinc/07/08/05/261070805.db2.gz KEKWOAPTHGRITI-UHFFFAOYSA-N 0 1 286.306 3.513 20 5 CHBDMN CCN(CC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000156906866 261134663 /nfs/dbraw/zinc/13/46/63/261134663.db2.gz ZUMDNFCTYIBTNG-UHFFFAOYSA-N 0 1 291.376 3.560 20 5 CHBDMN CC[C@@H](N[C@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000161605080 261253878 /nfs/dbraw/zinc/25/38/78/261253878.db2.gz CCSAHKDIIHPGOX-ZWNOBZJWSA-N 0 1 291.376 3.853 20 5 CHBDMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356686571 266159500 /nfs/dbraw/zinc/15/95/00/266159500.db2.gz VHDHLTLWCQTTKJ-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN CSc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000048068900 327277252 /nfs/dbraw/zinc/27/72/52/327277252.db2.gz UVMFEFAEOYHUQR-UHFFFAOYSA-N 0 1 288.372 3.607 20 5 CHBDMN Cc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000193735318 329061573 /nfs/dbraw/zinc/06/15/73/329061573.db2.gz BTMVZINSIMYMOQ-UHFFFAOYSA-N 0 1 290.750 3.846 20 5 CHBDMN CC[C@H](NCc1ccc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000187441147 329357605 /nfs/dbraw/zinc/35/76/05/329357605.db2.gz ZWRVFSRYZULYJY-KRWDZBQOSA-N 0 1 299.374 3.848 20 5 CHBDMN CSc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000049592767 329640528 /nfs/dbraw/zinc/64/05/28/329640528.db2.gz SVXSTTFPJRISHQ-UHFFFAOYSA-N 0 1 288.372 3.607 20 5 CHBDMN Cc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C)n1 ZINC000421888576 330096676 /nfs/dbraw/zinc/09/66/76/330096676.db2.gz TYBUDSUJZGFGCK-CQSZACIVSA-N 0 1 299.374 3.766 20 5 CHBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc(C)n1 ZINC000421883781 330102661 /nfs/dbraw/zinc/10/26/61/330102661.db2.gz QIHBJCXLNKADED-AWEZNQCLSA-N 0 1 299.374 3.766 20 5 CHBDMN CC(C)(NCc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000080347407 330124160 /nfs/dbraw/zinc/12/41/60/330124160.db2.gz APSGKYMMRDBNSL-UHFFFAOYSA-N 0 1 276.361 3.681 20 5 CHBDMN Cc1ccccc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436477791 330678386 /nfs/dbraw/zinc/67/83/86/330678386.db2.gz ZRIZPBCXSMQIRU-UHFFFAOYSA-N 0 1 275.329 3.901 20 5 CHBDMN CC(C)[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000464774709 331367427 /nfs/dbraw/zinc/36/74/27/331367427.db2.gz PZZIPVWKMKMHTI-DOMZBBRYSA-N 0 1 294.420 3.729 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCC(F)(F)F ZINC000489135641 332042242 /nfs/dbraw/zinc/04/22/42/332042242.db2.gz HNXIATWHSNMTJB-SNVBAGLBSA-N 0 1 290.285 3.848 20 5 CHBDMN C[C@H](C1CCC1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492174177 332385755 /nfs/dbraw/zinc/38/57/55/332385755.db2.gz AEPZBBXFRNSXGQ-SNVBAGLBSA-N 0 1 282.771 3.869 20 5 CHBDMN Cc1ccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000513430411 333018705 /nfs/dbraw/zinc/01/87/05/333018705.db2.gz RJLPRQWFAIXIGX-UHFFFAOYSA-N 0 1 290.388 3.905 20 5 CHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCCCCC1 ZINC000380785551 336028999 /nfs/dbraw/zinc/02/89/99/336028999.db2.gz YJRMVKMDSIEHGM-UHFFFAOYSA-N 0 1 268.744 3.624 20 5 CHBDMN CC[C@@H](N[C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000037010512 522938271 /nfs/dbraw/zinc/93/82/71/522938271.db2.gz ZBVJFJFYGXWTKP-IUODEOHRSA-N 0 1 285.347 3.792 20 5 CHBDMN CC[C@@H](c1ccncc1)N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000130172226 523122658 /nfs/dbraw/zinc/12/26/58/523122658.db2.gz NUKYCZJRQWGDDU-INIZCTEOSA-N 0 1 299.374 3.881 20 5 CHBDMN Cc1ccc(CNCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000048068866 524585801 /nfs/dbraw/zinc/58/58/01/524585801.db2.gz BJFYEVKAORRWDW-UHFFFAOYSA-N 0 1 270.332 3.501 20 5 CHBDMN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc([N+](=O)[O-])cc1 ZINC000130587895 525690661 /nfs/dbraw/zinc/69/06/61/525690661.db2.gz NJRUIQQKHGTNJA-BZNIZROVSA-N 0 1 298.342 3.639 20 5 CHBDMN O=[N+]([O-])c1cc(CN2CCC3(CC3)CC2)ccc1Cl ZINC000706916444 1121443619 /nfs/dbraw/zinc/44/36/19/1121443619.db2.gz SMOHZURJDAYARX-UHFFFAOYSA-N 0 1 280.755 3.624 20 5 CHBDMN CC[C@@H](NCc1cccnc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000886300716 1125666720 /nfs/dbraw/zinc/66/67/20/1125666720.db2.gz OLJHSXIXNVOHBR-MRXNPFEDSA-N 0 1 299.374 3.848 20 5 CHBDMN Cc1ccc([C@H](C)N[C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886550120 1125690301 /nfs/dbraw/zinc/69/03/01/1125690301.db2.gz SLUYATTVMKDVFR-SWLSCSKDSA-N 0 1 297.358 3.636 20 5 CHBDMN CC1=C(c2ccco2)CN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338337641 1126734576 /nfs/dbraw/zinc/73/45/76/1126734576.db2.gz AKFOXWKIWSLESZ-UHFFFAOYSA-N 0 1 298.342 3.867 20 5 CHBDMN O=[N+]([O-])c1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000160892493 1126784448 /nfs/dbraw/zinc/78/44/48/1126784448.db2.gz UQLUGJBCNOADRK-UHFFFAOYSA-N 0 1 294.713 3.677 20 5 CHBDMN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000192594128 1126962542 /nfs/dbraw/zinc/96/25/42/1126962542.db2.gz VXCJEOLWIJNQSR-PXAZEXFGSA-N 0 1 297.358 3.718 20 5 CHBDMN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000192594084 1126962636 /nfs/dbraw/zinc/96/26/36/1126962636.db2.gz VXCJEOLWIJNQSR-YVEFUNNKSA-N 0 1 297.358 3.718 20 5 CHBDMN CCN(Cc1ccncc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000267916296 1127008461 /nfs/dbraw/zinc/00/84/61/1127008461.db2.gz PJRDCWNNNOOQLR-ZDUSSCGKSA-N 0 1 285.347 3.573 20 5 CHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000348539826 1127121377 /nfs/dbraw/zinc/12/13/77/1127121377.db2.gz BMDKVOMQNNJMOF-INIZCTEOSA-N 0 1 268.316 3.542 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000348539826 1127121379 /nfs/dbraw/zinc/12/13/79/1127121379.db2.gz BMDKVOMQNNJMOF-INIZCTEOSA-N 0 1 268.316 3.542 20 5 CHBDMN C[C@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000222262887 1127162128 /nfs/dbraw/zinc/16/21/28/1127162128.db2.gz AGCQSENNJJBJSW-SSDOTTSWSA-N 0 1 296.676 3.679 20 5 CHBDMN CCCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H](C)CCC ZINC000355537596 1127348140 /nfs/dbraw/zinc/34/81/40/1127348140.db2.gz AFNVVINJXOJZKM-CYBMUJFWSA-N 0 1 296.415 3.509 20 5 CHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)C1 ZINC000761053952 1127413036 /nfs/dbraw/zinc/41/30/36/1127413036.db2.gz IFKIOJYXSLACPQ-KOLCDFICSA-N 0 1 288.269 3.540 20 5 CHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccs1 ZINC000595004269 1127445333 /nfs/dbraw/zinc/44/53/33/1127445333.db2.gz OBCSDGRMUXLLRI-SNVBAGLBSA-N 0 1 292.360 3.516 20 5 CHBDMN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000595093329 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C[C@H](NCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526059 262245887 /nfs/dbraw/zinc/24/58/87/262245887.db2.gz CPWSVEAEZBBUFG-NSHDSACASA-N 0 1 274.295 3.585 20 5 CHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCCc3sccc32)cs1 ZINC000061360215 262394932 /nfs/dbraw/zinc/39/49/32/262394932.db2.gz MQGLTAXGVQFRPO-LLVKDONJSA-N 0 1 294.401 3.885 20 5 CHBDMN Cc1occc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358011654 266396522 /nfs/dbraw/zinc/39/65/22/266396522.db2.gz GRDGKZQOHMJUCZ-LLVKDONJSA-N 0 1 274.320 3.655 20 5 CHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccc2)C2CC2)cs1 ZINC000037562974 326855398 /nfs/dbraw/zinc/85/53/98/326855398.db2.gz RSOOLOCYTXOUFH-OAHLLOKOSA-N 0 1 288.372 3.897 20 5 CHBDMN CC1(C)C[C@H](N[C@@H]2CCC[C@@H]2F)c2cc([N+](=O)[O-])ccc21 ZINC000559917523 327271139 /nfs/dbraw/zinc/27/11/39/327271139.db2.gz QJFNGAKWURYCOD-ZNMIVQPWSA-N 0 1 292.354 3.797 20 5 CHBDMN CCC[C@H](NCc1cncc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181827529 329237682 /nfs/dbraw/zinc/23/76/82/329237682.db2.gz 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ZINC000094868963 334506884 /nfs/dbraw/zinc/50/68/84/334506884.db2.gz WVPDOCHAZJLBNH-GHMZBOCLSA-N 0 1 260.293 3.600 20 5 CHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000385653640 336153709 /nfs/dbraw/zinc/15/37/09/336153709.db2.gz CYYAUZAJCVKPEG-MRXNPFEDSA-N 0 1 288.322 3.975 20 5 CHBDMN C[C@@H]1CCC[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000353878477 533825521 /nfs/dbraw/zinc/82/55/21/533825521.db2.gz DEXKCVKVDVTXOY-MNOVXSKESA-N 0 1 268.382 3.667 20 5 CHBDMN CC[C@@H](NCc1ccoc1C)c1cccc([N+](=O)[O-])c1 ZINC000358022424 522887488 /nfs/dbraw/zinc/88/74/88/522887488.db2.gz VZRVMCULSFQCLB-OAHLLOKOSA-N 0 1 274.320 3.737 20 5 CHBDMN Cc1sccc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293109126 526912759 /nfs/dbraw/zinc/91/27/59/526912759.db2.gz YIMXLHHVHZDRPI-UHFFFAOYSA-N 0 1 290.388 3.990 20 5 CHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CC[C@@H]1C ZINC000342077867 535021121 /nfs/dbraw/zinc/02/11/21/535021121.db2.gz SWJHHLMFDNFNJH-STQMWFEESA-N 0 1 292.379 3.755 20 5 CHBDMN Cc1ccccc1[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000885960568 1125630516 /nfs/dbraw/zinc/63/05/16/1125630516.db2.gz NBVCRXASJNZYCO-INIZCTEOSA-N 0 1 297.358 3.635 20 5 CHBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000886540829 1125687022 /nfs/dbraw/zinc/68/70/22/1125687022.db2.gz LNABQOLEXMUDMI-CJNGLKHVSA-N 0 1 297.358 3.573 20 5 CHBDMN CCN(Cc1ccccn1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182843579 1126878547 /nfs/dbraw/zinc/87/85/47/1126878547.db2.gz XDMREOYXKSRBPD-AWEZNQCLSA-N 0 1 299.374 3.881 20 5 CHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000271474705 1127085073 /nfs/dbraw/zinc/08/50/73/1127085073.db2.gz JLIMABLZHMFNPD-MNOVXSKESA-N 0 1 291.376 3.772 20 5 CHBDMN O=[N+]([O-])c1cccc(CNCc2ccc3occc3c2)c1 ZINC000586776480 1127138220 /nfs/dbraw/zinc/13/82/20/1127138220.db2.gz HVBMDBUAKRAWET-UHFFFAOYSA-N 0 1 282.299 3.631 20 5 CHBDMN CCN(CCc1cccs1)Cc1csc([N+](=O)[O-])c1 ZINC000351658990 1127202229 /nfs/dbraw/zinc/20/22/29/1127202229.db2.gz NGQVJHIXHNBXIO-UHFFFAOYSA-N 0 1 296.417 3.782 20 5 CHBDMN Cc1ccc(C(C)(C)NCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000353206339 1127263920 /nfs/dbraw/zinc/26/39/20/1127263920.db2.gz YSTCFPMHMFWYQH-UHFFFAOYSA-N 0 1 299.374 3.632 20 5 CHBDMN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 ZINC000594504373 1127419000 /nfs/dbraw/zinc/41/90/00/1127419000.db2.gz OAPQENSOCVNNGI-QMTHXVAHSA-N 0 1 288.372 3.994 20 5 CHBDMN CCc1cnccc1[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000358513762 1127425256 /nfs/dbraw/zinc/42/52/56/1127425256.db2.gz WGKBDYYGBBVMQA-CYBMUJFWSA-N 0 1 299.374 3.711 20 5 CHBDMN Cc1ccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411500 1127461479 /nfs/dbraw/zinc/46/14/79/1127461479.db2.gz RLAYXLZCVKUQAA-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000360028073 1127487082 /nfs/dbraw/zinc/48/70/82/1127487082.db2.gz QHPDBYMFGPOVFJ-UHFFFAOYSA-N 0 1 268.744 3.623 20 5 CHBDMN O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000361314804 1127555920 /nfs/dbraw/zinc/55/59/20/1127555920.db2.gz SLCOROYBYXIPIY-QZTJIDSGSA-N 0 1 294.354 3.509 20 5 CHBDMN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297384820 1127694703 /nfs/dbraw/zinc/69/47/03/1127694703.db2.gz RHGMTFDYKGCOHI-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001168423486 1127829491 /nfs/dbraw/zinc/82/94/91/1127829491.db2.gz KWXJCPVZMSTGHR-NSHDSACASA-N 0 1 280.343 3.602 20 5 CHBDMN CC(C)[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493382861 1128140564 /nfs/dbraw/zinc/14/05/64/1128140564.db2.gz IWCDEHJFFGKEHV-NSHDSACASA-N 0 1 282.771 3.726 20 5 CHBDMN CCCCC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000934206522 1128454462 /nfs/dbraw/zinc/45/44/62/1128454462.db2.gz ANENYTNMGTVDDA-UHFFFAOYSA-N 0 1 289.335 3.548 20 5 CHBDMN CC[C@@H]1CCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000430193493 1117835064 /nfs/dbraw/zinc/83/50/64/1117835064.db2.gz FJBQNRBUSIOIIH-CYBMUJFWSA-N 0 1 262.353 3.703 20 5 CHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000430222297 1117891993 /nfs/dbraw/zinc/89/19/93/1117891993.db2.gz VFUQXLLYKSOOQG-OAHLLOKOSA-N 0 1 292.379 3.614 20 5 CHBDMN C[C@H]1CCCC[C@@H]1N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307686302 1117928848 /nfs/dbraw/zinc/92/88/48/1117928848.db2.gz SPJRODKFXSNRBZ-BONVTDFDSA-N 0 1 298.333 3.884 20 5 CHBDMN CC(C)(C)c1cc(Nc2ccc(F)cc2[N+](=O)[O-])on1 ZINC001210951586 1118431026 /nfs/dbraw/zinc/43/10/26/1118431026.db2.gz LFAJRZRLOGOEGQ-UHFFFAOYSA-N 0 1 279.271 3.763 20 5 CHBDMN Cc1ccc(CN2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000348675702 1118641747 /nfs/dbraw/zinc/64/17/47/1118641747.db2.gz RDKJWGCXEZGDBE-UHFFFAOYSA-N 0 1 298.342 3.786 20 5 CHBDMN Cc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000510540247 1118766946 /nfs/dbraw/zinc/76/69/46/1118766946.db2.gz UVHPSKMGUMFDTJ-UHFFFAOYSA-N 0 1 262.353 3.525 20 5 CHBDMN Cc1nc2ccc(COc3ccc([N+](=O)[O-])cc3C)cc2[nH]1 ZINC000342654275 1119114414 /nfs/dbraw/zinc/11/44/14/1119114414.db2.gz HYMLLFUMDAUBKL-UHFFFAOYSA-N 0 1 297.314 3.667 20 5 CHBDMN Cc1ncsc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000132423515 1120438729 /nfs/dbraw/zinc/43/87/29/1120438729.db2.gz PWJPBZVFISHLHH-SNVBAGLBSA-N 0 1 291.376 3.519 20 5 CHBDMN C[C@@H](c1ccco1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131043738 1120511216 /nfs/dbraw/zinc/51/12/16/1120511216.db2.gz WTQFZRGHUAGMGT-LJLILKBBSA-N 0 1 286.331 3.894 20 5 CHBDMN C[C@@H](c1ccco1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131043738 1120511219 /nfs/dbraw/zinc/51/12/19/1120511219.db2.gz WTQFZRGHUAGMGT-LJLILKBBSA-N 0 1 286.331 3.894 20 5 CHBDMN Cc1ccc2nc(-c3csc([N+](=O)[O-])c3)[nH]c2c1 ZINC000154632540 1120553908 /nfs/dbraw/zinc/55/39/08/1120553908.db2.gz SMBNLLJEFJHZSZ-UHFFFAOYSA-N 0 1 259.290 3.508 20 5 CHBDMN Cc1c(CN(C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000051455381 1120924223 /nfs/dbraw/zinc/92/42/23/1120924223.db2.gz DTXRZZYCVBVUQI-UHFFFAOYSA-N 0 1 276.361 3.597 20 5 CHBDMN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000343979485 1121028808 /nfs/dbraw/zinc/02/88/08/1121028808.db2.gz NHZJAMIEMQLFRY-SWLSCSKDSA-N 0 1 285.347 3.792 20 5 CHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(F)(F)CC1 ZINC000619434103 1128991779 /nfs/dbraw/zinc/99/17/79/1128991779.db2.gz NLSUUTWXYNXSNS-XFXZXTDPSA-N 0 1 296.317 3.729 20 5 CHBDMN Cc1ccc2c(c1)[C@@H](NCc1csc([N+](=O)[O-])c1)CC2 ZINC000611439171 1121647835 /nfs/dbraw/zinc/64/78/35/1121647835.db2.gz IMVYFGBQLUSNOC-AWEZNQCLSA-N 0 1 288.372 3.742 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1 ZINC000183207137 1129034068 /nfs/dbraw/zinc/03/40/68/1129034068.db2.gz DLQTYZWPORDYAE-UHFFFAOYSA-N 0 1 270.332 3.535 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccccc1 ZINC000183207137 1129034069 /nfs/dbraw/zinc/03/40/69/1129034069.db2.gz DLQTYZWPORDYAE-UHFFFAOYSA-N 0 1 270.332 3.535 20 5 CHBDMN CC(C)CN(Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000505615450 1122438272 /nfs/dbraw/zinc/43/82/72/1122438272.db2.gz ZQYLMGVJQBKPRI-UHFFFAOYSA-N 0 1 268.332 3.600 20 5 CHBDMN CCCC[C@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000516217829 1122578440 /nfs/dbraw/zinc/57/84/40/1122578440.db2.gz UEAMCNPUYJIHOL-JTQLQIEISA-N 0 1 256.371 3.667 20 5 CHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H]2CCC[C@@H]21 ZINC000426524700 1122812881 /nfs/dbraw/zinc/81/28/81/1122812881.db2.gz PNQPWWYAGKGMAB-MFKMUULPSA-N 0 1 280.755 3.623 20 5 CHBDMN O=[N+]([O-])c1cccc(Cl)c1-c1nc2ccc(F)cc2[nH]1 ZINC001250656241 1122877086 /nfs/dbraw/zinc/87/70/86/1122877086.db2.gz JOONLKBNDWSOGP-UHFFFAOYSA-N 0 1 291.669 3.931 20 5 CHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC2(CCCC2)C1 ZINC000851791089 1123380992 /nfs/dbraw/zinc/38/09/92/1123380992.db2.gz SSJWPBHBMGDFIE-UHFFFAOYSA-N 0 1 278.327 3.500 20 5 CHBDMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866448512 1124066056 /nfs/dbraw/zinc/06/60/56/1124066056.db2.gz HMMKWKXVSZPUHC-LEWSCRJBSA-N 0 1 266.316 3.526 20 5 CHBDMN COc1cc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2cc1C ZINC000446158370 1124110732 /nfs/dbraw/zinc/11/07/32/1124110732.db2.gz UQUPFYFVOWZGSL-UHFFFAOYSA-N 0 1 289.316 3.517 20 5 CHBDMN C[C@@H](Cc1ccco1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020399 1124658041 /nfs/dbraw/zinc/65/80/41/1124658041.db2.gz HANNUTNKGBXZPU-QWRGUYRKSA-N 0 1 292.310 3.609 20 5 CHBDMN Cc1c(CN[C@@H]2c3ccccc3O[C@H]2C)cccc1[N+](=O)[O-] ZINC000873127973 1124739855 /nfs/dbraw/zinc/73/98/55/1124739855.db2.gz YOZQXCRWDSGNDU-SJCJKPOMSA-N 0 1 298.342 3.515 20 5 CHBDMN Cc1cc(F)ccc1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000815590139 1131004524 /nfs/dbraw/zinc/00/45/24/1131004524.db2.gz NAQUQHSYWKSIDC-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001115984278 1131124328 /nfs/dbraw/zinc/12/43/28/1131124328.db2.gz NGIGNZUCSHERGD-OLZOCXBDSA-N 0 1 292.354 3.746 20 5 CHBDMN CC[C@H]1CCCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230596066 1132197957 /nfs/dbraw/zinc/19/79/57/1132197957.db2.gz OXNISSUVSHFSDD-HZMBPMFUSA-N 0 1 289.335 3.819 20 5 CHBDMN C[C@@H]1CC[C@H](C)[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230600812 1132198185 /nfs/dbraw/zinc/19/81/85/1132198185.db2.gz IRBSGHCTPCNMGQ-ISTVAULSSA-N 0 1 289.335 3.675 20 5 CHBDMN CCCCC[C@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230596815 1132198316 /nfs/dbraw/zinc/19/83/16/1132198316.db2.gz UHJSCRYNPSKMCW-JTQLQIEISA-N 0 1 277.324 3.819 20 5 CHBDMN C[C@@H]1CCC[C@H](C)[C@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601263 1132198630 /nfs/dbraw/zinc/19/86/30/1132198630.db2.gz LNSYRBJJJHNMLO-RTUWITSCSA-N 0 1 289.335 3.675 20 5 CHBDMN c1cnc2c(c1)ccc1ccc(C[N@H+]3CCC[C@H]4C[C@H]43)nc12 ZINC001232222334 1132438334 /nfs/dbraw/zinc/43/83/34/1132438334.db2.gz AYBYNTOJBQWMLG-DOTOQJQBSA-N 0 1 289.382 3.767 20 5 CHBDMN Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)cc(C)c1F ZINC001210399196 1134208903 /nfs/dbraw/zinc/20/89/03/1134208903.db2.gz SSHKFRZQBGQSLH-UHFFFAOYSA-N 0 1 276.267 3.800 20 5 CHBDMN Cc1ccc(Nc2cc(C(C)C)no2)c([N+](=O)[O-])c1 ZINC001214165614 1134515261 /nfs/dbraw/zinc/51/52/61/1134515261.db2.gz ZGUVWSPKPRRVOG-UHFFFAOYSA-N 0 1 261.281 3.758 20 5 CHBDMN CC[C@H](C)CC[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491589 1135576242 /nfs/dbraw/zinc/57/62/42/1135576242.db2.gz RISGYGZHJMNYOD-QWRGUYRKSA-N 0 1 267.325 3.894 20 5 CHBDMN CCC[C@H](C)[C@@H](CC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225494081 1135576434 /nfs/dbraw/zinc/57/64/34/1135576434.db2.gz LPEOMNYTZVTFDT-GXFFZTMASA-N 0 1 267.325 3.894 20 5 CHBDMN Cc1ccc(C(C)(C)NCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000353582498 533633681 /nfs/dbraw/zinc/63/36/81/533633681.db2.gz RTIGYRYHHGGSBU-UHFFFAOYSA-N 0 1 299.374 3.632 20 5 CHBDMN C[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000020526192 171239480 /nfs/dbraw/zinc/23/94/80/171239480.db2.gz FGYWSWCBXUQDGC-WBMJQRKESA-N 0 1 282.343 3.933 20 5 CHBDMN O=[N+]([O-])c1cc(CN2CCC[C@]3(CC=CCC3)C2)cs1 ZINC000353897344 226808497 /nfs/dbraw/zinc/80/84/97/226808497.db2.gz HXLTZPFZBDMKHE-OAHLLOKOSA-N 0 1 292.404 3.979 20 5 CHBDMN C[C@H]1Cc2ccccc2CN1Cc1ccccc1[N+](=O)[O-] ZINC000353657914 228140755 /nfs/dbraw/zinc/14/07/55/228140755.db2.gz VFHYDXQYHKPLFT-ZDUSSCGKSA-N 0 1 282.343 3.542 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1cccs1 ZINC000015301423 260362551 /nfs/dbraw/zinc/36/25/51/260362551.db2.gz WMUBNOHUPRYFKD-CQSZACIVSA-N 0 1 288.372 3.993 20 5 CHBDMN C[C@@H](NCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526058 262245965 /nfs/dbraw/zinc/24/59/65/262245965.db2.gz CPWSVEAEZBBUFG-LLVKDONJSA-N 0 1 274.295 3.585 20 5 CHBDMN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000094837895 265264034 /nfs/dbraw/zinc/26/40/34/265264034.db2.gz AILCPMRAZIKFHO-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN CC(C)OC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000531164910 327744240 /nfs/dbraw/zinc/74/42/40/327744240.db2.gz ZDWNISFTXHVSEZ-ZDUSSCGKSA-N 0 1 292.379 3.545 20 5 CHBDMN C[C@H](NC/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000557462428 327006755 /nfs/dbraw/zinc/00/67/55/327006755.db2.gz AFUYPZCFELLJNN-RNVIBTMRSA-N 0 1 282.343 3.959 20 5 CHBDMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089511928 327170720 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295.361 3.717 20 5 CHBDMN CCC[C@@H](C)c1cc(Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC001210392613 1134207089 /nfs/dbraw/zinc/20/70/89/1134207089.db2.gz IJPWIWOCNYQWGX-SECBINFHSA-N 0 1 291.307 3.936 20 5 CHBDMN CCc1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399153 1134208371 /nfs/dbraw/zinc/20/83/71/1134208371.db2.gz SDQHPOAXJPEQJQ-UHFFFAOYSA-N 0 1 258.277 3.606 20 5 CHBDMN Cc1cc(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1N ZINC001210400886 1134209451 /nfs/dbraw/zinc/20/94/51/1134209451.db2.gz MRFVRWOPOYONIA-UHFFFAOYSA-N 0 1 287.319 3.551 20 5 CHBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1F ZINC001225489593 1135574744 /nfs/dbraw/zinc/57/47/44/1135574744.db2.gz YWNDRSRNQVVNGU-VIFPVBQESA-N 0 1 277.251 3.580 20 5 CHBDMN C[C@@H]1CC(Oc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001225492289 1135575794 /nfs/dbraw/zinc/57/57/94/1135575794.db2.gz VOAQJJTWXQDFLP-UWVGGRQHSA-N 0 1 265.309 3.504 20 5 CHBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCc2cc(F)ccc21 ZINC001225494180 1135577578 /nfs/dbraw/zinc/57/75/78/1135577578.db2.gz OPTKBKUOWKJNJO-AWEZNQCLSA-N 0 1 289.262 3.506 20 5 CHBDMN C[C@H](Oc1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001226928126 1135762205 /nfs/dbraw/zinc/76/22/05/1135762205.db2.gz HDHQPOSRRBHAIG-JTQLQIEISA-N 0 1 283.287 3.611 20 5 CHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccs1 ZINC000035139632 172007795 /nfs/dbraw/zinc/00/77/95/172007795.db2.gz VTNBHKIRNJGDGO-JTQLQIEISA-N 0 1 292.360 3.516 20 5 CHBDMN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000035307947 172121241 /nfs/dbraw/zinc/12/12/41/172121241.db2.gz XYYHGYUGJCLFFR-NSHDSACASA-N 0 1 274.295 3.585 20 5 CHBDMN C[C@H](N[C@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1 ZINC000037177173 260072624 /nfs/dbraw/zinc/07/26/24/260072624.db2.gz KBRQMMBKYFZHAB-NHYWBVRUSA-N 0 1 286.331 3.916 20 5 CHBDMN C[C@@H](N[C@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1 ZINC000037177174 260072812 /nfs/dbraw/zinc/07/28/12/260072812.db2.gz KBRQMMBKYFZHAB-ABAIWWIYSA-N 0 1 286.331 3.916 20 5 CHBDMN Cc1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000180825194 260133168 /nfs/dbraw/zinc/13/31/68/260133168.db2.gz OOCLOETVRDQBOL-UGSOOPFHSA-N 0 1 296.370 3.926 20 5 CHBDMN Cc1nc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000076866785 260166803 /nfs/dbraw/zinc/16/68/03/260166803.db2.gz CPHIJZUVDUBEAG-SECBINFHSA-N 0 1 291.376 3.519 20 5 CHBDMN CC[C@H](N[C@@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000161604682 261253852 /nfs/dbraw/zinc/25/38/52/261253852.db2.gz CCSAHKDIIHPGOX-GWCFXTLKSA-N 0 1 291.376 3.853 20 5 CHBDMN C[C@H](NCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000020526307 262246129 /nfs/dbraw/zinc/24/61/29/262246129.db2.gz JDJRUSNCGDHEEM-NSHDSACASA-N 0 1 274.295 3.585 20 5 CHBDMN CC[C@]1(C)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525795589 262348195 /nfs/dbraw/zinc/34/81/95/262348195.db2.gz JJAJWCGIPFFOJN-MRXNPFEDSA-N 0 1 292.379 3.616 20 5 CHBDMN CC[C@]1(C)CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525795589 262348197 /nfs/dbraw/zinc/34/81/97/262348197.db2.gz JJAJWCGIPFFOJN-MRXNPFEDSA-N 0 1 292.379 3.616 20 5 CHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccoc1)CCCC2 ZINC000417336798 263802520 /nfs/dbraw/zinc/80/25/20/263802520.db2.gz IGUBZXDRVAUQDP-INIZCTEOSA-N 0 1 286.331 3.745 20 5 CHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(CC(F)F)C1 ZINC000425366756 264212417 /nfs/dbraw/zinc/21/24/17/264212417.db2.gz QWAVJFOVWFKXCM-WZUFQYTHSA-N 0 1 296.317 3.585 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1c2ccccc2O[C@@H]1C ZINC000367402348 267072133 /nfs/dbraw/zinc/07/21/33/267072133.db2.gz QWYDVUYDCVCCPG-PXAZEXFGSA-N 0 1 298.342 3.515 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCOc2ccccc21 ZINC000171129324 327752199 /nfs/dbraw/zinc/75/21/99/327752199.db2.gz OABVEQAWBVUOBU-OAHLLOKOSA-N 0 1 298.342 3.598 20 5 CHBDMN Cc1c(CN[C@H](C)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000048335038 328053129 /nfs/dbraw/zinc/05/31/29/328053129.db2.gz CLKNPCVUUNWEJG-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN CC(C)OC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000530926288 326897043 /nfs/dbraw/zinc/89/70/43/326897043.db2.gz QIOWAKCMPPSBLR-CYBMUJFWSA-N 0 1 292.379 3.545 20 5 CHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000053149522 328663497 /nfs/dbraw/zinc/66/34/97/328663497.db2.gz PGXMRIJVSVMMIV-UHFFFAOYSA-N 0 1 294.713 3.677 20 5 CHBDMN CC[C@@H](NCc1occc1C)c1cccc([N+](=O)[O-])c1 ZINC000267297498 328839775 /nfs/dbraw/zinc/83/97/75/328839775.db2.gz TUCYAXWTQTXAOK-CQSZACIVSA-N 0 1 274.320 3.737 20 5 CHBDMN C[C@@H](NCc1cccc2[nH]ccc21)c1ccccc1[N+](=O)[O-] ZINC000537023758 330385630 /nfs/dbraw/zinc/38/56/30/330385630.db2.gz LPAMOWFIDNKXKY-GFCCVEGCSA-N 0 1 295.342 3.927 20 5 CHBDMN Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000429266578 330541462 /nfs/dbraw/zinc/54/14/62/330541462.db2.gz JBCQVXSKVZSLMU-UHFFFAOYSA-N 0 1 299.374 3.632 20 5 CHBDMN CCc1cccnc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478497910 331707500 /nfs/dbraw/zinc/70/75/00/331707500.db2.gz LETXCIPNYBAMLP-ZDUSSCGKSA-N 0 1 299.374 3.711 20 5 CHBDMN C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC(F)(F)C1 ZINC000513897386 333048122 /nfs/dbraw/zinc/04/81/22/333048122.db2.gz PWXSWGYKKRMVCO-GFCCVEGCSA-N 0 1 298.333 3.852 20 5 CHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000094868962 334506790 /nfs/dbraw/zinc/50/67/90/334506790.db2.gz WVPDOCHAZJLBNH-WDEREUQCSA-N 0 1 260.293 3.600 20 5 CHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000094868960 334506872 /nfs/dbraw/zinc/50/68/72/334506872.db2.gz WVPDOCHAZJLBNH-QWRGUYRKSA-N 0 1 260.293 3.600 20 5 CHBDMN CC(C)(NCc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000291746857 519323711 /nfs/dbraw/zinc/32/37/11/519323711.db2.gz PRVVISZZLNDKMY-UHFFFAOYSA-N 0 1 288.322 3.759 20 5 CHBDMN CC(C)(NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000299632147 519324385 /nfs/dbraw/zinc/32/43/85/519324385.db2.gz NRUCJWPOIYLLJE-UHFFFAOYSA-N 0 1 276.361 3.681 20 5 CHBDMN CCC[C@H](NCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000020141425 521163007 /nfs/dbraw/zinc/16/30/07/521163007.db2.gz NBRQCFNNPHJENL-INIZCTEOSA-N 0 1 285.347 3.621 20 5 CHBDMN CC[C@H](NCc1ccoc1C)c1cccc([N+](=O)[O-])c1 ZINC000358022422 522660912 /nfs/dbraw/zinc/66/09/12/522660912.db2.gz VZRVMCULSFQCLB-HNNXBMFYSA-N 0 1 274.320 3.737 20 5 CHBDMN CC[C@@H](NCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000063152254 522887601 /nfs/dbraw/zinc/88/76/01/522887601.db2.gz XGBHPVYIXNAOCS-CQSZACIVSA-N 0 1 276.361 3.897 20 5 CHBDMN C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)CC12CCC2 ZINC000357019728 524297714 /nfs/dbraw/zinc/29/77/14/524297714.db2.gz CSRAAEKVVPFBLV-NSHDSACASA-N 0 1 280.393 3.668 20 5 CHBDMN Cc1ccccc1C(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000292916326 525074880 /nfs/dbraw/zinc/07/48/80/525074880.db2.gz HUPQRYMBCPUJQL-UHFFFAOYSA-N 0 1 290.388 3.990 20 5 CHBDMN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc([N+](=O)[O-])cc1 ZINC000130587467 525649608 /nfs/dbraw/zinc/64/96/08/525649608.db2.gz NJRUIQQKHGTNJA-BDJLRTHQSA-N 0 1 298.342 3.639 20 5 CHBDMN Cc1ccsc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291669346 525857752 /nfs/dbraw/zinc/85/77/52/525857752.db2.gz GFEWQOWGYJUOQK-UHFFFAOYSA-N 0 1 290.388 3.990 20 5 CHBDMN C[C@H](c1cccs1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774591 526153143 /nfs/dbraw/zinc/15/31/43/526153143.db2.gz WAJMFFJFRLVPRL-SNVBAGLBSA-N 0 1 294.351 3.988 20 5 CHBDMN Cc1ncc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000040997555 527275864 /nfs/dbraw/zinc/27/58/64/527275864.db2.gz ZAFCEDLJRXISAY-JTQLQIEISA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1ccc([C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885926576 1125627258 /nfs/dbraw/zinc/62/72/58/1125627258.db2.gz GAASNDKQRVQHRM-MRXNPFEDSA-N 0 1 297.358 3.635 20 5 CHBDMN CCc1ccc(C(C)(C)NCc2cccnc2[N+](=O)[O-])cc1 ZINC000886111619 1125651321 /nfs/dbraw/zinc/65/13/21/1125651321.db2.gz FOWFVWYVFSAJIQ-UHFFFAOYSA-N 0 1 299.374 3.577 20 5 CHBDMN Cc1ccc([C@@H](C)N[C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886550118 1125688373 /nfs/dbraw/zinc/68/83/73/1125688373.db2.gz SLUYATTVMKDVFR-DOMZBBRYSA-N 0 1 297.358 3.636 20 5 CHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000169130590 1125704559 /nfs/dbraw/zinc/70/45/59/1125704559.db2.gz BZKLSHULUZOHGB-MRXNPFEDSA-N 0 1 288.322 3.975 20 5 CHBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000192609294 1126962127 /nfs/dbraw/zinc/96/21/27/1126962127.db2.gz KZOQTOPNKGBZHW-SJCJKPOMSA-N 0 1 297.358 3.718 20 5 CHBDMN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000192609313 1126962405 /nfs/dbraw/zinc/96/24/05/1126962405.db2.gz KZOQTOPNKGBZHW-PXAZEXFGSA-N 0 1 297.358 3.718 20 5 CHBDMN C[C@@H](NC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266806012 1126988120 /nfs/dbraw/zinc/98/81/20/1126988120.db2.gz UBRTZMGRMPVCCT-CYBMUJFWSA-N 0 1 282.343 3.935 20 5 CHBDMN C[C@@H](CF)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000588930512 1127207539 /nfs/dbraw/zinc/20/75/39/1127207539.db2.gz KABMGVKYNGPERF-JTQLQIEISA-N 0 1 294.351 3.771 20 5 CHBDMN CC(C)c1ccc(CN2CC(C3CC3)C2)cc1[N+](=O)[O-] ZINC000589736773 1127234902 /nfs/dbraw/zinc/23/49/02/1127234902.db2.gz LJWZENRZVQNPMC-UHFFFAOYSA-N 0 1 274.364 3.560 20 5 CHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000761045767 1127408389 /nfs/dbraw/zinc/40/83/89/1127408389.db2.gz QZLYSMHFCFWEBS-NXEZZACHSA-N 0 1 288.269 3.540 20 5 CHBDMN Cc1ccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411499 1127461613 /nfs/dbraw/zinc/46/16/13/1127461613.db2.gz RLAYXLZCVKUQAA-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN C[C@H]1CC[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000359541036 1127467026 /nfs/dbraw/zinc/46/70/26/1127467026.db2.gz CYVQNYJDXHYYAS-BLLLJJGKSA-N 0 1 292.354 3.746 20 5 CHBDMN C[C@@H]1CC[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000359541039 1127467419 /nfs/dbraw/zinc/46/74/19/1127467419.db2.gz CYVQNYJDXHYYAS-MLGOLLRUSA-N 0 1 292.354 3.746 20 5 CHBDMN Cc1noc(CN(C)C[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000599633287 1127684283 /nfs/dbraw/zinc/68/42/83/1127684283.db2.gz PLTXSQLBNIMWRC-LLVKDONJSA-N 0 1 295.383 3.539 20 5 CHBDMN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297197729 1127690836 /nfs/dbraw/zinc/69/08/36/1127690836.db2.gz FUVYCUBLECBRRC-QWHCGFSZSA-N 0 1 285.347 3.710 20 5 CHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000604484442 1127706246 /nfs/dbraw/zinc/70/62/46/1127706246.db2.gz NECXRDKVRCWMHH-QGZVFWFLSA-N 0 1 298.342 3.638 20 5 CHBDMN Cc1cc(N2CC=C(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542123362 1128051903 /nfs/dbraw/zinc/05/19/03/1128051903.db2.gz RNNDQZMSEFRQFQ-UHFFFAOYSA-N 0 1 283.331 3.608 20 5 CHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C)CC1 ZINC000609193643 1128170874 /nfs/dbraw/zinc/17/08/74/1128170874.db2.gz QZQAXAZXAINNNN-UHFFFAOYSA-N 0 1 292.379 3.614 20 5 CHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C ZINC000609193664 1128171026 /nfs/dbraw/zinc/17/10/26/1128171026.db2.gz RVVAJKJLSKGIHY-CYBMUJFWSA-N 0 1 292.379 3.756 20 5 CHBDMN CCN(CCC1CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494652277 1128185764 /nfs/dbraw/zinc/18/57/64/1128185764.db2.gz IDZPZYBYTCDZIK-UHFFFAOYSA-N 0 1 282.771 3.870 20 5 CHBDMN Cc1occc1CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092438489 1128276902 /nfs/dbraw/zinc/27/69/02/1128276902.db2.gz SOWCGWLCUHDENU-FNORWQNLSA-N 0 1 286.331 3.641 20 5 CHBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000916152114 1128409711 /nfs/dbraw/zinc/40/97/11/1128409711.db2.gz NKILBOYLNKXRFI-CYBMUJFWSA-N 0 1 282.343 3.714 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000562735913 1128419671 /nfs/dbraw/zinc/41/96/71/1128419671.db2.gz SKDURVODLYQDLR-KCPJHIHWSA-N 0 1 280.343 3.835 20 5 CHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cncs1 ZINC000934194818 1128453829 /nfs/dbraw/zinc/45/38/29/1128453829.db2.gz HPPMIMUIMVJBTI-WDEREUQCSA-N 0 1 291.376 3.772 20 5 CHBDMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1c([N+](=O)[O-])ncn1C ZINC000339649857 1117946112 /nfs/dbraw/zinc/94/61/12/1117946112.db2.gz HEXYUPPXGWTEER-CYBMUJFWSA-N 0 1 296.415 3.509 20 5 CHBDMN CCCC[C@@H](C)N(CCCC)Cc1c([N+](=O)[O-])ncn1C ZINC000339649857 1117946117 /nfs/dbraw/zinc/94/61/17/1117946117.db2.gz HEXYUPPXGWTEER-CYBMUJFWSA-N 0 1 296.415 3.509 20 5 CHBDMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000359864333 1118007386 /nfs/dbraw/zinc/00/73/86/1118007386.db2.gz ABOSACPGDLRGCB-CXAGYDPISA-N 0 1 297.358 3.573 20 5 CHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000043389767 1118078259 /nfs/dbraw/zinc/07/82/59/1118078259.db2.gz KAQQQSIEPNNCRJ-UHFFFAOYSA-N 0 1 294.713 3.677 20 5 CHBDMN Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC001210395036 1118272350 /nfs/dbraw/zinc/27/23/50/1118272350.db2.gz OCKYRXIOEZLRPW-UHFFFAOYSA-N 0 1 258.277 3.661 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2cccc3ccc(O)cc32)ccc1O ZINC001210397724 1118273393 /nfs/dbraw/zinc/27/33/93/1118273393.db2.gz FUKQQEPOADGPDN-UHFFFAOYSA-N 0 1 296.282 3.903 20 5 CHBDMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000610003514 1118279622 /nfs/dbraw/zinc/27/96/22/1118279622.db2.gz GFXRRMUSQIGOIN-OAHLLOKOSA-N 0 1 298.386 3.966 20 5 CHBDMN Cc1ncc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000616357420 1128787151 /nfs/dbraw/zinc/78/71/51/1128787151.db2.gz AGTGTSFMSGNZPP-JTQLQIEISA-N 0 1 291.376 3.519 20 5 CHBDMN Cc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000294233430 1119623281 /nfs/dbraw/zinc/62/32/81/1119623281.db2.gz OLJPEBJBZABPQK-LLVKDONJSA-N 0 1 276.361 3.816 20 5 CHBDMN O=[N+]([O-])c1ccc(CN2CCC3(C2)CCCCC3)c(F)c1 ZINC000314186548 1120174785 /nfs/dbraw/zinc/17/47/85/1120174785.db2.gz PBRQIPRBHMCOOD-UHFFFAOYSA-N 0 1 292.354 3.890 20 5 CHBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C ZINC000542931767 1120259971 /nfs/dbraw/zinc/25/99/71/1120259971.db2.gz TYHHLMPPFFDJAN-UHFFFAOYSA-N 0 1 270.760 3.726 20 5 CHBDMN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000313886331 1120414974 /nfs/dbraw/zinc/41/49/74/1120414974.db2.gz CYKUQNQTFWCLJR-AWEZNQCLSA-N 0 1 299.374 3.766 20 5 CHBDMN C[C@H](c1ccco1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131043940 1120510525 /nfs/dbraw/zinc/51/05/25/1120510525.db2.gz WTQFZRGHUAGMGT-OQHXTRMZSA-N 0 1 286.331 3.894 20 5 CHBDMN C[C@H](c1ccco1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000131043940 1120510528 /nfs/dbraw/zinc/51/05/28/1120510528.db2.gz WTQFZRGHUAGMGT-OQHXTRMZSA-N 0 1 286.331 3.894 20 5 CHBDMN Cc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000123276136 1120539543 /nfs/dbraw/zinc/53/95/43/1120539543.db2.gz LAFVEQPSEHMXEC-UHFFFAOYSA-N 0 1 288.322 3.641 20 5 CHBDMN C[C@H](c1ccccn1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000350363287 1120651466 /nfs/dbraw/zinc/65/14/66/1120651466.db2.gz XOPNJWSGGUOVNY-IUCKJTJTSA-N 0 1 297.358 3.696 20 5 CHBDMN Cc1ccc(CN2CCC(F)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC001176753902 1121692754 /nfs/dbraw/zinc/69/27/54/1121692754.db2.gz NPVITRKIYFKGHR-UHFFFAOYSA-N 0 1 292.354 3.617 20 5 CHBDMN CC(C)(F)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179314386 1121870816 /nfs/dbraw/zinc/87/08/16/1121870816.db2.gz BKJSWBODHHLUQQ-UHFFFAOYSA-N 0 1 292.310 3.693 20 5 CHBDMN CCN(Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000505571194 1122422364 /nfs/dbraw/zinc/42/23/64/1122422364.db2.gz WGHFPEQRHPTTRJ-UHFFFAOYSA-N 0 1 280.343 3.889 20 5 CHBDMN Cc1cc(N2CCC=C(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000435588526 1122476548 /nfs/dbraw/zinc/47/65/48/1122476548.db2.gz MZQHZVFYMKHKMN-UHFFFAOYSA-N 0 1 283.331 3.608 20 5 CHBDMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001194533934 1122781911 /nfs/dbraw/zinc/78/19/11/1122781911.db2.gz MNFMUUMEYVNAJE-INIZCTEOSA-N 0 1 292.379 3.701 20 5 CHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426488824 1122804868 /nfs/dbraw/zinc/80/48/68/1122804868.db2.gz XYWRPEXWKYCUAJ-GXFFZTMASA-N 0 1 280.755 3.623 20 5 CHBDMN CC[C@@H](CC(F)F)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869760 1123385942 /nfs/dbraw/zinc/38/59/42/1123385942.db2.gz QCPDTHXEWMTERZ-NSHDSACASA-N 0 1 298.333 3.634 20 5 CHBDMN Cc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000084439725 1129152705 /nfs/dbraw/zinc/15/27/05/1129152705.db2.gz YHEFTNFXZKBMHB-UHFFFAOYSA-N 0 1 290.750 3.846 20 5 CHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCC2(CCCC2)C1 ZINC000445873952 1124105780 /nfs/dbraw/zinc/10/57/80/1124105780.db2.gz HFRLAJRVXVGLCD-UHFFFAOYSA-N 0 1 292.354 3.890 20 5 CHBDMN C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000252216492 1129558905 /nfs/dbraw/zinc/55/89/05/1129558905.db2.gz XVKOUWJXNCMXHX-MNOVXSKESA-N 0 1 282.771 3.869 20 5 CHBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)C1 ZINC000801539451 1129925824 /nfs/dbraw/zinc/92/58/24/1129925824.db2.gz GWQNJRWLHCYDQU-NSHDSACASA-N 0 1 280.343 3.602 20 5 CHBDMN C[C@@H](CN[C@@H](C)c1cscn1)c1ccccc1[N+](=O)[O-] ZINC000903246865 1130135957 /nfs/dbraw/zinc/13/59/57/1130135957.db2.gz XWXCYUWSYNWMAO-QWRGUYRKSA-N 0 1 291.376 3.506 20 5 CHBDMN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC001170785341 1130989625 /nfs/dbraw/zinc/98/96/25/1130989625.db2.gz ZVTRRTXLPCCJTE-JSGCOSHPSA-N 0 1 291.395 3.636 20 5 CHBDMN C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1cccs1 ZINC001230595088 1132198052 /nfs/dbraw/zinc/19/80/52/1132198052.db2.gz JBXUGQFWNXJVLW-MRVPVSSYSA-N 0 1 289.316 3.673 20 5 CHBDMN Cc1ccc(Nc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC001159662830 1132887713 /nfs/dbraw/zinc/88/77/13/1132887713.db2.gz GWVZXGXUPIOZIU-UHFFFAOYSA-N 0 1 268.276 3.523 20 5 CHBDMN CCC[C@H](C)c1cc(Nc2ccc([N+](=O)[O-])nc2)on1 ZINC001203560157 1133339719 /nfs/dbraw/zinc/33/97/19/1133339719.db2.gz IAYOLRJHDWVEPU-VIFPVBQESA-N 0 1 276.296 3.625 20 5 CHBDMN CC(C)(C)c1nsc(Nc2cccc([N+](=O)[O-])c2F)n1 ZINC001210378626 1134203947 /nfs/dbraw/zinc/20/39/47/1134203947.db2.gz KXZFSRXRSKDKCF-UHFFFAOYSA-N 0 1 296.327 3.627 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2cc(F)cc3cccnc32)ccc1O ZINC001210399680 1134208527 /nfs/dbraw/zinc/20/85/27/1134208527.db2.gz YJRPYWJURABIFI-UHFFFAOYSA-N 0 1 299.261 3.731 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2ccc(-c3cnco3)cc2)ccc1O ZINC001210400356 1134209012 /nfs/dbraw/zinc/20/90/12/1134209012.db2.gz GRAGFCYJXQBXDF-UHFFFAOYSA-N 0 1 297.270 3.699 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2ccc(O)c3ccccc23)ccc1O ZINC001210401389 1134209103 /nfs/dbraw/zinc/20/91/03/1134209103.db2.gz UURYZJSGLOUNRV-UHFFFAOYSA-N 0 1 296.282 3.903 20 5 CHBDMN Cc1ccc(Nc2ccc(F)c(F)c2O)cc1[N+](=O)[O-] ZINC001213672841 1134477462 /nfs/dbraw/zinc/47/74/62/1134477462.db2.gz YPMZRADWTNXHSC-UHFFFAOYSA-N 0 1 280.230 3.631 20 5 CHBDMN CCC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])[C@H](C)CC ZINC001225489885 1135575189 /nfs/dbraw/zinc/57/51/89/1135575189.db2.gz CTMFZBOLSIPFMN-ZWNOBZJWSA-N 0 1 267.325 3.894 20 5 CHBDMN C[C@@H]1CC[C@@H](C)[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491568 1135575870 /nfs/dbraw/zinc/57/58/70/1135575870.db2.gz QNDRPLXJYJNPHS-GIPNMCIBSA-N 0 1 265.309 3.504 20 5 CHBDMN CC[C@H](Oc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC001225490161 1135576090 /nfs/dbraw/zinc/57/60/90/1135576090.db2.gz GGUIHQCFSBUPHU-LBPRGKRZSA-N 0 1 253.298 3.504 20 5 CHBDMN C[C@@H]1C[C@@H](C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037403651 173180013 /nfs/dbraw/zinc/18/00/13/173180013.db2.gz FYBDOAZIZPKZET-GHMZBOCLSA-N 0 1 282.771 3.726 20 5 CHBDMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000037509469 260113887 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CC(C)CCC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492642 1135575847 /nfs/dbraw/zinc/57/58/47/1135575847.db2.gz ZJUVCVYFHQWLKC-LLVKDONJSA-N 0 1 267.325 3.894 20 5 CHBDMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1 ZINC000037177172 260072901 /nfs/dbraw/zinc/07/29/01/260072901.db2.gz KBRQMMBKYFZHAB-IAQYHMDHSA-N 0 1 286.331 3.916 20 5 CHBDMN CCC[C@@H](NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000129308626 260385250 /nfs/dbraw/zinc/38/52/50/260385250.db2.gz DMYQVRJVMQQVHP-OAHLLOKOSA-N 0 1 274.320 3.819 20 5 CHBDMN CCN(Cc1ccccn1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182843597 261952603 /nfs/dbraw/zinc/95/26/03/261952603.db2.gz XDMREOYXKSRBPD-CQSZACIVSA-N 0 1 299.374 3.881 20 5 CHBDMN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000094837435 265262275 /nfs/dbraw/zinc/26/22/75/265262275.db2.gz XVLCFPVTLXBHKM-GFCCVEGCSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1ccncc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356686569 266159377 /nfs/dbraw/zinc/15/93/77/266159377.db2.gz 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ZINC000050015537 522884951 /nfs/dbraw/zinc/88/49/51/522884951.db2.gz IUJUWQUYCLHYFT-OAHLLOKOSA-N 0 1 270.332 3.836 20 5 CHBDMN CC[C@@H](N[C@@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037010520 522914411 /nfs/dbraw/zinc/91/44/11/522914411.db2.gz SZQFSBDJBGAIMO-BLLLJJGKSA-N 0 1 285.347 3.792 20 5 CHBDMN CCc1ccc(CNCc2ccccc2[N+](=O)[O-])s1 ZINC000050015818 523941996 /nfs/dbraw/zinc/94/19/96/523941996.db2.gz MVCYQLGNLOKWOO-UHFFFAOYSA-N 0 1 276.361 3.509 20 5 CHBDMN COc1ccc(CN[C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061363442 524084079 /nfs/dbraw/zinc/08/40/79/524084079.db2.gz YGQGRIGGHCLXGI-JTQLQIEISA-N 0 1 292.360 3.516 20 5 CHBDMN Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000291781073 524570527 /nfs/dbraw/zinc/57/05/27/524570527.db2.gz UWFRAZMPHLKEPA-UHFFFAOYSA-N 0 1 290.388 3.990 20 5 CHBDMN Cc1ccc(CN[C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000061361471 524593786 /nfs/dbraw/zinc/59/37/86/524593786.db2.gz XNORCMSLDNHDCB-NSHDSACASA-N 0 1 276.361 3.816 20 5 CHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(F)(F)[C@H](C)C1 ZINC000289647968 526107661 /nfs/dbraw/zinc/10/76/61/526107661.db2.gz DPNWYLLAMMMXHU-MNOVXSKESA-N 0 1 284.306 3.633 20 5 CHBDMN Cc1sccc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000293397478 526919053 /nfs/dbraw/zinc/91/90/53/526919053.db2.gz XQNXEHKVYQQSEA-SNVBAGLBSA-N 0 1 276.361 3.816 20 5 CHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000280979017 527401087 /nfs/dbraw/zinc/40/10/87/527401087.db2.gz WAYCCSRVLIYBST-QGZVFWFLSA-N 0 1 297.358 3.621 20 5 CHBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000052926140 1123061710 /nfs/dbraw/zinc/06/17/10/1123061710.db2.gz BQPBGPQSCDJABN-JTQLQIEISA-N 0 1 262.334 3.507 20 5 CHBDMN CC(C)[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000135191160 1125581071 /nfs/dbraw/zinc/58/10/71/1125581071.db2.gz RMAFREHOFWTVKO-LBPRGKRZSA-N 0 1 282.771 3.726 20 5 CHBDMN O=[N+]([O-])c1ncccc1CN[C@H](c1ccccc1)C1CCC1 ZINC000886062432 1125643313 /nfs/dbraw/zinc/64/33/13/1125643313.db2.gz 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C[C@@H](NCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775523 1129268521 /nfs/dbraw/zinc/26/85/21/1129268521.db2.gz FDSYAVUDGYMTSE-SNVBAGLBSA-N 0 1 292.285 3.724 20 5 CHBDMN CNc1ccc(C)cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000902573971 1130027341 /nfs/dbraw/zinc/02/73/41/1130027341.db2.gz DKCPPOLIBDUGCL-ZDUSSCGKSA-N 0 1 299.374 3.796 20 5 CHBDMN C[C@H](CN[C@@H](C)c1cscn1)c1ccccc1[N+](=O)[O-] ZINC000903246863 1130135823 /nfs/dbraw/zinc/13/58/23/1130135823.db2.gz XWXCYUWSYNWMAO-MNOVXSKESA-N 0 1 291.376 3.506 20 5 CHBDMN Cc1cncc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903287853 1130146605 /nfs/dbraw/zinc/14/66/05/1130146605.db2.gz RHGMTFDYKGCOHI-CHWSQXEVSA-N 0 1 285.347 3.710 20 5 CHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCC2(CCCC2)C1 ZINC000782638798 1130785453 /nfs/dbraw/zinc/78/54/53/1130785453.db2.gz RZMYAHBMZYSZBL-UHFFFAOYSA-N 0 1 292.354 3.890 20 5 CHBDMN CN(Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036964888 1131982909 /nfs/dbraw/zinc/98/29/09/1131982909.db2.gz 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CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000466934918 1120661723 /nfs/dbraw/zinc/66/17/23/1120661723.db2.gz GRNQDRVIWPZKIE-MFKMUULPSA-N 0 1 282.771 3.869 20 5 CHBDMN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccccn1)C(C)C ZINC000543629090 1121535673 /nfs/dbraw/zinc/53/56/73/1121535673.db2.gz GIUWZIPLZFPDPV-UHFFFAOYSA-N 0 1 299.374 3.709 20 5 CHBDMN CCCCn1ncc(Nc2sccc2[N+](=O)[O-])c1C ZINC000611413517 1121646193 /nfs/dbraw/zinc/64/61/93/1121646193.db2.gz AACWWHCVIMCQPS-UHFFFAOYSA-N 0 1 280.353 3.705 20 5 CHBDMN Cc1sccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293483848 1121715988 /nfs/dbraw/zinc/71/59/88/1121715988.db2.gz GARPFBTYUWWCEK-JTQLQIEISA-N 0 1 276.361 3.816 20 5 CHBDMN CC(C)=CCC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491550 1121790094 /nfs/dbraw/zinc/79/00/94/1121790094.db2.gz QDIKGMBXGCPTDC-LLVKDONJSA-N 0 1 265.309 3.814 20 5 CHBDMN CC(C)(C)c1ccncc1CNCc1cccc([N+](=O)[O-])c1 ZINC000414503504 1122077471 /nfs/dbraw/zinc/07/74/71/1122077471.db2.gz WPBYIGFAWGFFMY-UHFFFAOYSA-N 0 1 299.374 3.577 20 5 CHBDMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502727756 1122144720 /nfs/dbraw/zinc/14/47/20/1122144720.db2.gz JYSANHBJQKGRGH-SNVBAGLBSA-N 0 1 270.760 3.869 20 5 CHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000035010018 1122147892 /nfs/dbraw/zinc/14/78/92/1122147892.db2.gz OSOQHDGNKKIMBE-SNVBAGLBSA-N 0 1 292.285 3.724 20 5 CHBDMN Cc1cc(N2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302143377 1122356214 /nfs/dbraw/zinc/35/62/14/1122356214.db2.gz GARLTZQOOUVSQV-UHFFFAOYSA-N 0 1 285.347 3.688 20 5 CHBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCCCCC1 ZINC000505563540 1122420788 /nfs/dbraw/zinc/42/07/88/1122420788.db2.gz HGOHVKLIAGCLDW-UHFFFAOYSA-N 0 1 280.343 3.889 20 5 CHBDMN C[C@@H]1CCC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505617442 1122438426 /nfs/dbraw/zinc/43/84/26/1122438426.db2.gz YWQYBDOJSVCPDH-VXGBXAGGSA-N 0 1 280.343 3.744 20 5 CHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1ccc[nH]1 ZINC000435772600 1122488119 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C[C@H](N[C@@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903341525 1130163100 /nfs/dbraw/zinc/16/31/00/1130163100.db2.gz ZFFDDZIKSDPZTA-YVEFUNNKSA-N 0 1 297.358 3.792 20 5 CHBDMN C[C@@H](N[C@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903341522 1130163298 /nfs/dbraw/zinc/16/32/98/1130163298.db2.gz ZFFDDZIKSDPZTA-PXAZEXFGSA-N 0 1 297.358 3.792 20 5 CHBDMN Cc1nc2ccc(O[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC001228328630 1131858393 /nfs/dbraw/zinc/85/83/93/1131858393.db2.gz HODRETZLUJMTPK-JTQLQIEISA-N 0 1 297.314 3.920 20 5 CHBDMN CC[C@@H](N[C@@H](C)c1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000716059468 1132003640 /nfs/dbraw/zinc/00/36/40/1132003640.db2.gz ZMNKIZSZWCSJSB-GXFFZTMASA-N 0 1 291.376 3.853 20 5 CHBDMN Cc1cc2[nH]ncc2cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001230224870 1132162411 /nfs/dbraw/zinc/16/24/11/1132162411.db2.gz BDXVGUCWXDWGNR-LLVKDONJSA-N 0 1 297.314 3.920 20 5 CHBDMN C[C@H]1CC(Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001230595066 1132198423 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CCC[C@H](C)c1cc(Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC001210392614 1134208217 /nfs/dbraw/zinc/20/82/17/1134208217.db2.gz IJPWIWOCNYQWGX-VIFPVBQESA-N 0 1 291.307 3.936 20 5 CHBDMN O=[N+]([O-])c1cc(Nc2ccc3ccncc3c2)ccc1O ZINC001210401689 1134208658 /nfs/dbraw/zinc/20/86/58/1134208658.db2.gz XBIQPBJGNNXHSR-UHFFFAOYSA-N 0 1 281.271 3.592 20 5 CHBDMN C[C@H](N[C@H]1CCCc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000316885947 1135170686 /nfs/dbraw/zinc/17/06/86/1135170686.db2.gz VYNDSWCDHTZGTR-LRDDRELGSA-N 0 1 297.358 3.718 20 5 CHBDMN CCCC(CCC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489857 1135574772 /nfs/dbraw/zinc/57/47/72/1135574772.db2.gz CFVVAMKKOXPVFY-UHFFFAOYSA-N 0 1 253.298 3.648 20 5 CHBDMN CC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225488525 1135575060 /nfs/dbraw/zinc/57/50/60/1135575060.db2.gz HNGKHWSRFVFCFI-CQSZACIVSA-N 0 1 273.288 3.831 20 5 CHBDMN CCC[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC001225491138 1135576505 /nfs/dbraw/zinc/57/65/05/1135576505.db2.gz MXZYSWUAJMTQOE-GFCCVEGCSA-N 0 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C[C@@H](NCc1csc([N+](=O)[O-])c1)c1cccs1 ZINC000037562641 260161695 /nfs/dbraw/zinc/16/16/95/260161695.db2.gz JQMIDYONXHVECM-MRVPVSSYSA-N 0 1 268.363 3.569 20 5 CHBDMN Cc1c([C@H](C)N[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000152367370 261063570 /nfs/dbraw/zinc/06/35/70/261063570.db2.gz ISVZQQVBVYSFPF-STQMWFEESA-N 0 1 285.347 3.710 20 5 CHBDMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000155811111 263016443 /nfs/dbraw/zinc/01/64/43/263016443.db2.gz WONKOLAWUZWOQD-QWRGUYRKSA-N 0 1 289.310 3.541 20 5 CHBDMN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)CC12CCC2 ZINC000357019727 266233839 /nfs/dbraw/zinc/23/38/39/266233839.db2.gz CSRAAEKVVPFBLV-LLVKDONJSA-N 0 1 280.393 3.668 20 5 CHBDMN C[C@@H](NC/C=C\c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000557462427 327006740 /nfs/dbraw/zinc/00/67/40/327006740.db2.gz AFUYPZCFELLJNN-JKEYDSJLSA-N 0 1 282.343 3.959 20 5 CHBDMN O=[N+]([O-])c1ccc(O)cc1CSCc1ccccc1 ZINC000436473597 330678142 /nfs/dbraw/zinc/67/81/42/330678142.db2.gz HSSNLTLJLBIRQJ-UHFFFAOYSA-N 0 1 275.329 3.734 20 5 CHBDMN CC(C)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000441431893 330768348 /nfs/dbraw/zinc/76/83/48/330768348.db2.gz CQZDSZFXDLOCFI-UHFFFAOYSA-N 0 1 280.343 3.602 20 5 CHBDMN COc1cc(CN2CCCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464676494 331364613 /nfs/dbraw/zinc/36/46/13/331364613.db2.gz HQTTYMWQFSYHGG-NSHDSACASA-N 0 1 296.342 3.507 20 5 CHBDMN Cc1ccc(F)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000227284193 333279521 /nfs/dbraw/zinc/27/95/21/333279521.db2.gz KDNAFKYULJEHPN-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000385653638 336153507 /nfs/dbraw/zinc/15/35/07/336153507.db2.gz CYYAUZAJCVKPEG-INIZCTEOSA-N 0 1 288.322 3.975 20 5 CHBDMN C[C@@H]1CCC[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000353878476 533733471 /nfs/dbraw/zinc/73/34/71/533733471.db2.gz DEXKCVKVDVTXOY-GHMZBOCLSA-N 0 1 268.382 3.667 20 5 CHBDMN CCCN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127520480 521502239 /nfs/dbraw/zinc/50/22/39/521502239.db2.gz VWBNCUFVZAWVHL-UHFFFAOYSA-N 0 1 291.376 3.560 20 5 CHBDMN CC[C@H](NCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000063152252 522658425 /nfs/dbraw/zinc/65/84/25/522658425.db2.gz XGBHPVYIXNAOCS-AWEZNQCLSA-N 0 1 276.361 3.897 20 5 CHBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000070160260 524595244 /nfs/dbraw/zinc/59/52/44/524595244.db2.gz HPQJDSZWESAIMP-LBPRGKRZSA-N 0 1 288.322 3.893 20 5 CHBDMN Cc1ccc([C@@H](C)NCc2ccsc2)cc1[N+](=O)[O-] ZINC000063152313 525737475 /nfs/dbraw/zinc/73/74/75/525737475.db2.gz HCAKBUZIOWPVJY-LLVKDONJSA-N 0 1 276.361 3.816 20 5 CHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(F)(F)[C@@H](C)C1 ZINC000289647976 526118321 /nfs/dbraw/zinc/11/83/21/526118321.db2.gz DPNWYLLAMMMXHU-WDEREUQCSA-N 0 1 284.306 3.633 20 5 CHBDMN Cc1nc(C)c([C@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000042273863 526755155 /nfs/dbraw/zinc/75/51/55/526755155.db2.gz LLTIBAKWZMSMCX-VIFPVBQESA-N 0 1 291.376 3.519 20 5 CHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccccn1 ZINC000347382319 527500288 /nfs/dbraw/zinc/50/02/88/527500288.db2.gz UYVHGUYXPAFLBP-UVTDQMKNSA-N 0 1 297.358 3.525 20 5 CHBDMN