smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095990949 185058398 /nfs/dbraw/zinc/05/83/98/185058398.db2.gz NXZSNBMSKLCXBN-UHFFFAOYSA-N 1 1 284.275 2.803 50 5 CFBAMO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023995000 372269134 /nfs/dbraw/zinc/26/91/34/372269134.db2.gz ZBUGFDDNHXCOSL-AWEZNQCLSA-N 1 1 298.346 2.676 50 5 CFBAMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047272571 373083962 /nfs/dbraw/zinc/08/39/62/373083962.db2.gz SWZPYBXLLPOYGJ-CHWSQXEVSA-N 1 1 279.315 2.773 50 5 CFBAMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000076063297 374526379 /nfs/dbraw/zinc/52/63/79/374526379.db2.gz URHKZLQZWMBSMJ-UHFFFAOYSA-N 1 1 260.297 2.602 50 5 CFBAMO COc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089935654 374970182 /nfs/dbraw/zinc/97/01/82/374970182.db2.gz AKCJSRAIHSEAOV-LLVKDONJSA-N 1 1 282.365 2.541 50 5 CFBAMO C[N@@H+]1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000118477789 376300909 /nfs/dbraw/zinc/30/09/09/376300909.db2.gz SNMWLNIETAOOER-UHFFFAOYSA-N 1 1 257.293 2.795 50 5 CFBAMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000192171774 382705318 /nfs/dbraw/zinc/70/53/18/382705318.db2.gz SWMVBNBCURNYDD-LLVKDONJSA-N 1 1 266.366 2.922 50 5 CFBAMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000241588375 382983537 /nfs/dbraw/zinc/98/35/37/382983537.db2.gz PCPDJAZHEMPPQE-AWEZNQCLSA-N 1 1 290.294 2.557 50 5 CFBAMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000002822924 169834559 /nfs/dbraw/zinc/83/45/59/169834559.db2.gz DBPXJEGKIPHWAW-BETUJISGSA-N 1 1 278.352 2.952 50 5 CFBAMO Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000106669754 186131332 /nfs/dbraw/zinc/13/13/32/186131332.db2.gz YSPLHAMHAWNCDT-SWLSCSKDSA-N 1 1 278.352 2.639 50 5 CFBAMO CCCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000097233418 323618457 /nfs/dbraw/zinc/61/84/57/323618457.db2.gz VLQOEEDOKVFHDW-UHFFFAOYSA-N 1 1 275.308 2.801 50 5 CFBAMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055543950 373558096 /nfs/dbraw/zinc/55/80/96/373558096.db2.gz HUCRAJMTPDPXSU-UHFFFAOYSA-N 1 1 297.358 2.917 50 5 CFBAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058159525 373629199 /nfs/dbraw/zinc/62/91/99/373629199.db2.gz ZGJUJSDNMCJKSW-LBPRGKRZSA-N 1 1 297.786 2.822 50 5 CFBAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058159525 373629205 /nfs/dbraw/zinc/62/92/05/373629205.db2.gz ZGJUJSDNMCJKSW-LBPRGKRZSA-N 1 1 297.786 2.822 50 5 CFBAMO COC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000079091186 374594890 /nfs/dbraw/zinc/59/48/90/374594890.db2.gz LQXJCQZOPLZOAG-CYBMUJFWSA-N 1 1 278.352 2.762 50 5 CFBAMO C[N@H+]1CCC[C@H]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000096485307 530063100 /nfs/dbraw/zinc/06/31/00/530063100.db2.gz JIALJIPDLJVCCP-JTQLQIEISA-N 1 1 267.354 2.566 50 5 CFBAMO C[N@@H+]1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000013731830 372045790 /nfs/dbraw/zinc/04/57/90/372045790.db2.gz MWJUXAHARLFJAN-UHFFFAOYSA-N 1 1 257.293 2.795 50 5 CFBAMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCCCC3)n2)c1 ZINC000032825142 372466878 /nfs/dbraw/zinc/46/68/78/372466878.db2.gz RGPLIOIKYKWBKD-UHFFFAOYSA-N 1 1 288.307 2.631 50 5 CFBAMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000048409064 373177139 /nfs/dbraw/zinc/17/71/39/373177139.db2.gz ZIMQTNZXZXXTKK-UHFFFAOYSA-N 1 1 282.303 2.761 50 5 CFBAMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000192171778 382705332 /nfs/dbraw/zinc/70/53/32/382705332.db2.gz SWMVBNBCURNYDD-NSHDSACASA-N 1 1 266.366 2.922 50 5 CFBAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccccc2[N+](=O)[O-])C1 ZINC000095971009 290182334 /nfs/dbraw/zinc/18/23/34/290182334.db2.gz DFQPLMOVZIDSDM-CHWSQXEVSA-N 1 1 275.352 2.515 50 5 CFBAMO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055543905 373558082 /nfs/dbraw/zinc/55/80/82/373558082.db2.gz GXNRFWBUWHQMKZ-UHFFFAOYSA-N 1 1 297.358 2.917 50 5 CFBAMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCSC1 ZINC000089936608 374970997 /nfs/dbraw/zinc/97/09/97/374970997.db2.gz BIFVTCRFKDPUBD-LLVKDONJSA-N 1 1 270.329 2.671 50 5 CFBAMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCSC1 ZINC000089936608 374971004 /nfs/dbraw/zinc/97/10/04/374971004.db2.gz BIFVTCRFKDPUBD-LLVKDONJSA-N 1 1 270.329 2.671 50 5 CFBAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000095407807 375434980 /nfs/dbraw/zinc/43/49/80/375434980.db2.gz MJZGQUBWRHPDCV-ZDUSSCGKSA-N 1 1 286.335 2.769 50 5 CFBAMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000108368334 397598046 /nfs/dbraw/zinc/59/80/46/397598046.db2.gz ZMNMDCIIXRQLAK-UWVGGRQHSA-N 1 1 283.759 2.777 50 5 CFBAMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000108368334 397598049 /nfs/dbraw/zinc/59/80/49/397598049.db2.gz ZMNMDCIIXRQLAK-UWVGGRQHSA-N 1 1 283.759 2.777 50 5 CFBAMO C[N@H+]1CCC[C@@H]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000096485306 530056936 /nfs/dbraw/zinc/05/69/36/530056936.db2.gz JIALJIPDLJVCCP-SNVBAGLBSA-N 1 1 267.354 2.566 50 5 CFBAMO CC(C)c1[nH+]ccn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000182796646 189335249 /nfs/dbraw/zinc/33/52/49/189335249.db2.gz HMIHLKHMVZXYIJ-UHFFFAOYSA-N 1 1 275.308 2.994 50 5 CFBAMO Cn1c[nH+]cc1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000097108387 375521179 /nfs/dbraw/zinc/52/11/79/375521179.db2.gz GNFMAHKYKFOBCQ-UHFFFAOYSA-N 1 1 297.318 2.531 50 5 CFBAMO CC(C)[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000170681461 379137301 /nfs/dbraw/zinc/13/73/01/379137301.db2.gz LLBLDHQURGWNQY-SNVBAGLBSA-N 1 1 284.747 2.538 50 5 CFBAMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1 ZINC000040086156 174187337 /nfs/dbraw/zinc/18/73/37/174187337.db2.gz IVGNISLWMQHHFW-MRXNPFEDSA-N 1 1 286.331 2.760 50 5 CFBAMO Cc1cc(N(C)Cc2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000032825122 372465805 /nfs/dbraw/zinc/46/58/05/372465805.db2.gz ZFFSXCOIPWXLRT-UHFFFAOYSA-N 1 1 272.308 2.638 50 5 CFBAMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCSC1 ZINC000089935804 374970860 /nfs/dbraw/zinc/97/08/60/374970860.db2.gz FDVGNKNHCFTEHP-JTQLQIEISA-N 1 1 293.348 2.673 50 5 CFBAMO CC(C)c1[nH+]ccn1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000095988607 375467253 /nfs/dbraw/zinc/46/72/53/375467253.db2.gz JETZFJVPKXRFQT-CYBMUJFWSA-N 1 1 275.308 2.648 50 5 CFBAMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000245338727 382997600 /nfs/dbraw/zinc/99/76/00/382997600.db2.gz OBBOTOKGIOHAGX-RRFJBIMHSA-N 1 1 290.363 2.840 50 5 CFBAMO C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000004914177 170040662 /nfs/dbraw/zinc/04/06/62/170040662.db2.gz JDKFPRBSGOJVIC-LBPRGKRZSA-N 1 1 264.325 2.706 50 5 CFBAMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCSCC1 ZINC000004988920 170050170 /nfs/dbraw/zinc/05/01/70/170050170.db2.gz ZENCZLBDXHWVRN-HWKANZROSA-N 1 1 264.350 2.657 50 5 CFBAMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000058158617 373629718 /nfs/dbraw/zinc/62/97/18/373629718.db2.gz AOKJDPQPIYRQTJ-LBPRGKRZSA-N 1 1 293.367 2.962 50 5 CFBAMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1C ZINC000080654632 374667259 /nfs/dbraw/zinc/66/72/59/374667259.db2.gz XPRHZEHREGMZGC-UHFFFAOYSA-N 1 1 274.324 2.910 50 5 CFBAMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000097108383 375521329 /nfs/dbraw/zinc/52/13/29/375521329.db2.gz BNXMJYYJDQCPKZ-UHFFFAOYSA-N 1 1 297.318 2.531 50 5 CFBAMO C[NH+](C)CC(=O)Cc1ccc2[nH]c(=O)c3ccccc3c2c1 ZINC000575319540 382758204 /nfs/dbraw/zinc/75/82/04/382758204.db2.gz DYIPGTVTJJCIIE-UHFFFAOYSA-N 1 1 294.354 2.767 50 5 CFBAMO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000096419590 393827163 /nfs/dbraw/zinc/82/71/63/393827163.db2.gz UJDRGROOQBXCQF-UHFFFAOYSA-N 1 1 278.352 2.984 50 5 CFBAMO CN1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000004987586 170049656 /nfs/dbraw/zinc/04/96/56/170049656.db2.gz FQQMTEWDFMVQHB-FNORWQNLSA-N 1 1 289.379 2.634 50 5 CFBAMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000004987586 170049657 /nfs/dbraw/zinc/04/96/57/170049657.db2.gz FQQMTEWDFMVQHB-FNORWQNLSA-N 1 1 289.379 2.634 50 5 CFBAMO Cc1[nH+]ccn1CCCNc1ccccc1[N+](=O)[O-] ZINC000078333231 177333707 /nfs/dbraw/zinc/33/37/07/177333707.db2.gz SDOYRXADBDBXRB-UHFFFAOYSA-N 1 1 260.297 2.602 50 5 CFBAMO CC(=O)c1cc2c(N(C)C)[nH+]c3ccccc3c2oc1=O ZINC000033895468 346312500 /nfs/dbraw/zinc/31/25/00/346312500.db2.gz NZUZEAQHYAGDEZ-UHFFFAOYSA-N 1 1 282.299 2.610 50 5 CFBAMO C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015261460 372081960 /nfs/dbraw/zinc/08/19/60/372081960.db2.gz QSBIRCWSSNQVFO-NSHDSACASA-N 1 1 292.335 2.836 50 5 CFBAMO COC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000079090920 374592964 /nfs/dbraw/zinc/59/29/64/374592964.db2.gz KXGXIFQRFDGBEA-JTQLQIEISA-N 1 1 270.354 2.515 50 5 CFBAMO COC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000079090920 374592970 /nfs/dbraw/zinc/59/29/70/374592970.db2.gz KXGXIFQRFDGBEA-JTQLQIEISA-N 1 1 270.354 2.515 50 5 CFBAMO CC(C)c1[nH+]ccn1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000095988606 375466758 /nfs/dbraw/zinc/46/67/58/375466758.db2.gz JETZFJVPKXRFQT-ZDUSSCGKSA-N 1 1 275.308 2.648 50 5 CFBAMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000241776780 382984920 /nfs/dbraw/zinc/98/49/20/382984920.db2.gz RSMPKXZVRIEGNV-UHFFFAOYSA-N 1 1 271.320 2.664 50 5 CFBAMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280355396 384987473 /nfs/dbraw/zinc/98/74/73/384987473.db2.gz TYLLFCKYNNLPSQ-OAHLLOKOSA-N 1 1 278.352 2.986 50 5 CFBAMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000006851676 170248974 /nfs/dbraw/zinc/24/89/74/170248974.db2.gz DLHBLNISXQRZAG-UHFFFAOYSA-N 1 1 291.351 2.798 50 5 CFBAMO C[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000023990706 372268876 /nfs/dbraw/zinc/26/88/76/372268876.db2.gz LRQLTLRCDVAPPD-LLVKDONJSA-N 1 1 274.324 2.634 50 5 CFBAMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000059015845 373676604 /nfs/dbraw/zinc/67/66/04/373676604.db2.gz VPCMRLOIFRDSFP-UHFFFAOYSA-N 1 1 286.331 2.589 50 5 CFBAMO Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000069563709 374074040 /nfs/dbraw/zinc/07/40/40/374074040.db2.gz YSPLHAMHAWNCDT-DOMZBBRYSA-N 1 1 278.352 2.639 50 5 CFBAMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000070011480 374114521 /nfs/dbraw/zinc/11/45/21/374114521.db2.gz KSXSTICCWQLWSQ-UHFFFAOYSA-N 1 1 252.289 2.966 50 5 CFBAMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC(CO)CC1 ZINC000089924248 374968701 /nfs/dbraw/zinc/96/87/01/374968701.db2.gz IWENMFCEDAESBX-UHFFFAOYSA-N 1 1 296.342 2.717 50 5 CFBAMO CC(C)C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000032777919 393514638 /nfs/dbraw/zinc/51/46/38/393514638.db2.gz VYHCJRQRTNXEEH-UHFFFAOYSA-N 1 1 291.351 2.654 50 5 CFBAMO C[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000021319408 171302715 /nfs/dbraw/zinc/30/27/15/171302715.db2.gz BJDLAPBXGMHQKD-LLVKDONJSA-N 1 1 274.324 2.634 50 5 CFBAMO CCC[N@@H+](Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC1CC1 ZINC000000277574 371577067 /nfs/dbraw/zinc/57/70/67/371577067.db2.gz OGVAVHHVZOBZBS-UHFFFAOYSA-N 1 1 294.351 2.931 50 5 CFBAMO CCC[N@H+](Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC1CC1 ZINC000000277574 371577073 /nfs/dbraw/zinc/57/70/73/371577073.db2.gz OGVAVHHVZOBZBS-UHFFFAOYSA-N 1 1 294.351 2.931 50 5 CFBAMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000058158616 373627135 /nfs/dbraw/zinc/62/71/35/373627135.db2.gz AOKJDPQPIYRQTJ-GFCCVEGCSA-N 1 1 293.367 2.962 50 5 CFBAMO O=[N+]([O-])c1cccc(F)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000084339116 374774469 /nfs/dbraw/zinc/77/44/69/374774469.db2.gz HMXQHRPTNPCQJK-NSHDSACASA-N 1 1 294.326 2.735 50 5 CFBAMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000084339116 374774477 /nfs/dbraw/zinc/77/44/77/374774477.db2.gz HMXQHRPTNPCQJK-NSHDSACASA-N 1 1 294.326 2.735 50 5 CFBAMO CCOC(=O)CCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057626679 175600601 /nfs/dbraw/zinc/60/06/01/175600601.db2.gz UOWWPXFQQFYTDW-LBPRGKRZSA-N 1 1 294.351 2.931 50 5 CFBAMO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000077323034 177252739 /nfs/dbraw/zinc/25/27/39/177252739.db2.gz REIDGOMSKVVDHZ-UHFFFAOYSA-N 1 1 278.352 2.984 50 5 CFBAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccccc2[N+](=O)[O-])C1 ZINC000222119877 290241043 /nfs/dbraw/zinc/24/10/43/290241043.db2.gz DFQPLMOVZIDSDM-STQMWFEESA-N 1 1 275.352 2.515 50 5 CFBAMO CC(C)[C@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000095949342 185039136 /nfs/dbraw/zinc/03/91/36/185039136.db2.gz WUBQZMBHAVWBCU-LBPRGKRZSA-N 1 1 266.341 2.950 50 5 CFBAMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCCCC2)cs1 ZINC000089764678 374947864 /nfs/dbraw/zinc/94/78/64/374947864.db2.gz MRTHQQUHMUTUFK-UHFFFAOYSA-N 1 1 284.381 2.783 50 5 CFBAMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)C1CCCC1 ZINC000095453820 375454862 /nfs/dbraw/zinc/45/48/62/375454862.db2.gz CYJGBXJQDOBCQW-FNORWQNLSA-N 1 1 290.363 2.845 50 5 CFBAMO Cc1ccc(C[N@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000097058714 375506322 /nfs/dbraw/zinc/50/63/22/375506322.db2.gz IWNIZFYPAYOGCB-UHFFFAOYSA-N 1 1 266.366 2.842 50 5 CFBAMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000241588376 382983919 /nfs/dbraw/zinc/98/39/19/382983919.db2.gz PCPDJAZHEMPPQE-CQSZACIVSA-N 1 1 290.294 2.557 50 5 CFBAMO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000006932648 170256675 /nfs/dbraw/zinc/25/66/75/170256675.db2.gz BARPXEWBPPCJFJ-UHFFFAOYSA-N 1 1 291.351 2.574 50 5 CFBAMO Cc1nn(CCCc2c[nH+]cn2C)c2ccc([N+](=O)[O-])cc12 ZINC000585137063 348736698 /nfs/dbraw/zinc/73/66/98/348736698.db2.gz GECYAQRJPRXDMB-UHFFFAOYSA-N 1 1 299.334 2.619 50 5 CFBAMO C[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000019606813 372176325 /nfs/dbraw/zinc/17/63/25/372176325.db2.gz DGFGFXJTTDBPGC-UHFFFAOYSA-N 1 1 271.320 2.664 50 5 CFBAMO C[N@@H+](CCc1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000019888944 372203378 /nfs/dbraw/zinc/20/33/78/372203378.db2.gz PCEOEAHRHOFKFJ-UHFFFAOYSA-N 1 1 271.320 2.664 50 5 CFBAMO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023994998 372268941 /nfs/dbraw/zinc/26/89/41/372268941.db2.gz ZBUGFDDNHXCOSL-CQSZACIVSA-N 1 1 298.346 2.676 50 5 CFBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000055543399 373555989 /nfs/dbraw/zinc/55/59/89/373555989.db2.gz LMKIEJGGXYBHQZ-UHFFFAOYSA-N 1 1 287.319 2.510 50 5 CFBAMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000195529118 382768661 /nfs/dbraw/zinc/76/86/61/382768661.db2.gz SWZPYBXLLPOYGJ-OLZOCXBDSA-N 1 1 279.315 2.773 50 5 CFBAMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245338726 382997940 /nfs/dbraw/zinc/99/79/40/382997940.db2.gz OBBOTOKGIOHAGX-RBSFLKMASA-N 1 1 290.363 2.840 50 5 CFBAMO C[N@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000253416195 383457594 /nfs/dbraw/zinc/45/75/94/383457594.db2.gz UPHTXTUKGGXASK-GFCCVEGCSA-N 1 1 278.356 2.543 50 5 CFBAMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058196864 373631432 /nfs/dbraw/zinc/63/14/32/373631432.db2.gz ZXZZDVVNWIKRJO-NSHDSACASA-N 1 1 281.331 2.876 50 5 CFBAMO Cc1c(C[N@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089981594 374980619 /nfs/dbraw/zinc/98/06/19/374980619.db2.gz LTBMGKYKVCMMFG-UHFFFAOYSA-N 1 1 266.366 2.842 50 5 CFBAMO COc1cc(C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000004988987 170050204 /nfs/dbraw/zinc/05/02/04/170050204.db2.gz FBJIRPRAEQBAMI-UHFFFAOYSA-N 1 1 280.324 2.598 50 5 CFBAMO COC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037266262 173075933 /nfs/dbraw/zinc/07/59/33/173075933.db2.gz XMWVECFQYPEULQ-UHFFFAOYSA-N 1 1 284.743 2.859 50 5 CFBAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012768268 371985857 /nfs/dbraw/zinc/98/58/57/371985857.db2.gz DANQQDJADJUVFA-SNVBAGLBSA-N 1 1 295.314 2.547 50 5 CFBAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012768268 371985859 /nfs/dbraw/zinc/98/58/59/371985859.db2.gz DANQQDJADJUVFA-SNVBAGLBSA-N 1 1 295.314 2.547 50 5 CFBAMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCSC1 ZINC000089936609 374970607 /nfs/dbraw/zinc/97/06/07/374970607.db2.gz BIFVTCRFKDPUBD-NSHDSACASA-N 1 1 270.329 2.671 50 5 CFBAMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCSC1 ZINC000089936609 374970611 /nfs/dbraw/zinc/97/06/11/374970611.db2.gz BIFVTCRFKDPUBD-NSHDSACASA-N 1 1 270.329 2.671 50 5 CFBAMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000020474786 171219046 /nfs/dbraw/zinc/21/90/46/171219046.db2.gz HEMABAGTEOBYQQ-NSHDSACASA-N 1 1 267.304 2.630 50 5 CFBAMO Cc1cc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000887268161 647254877 /nfs/dbraw/zinc/25/48/77/647254877.db2.gz DJQRBDMSHJCSRP-GXTWGEPZSA-N 1 1 275.352 2.576 50 5 CFBAMO CC(C)[C@@H](C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000095949341 185039237 /nfs/dbraw/zinc/03/92/37/185039237.db2.gz WUBQZMBHAVWBCU-GFCCVEGCSA-N 1 1 266.341 2.950 50 5 CFBAMO CC(C)[N@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000095986635 185055946 /nfs/dbraw/zinc/05/59/46/185055946.db2.gz NNAHMPSCDQCQRN-JTQLQIEISA-N 1 1 269.370 2.799 50 5 CFBAMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCSC1 ZINC000089935803 179885599 /nfs/dbraw/zinc/88/55/99/179885599.db2.gz FDVGNKNHCFTEHP-SNVBAGLBSA-N 1 1 293.348 2.673 50 5 CFBAMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)C2 ZINC000092634672 375132708 /nfs/dbraw/zinc/13/27/08/375132708.db2.gz CLEWOSXYTKALPQ-CYBMUJFWSA-N 1 1 286.335 2.835 50 5 CFBAMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280355393 384989156 /nfs/dbraw/zinc/98/91/56/384989156.db2.gz TYLLFCKYNNLPSQ-HNNXBMFYSA-N 1 1 278.352 2.986 50 5 CFBAMO C[N@@H+](CCc1ccncc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000181460381 189297449 /nfs/dbraw/zinc/29/74/49/189297449.db2.gz HCGORAZUAGVYLY-UHFFFAOYSA-N 1 1 289.310 2.803 50 5 CFBAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012768271 371985842 /nfs/dbraw/zinc/98/58/42/371985842.db2.gz DANQQDJADJUVFA-JTQLQIEISA-N 1 1 295.314 2.547 50 5 CFBAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012768271 371985845 /nfs/dbraw/zinc/98/58/45/371985845.db2.gz DANQQDJADJUVFA-JTQLQIEISA-N 1 1 295.314 2.547 50 5 CFBAMO C[N@@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000095999366 375467101 /nfs/dbraw/zinc/46/71/01/375467101.db2.gz PAACGLRTBFDQPU-UHFFFAOYSA-N 1 1 289.310 2.803 50 5 CFBAMO O=[N+]([O-])c1ccc(C2=[NH+]CCc3ccccc32)cc1 ZINC000039239670 285109813 /nfs/dbraw/zinc/10/98/13/285109813.db2.gz SULTWMKFPLVGLR-UHFFFAOYSA-N 1 1 252.273 2.988 50 5 CFBAMO Cc1c(NC(=O)C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000009998288 170394164 /nfs/dbraw/zinc/39/41/64/170394164.db2.gz LGNJLRFYZGEXAV-LLVKDONJSA-N 1 1 291.351 2.716 50 5 CFBAMO Cc1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000009998288 170394166 /nfs/dbraw/zinc/39/41/66/170394166.db2.gz LGNJLRFYZGEXAV-LLVKDONJSA-N 1 1 291.351 2.716 50 5 CFBAMO CCN1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077249291 177239485 /nfs/dbraw/zinc/23/94/85/177239485.db2.gz WIZFFCDYUGAHRN-UHFFFAOYSA-N 1 1 291.395 2.819 50 5 CFBAMO CCN1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000077249291 177239488 /nfs/dbraw/zinc/23/94/88/177239488.db2.gz WIZFFCDYUGAHRN-UHFFFAOYSA-N 1 1 291.395 2.819 50 5 CFBAMO Cc1[nH+]ccn1CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000078333087 177333784 /nfs/dbraw/zinc/33/37/84/177333784.db2.gz QVMSECNEHSYGEK-UHFFFAOYSA-N 1 1 278.287 2.741 50 5 CFBAMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(O)cc1)CC2 ZINC000095997229 185060948 /nfs/dbraw/zinc/06/09/48/185060948.db2.gz SQEMEOQNJLELCG-UHFFFAOYSA-N 1 1 284.315 2.859 50 5 CFBAMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000095997229 185060949 /nfs/dbraw/zinc/06/09/49/185060949.db2.gz SQEMEOQNJLELCG-UHFFFAOYSA-N 1 1 284.315 2.859 50 5 CFBAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccccc2[N+](=O)[O-])C1 ZINC000222119815 283094973 /nfs/dbraw/zinc/09/49/73/283094973.db2.gz DFQPLMOVZIDSDM-QWHCGFSZSA-N 1 1 275.352 2.515 50 5 CFBAMO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000032824998 372465905 /nfs/dbraw/zinc/46/59/05/372465905.db2.gz OIMFZTNPWWHWQR-UHFFFAOYSA-N 1 1 272.308 2.638 50 5 CFBAMO C[C@H](C1CC1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000058379243 373652151 /nfs/dbraw/zinc/65/21/51/373652151.db2.gz CEIJRUNJIJNCAB-SNVBAGLBSA-N 1 1 292.335 2.692 50 5 CFBAMO CSC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000075144089 374461826 /nfs/dbraw/zinc/46/18/26/374461826.db2.gz DSBSNKCHNLBVLW-SNVBAGLBSA-N 1 1 284.356 2.919 50 5 CFBAMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000019832294 372191714 /nfs/dbraw/zinc/19/17/14/372191714.db2.gz SLDBHEPECWDJHV-MRXNPFEDSA-N 1 1 286.331 2.760 50 5 CFBAMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047272572 373083895 /nfs/dbraw/zinc/08/38/95/373083895.db2.gz SWZPYBXLLPOYGJ-QWHCGFSZSA-N 1 1 279.315 2.773 50 5 CFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000004902670 371875441 /nfs/dbraw/zinc/87/54/41/371875441.db2.gz FNGAWZJRTXWCCS-NSHDSACASA-N 1 1 291.351 2.574 50 5 CFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004902670 371875446 /nfs/dbraw/zinc/87/54/46/371875446.db2.gz FNGAWZJRTXWCCS-NSHDSACASA-N 1 1 291.351 2.574 50 5 CFBAMO CN(CC[N@@H+](C)C1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000058441355 373658840 /nfs/dbraw/zinc/65/88/40/373658840.db2.gz YFNKWZHMLMBSOC-UHFFFAOYSA-N 1 1 292.383 2.691 50 5 CFBAMO CCOC(=O)CCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057626681 373604600 /nfs/dbraw/zinc/60/46/00/373604600.db2.gz UOWWPXFQQFYTDW-GFCCVEGCSA-N 1 1 294.351 2.931 50 5 CFBAMO Cc1[nH+]ccn1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000076062782 374526851 /nfs/dbraw/zinc/52/68/51/374526851.db2.gz MRPQCVDTOQRWJK-UHFFFAOYSA-N 1 1 295.730 2.650 50 5 CFBAMO CC(C)([NH2+]Cc1ccc(CO)o1)c1ccc([N+](=O)[O-])cc1 ZINC000080347127 374650614 /nfs/dbraw/zinc/65/06/14/374650614.db2.gz HBMRVFTYCMSIGD-UHFFFAOYSA-N 1 1 290.319 2.705 50 5 CFBAMO Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000082217057 374728260 /nfs/dbraw/zinc/72/82/60/374728260.db2.gz FKRLYXQDCSYBDE-UHFFFAOYSA-N 1 1 251.673 2.801 50 5 CFBAMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)C2 ZINC000092634673 375132789 /nfs/dbraw/zinc/13/27/89/375132789.db2.gz CLEWOSXYTKALPQ-ZDUSSCGKSA-N 1 1 286.335 2.835 50 5 CFBAMO CC(C)[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000170681457 379138170 /nfs/dbraw/zinc/13/81/70/379138170.db2.gz LLBLDHQURGWNQY-JTQLQIEISA-N 1 1 284.747 2.538 50 5 CFBAMO CCO[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071915711 176299257 /nfs/dbraw/zinc/29/92/57/176299257.db2.gz KLVAXBJDJBLCTA-CYBMUJFWSA-N 1 1 264.325 2.596 50 5 CFBAMO O=[N+]([O-])c1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000048409061 373177123 /nfs/dbraw/zinc/17/71/23/373177123.db2.gz ZOYCCRIBCAIUGG-UHFFFAOYSA-N 1 1 282.303 2.761 50 5 CFBAMO COc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089935655 374970899 /nfs/dbraw/zinc/97/08/99/374970899.db2.gz AKCJSRAIHSEAOV-NSHDSACASA-N 1 1 282.365 2.541 50 5 CFBAMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCSCC1 ZINC000089979893 374980600 /nfs/dbraw/zinc/98/06/00/374980600.db2.gz BAFCCBMQNTWEIV-UHFFFAOYSA-N 1 1 270.329 2.673 50 5 CFBAMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCSCC1 ZINC000089979893 374980607 /nfs/dbraw/zinc/98/06/07/374980607.db2.gz BAFCCBMQNTWEIV-UHFFFAOYSA-N 1 1 270.329 2.673 50 5 CFBAMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C)cc1[N+](=O)[O-])C2 ZINC000095436069 375448276 /nfs/dbraw/zinc/44/82/76/375448276.db2.gz RBIBXSJURXUSJN-LBPRGKRZSA-N 1 1 286.335 2.835 50 5 CFBAMO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000368841492 381147535 /nfs/dbraw/zinc/14/75/35/381147535.db2.gz FLWJLSQYZRFGGO-UHFFFAOYSA-N 1 1 276.336 2.597 50 5 CFBAMO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000171826338 230395646 /nfs/dbraw/zinc/39/56/46/230395646.db2.gz DOBUSKBLKAMFSC-UHFFFAOYSA-N 1 1 287.319 2.630 50 5 CFBAMO COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000171826338 230395647 /nfs/dbraw/zinc/39/56/47/230395647.db2.gz DOBUSKBLKAMFSC-UHFFFAOYSA-N 1 1 287.319 2.630 50 5 CFBAMO COc1cc(C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000004987617 170049603 /nfs/dbraw/zinc/04/96/03/170049603.db2.gz UJJALOZEQYDUJM-NSHDSACASA-N 1 1 294.351 2.844 50 5 CFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000004902672 371876511 /nfs/dbraw/zinc/87/65/11/371876511.db2.gz FNGAWZJRTXWCCS-LLVKDONJSA-N 1 1 291.351 2.574 50 5 CFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000004902672 371876516 /nfs/dbraw/zinc/87/65/16/371876516.db2.gz FNGAWZJRTXWCCS-LLVKDONJSA-N 1 1 291.351 2.574 50 5 CFBAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058159524 373629678 /nfs/dbraw/zinc/62/96/78/373629678.db2.gz ZGJUJSDNMCJKSW-GFCCVEGCSA-N 1 1 297.786 2.822 50 5 CFBAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058159524 373629684 /nfs/dbraw/zinc/62/96/84/373629684.db2.gz ZGJUJSDNMCJKSW-GFCCVEGCSA-N 1 1 297.786 2.822 50 5 CFBAMO O=[N+]([O-])c1cccc(F)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000084339117 374774181 /nfs/dbraw/zinc/77/41/81/374774181.db2.gz HMXQHRPTNPCQJK-LLVKDONJSA-N 1 1 294.326 2.735 50 5 CFBAMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000084339117 374774189 /nfs/dbraw/zinc/77/41/89/374774189.db2.gz HMXQHRPTNPCQJK-LLVKDONJSA-N 1 1 294.326 2.735 50 5 CFBAMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000108368330 397598122 /nfs/dbraw/zinc/59/81/22/397598122.db2.gz ZMNMDCIIXRQLAK-VHSXEESVSA-N 1 1 283.759 2.777 50 5 CFBAMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000108368330 397598123 /nfs/dbraw/zinc/59/81/23/397598123.db2.gz ZMNMDCIIXRQLAK-VHSXEESVSA-N 1 1 283.759 2.777 50 5 CFBAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000004987616 170049323 /nfs/dbraw/zinc/04/93/23/170049323.db2.gz UJJALOZEQYDUJM-LLVKDONJSA-N 1 1 294.351 2.844 50 5 CFBAMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000095982742 274364643 /nfs/dbraw/zinc/36/46/43/274364643.db2.gz ZMNMDCIIXRQLAK-NXEZZACHSA-N 1 1 283.759 2.777 50 5 CFBAMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000095982742 274364644 /nfs/dbraw/zinc/36/46/44/274364644.db2.gz ZMNMDCIIXRQLAK-NXEZZACHSA-N 1 1 283.759 2.777 50 5 CFBAMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccccc2[N+](=O)[O-])C1 ZINC000095971010 290244290 /nfs/dbraw/zinc/24/42/90/290244290.db2.gz DFQPLMOVZIDSDM-OLZOCXBDSA-N 1 1 275.352 2.515 50 5 CFBAMO COC(=O)c1cccc([N+](=O)[O-])c1C[NH+]1CCC(C)CC1 ZINC000001395482 371670677 /nfs/dbraw/zinc/67/06/77/371670677.db2.gz CSTKSQAMYUTNLH-UHFFFAOYSA-N 1 1 292.335 2.613 50 5 CFBAMO Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000069563706 374074695 /nfs/dbraw/zinc/07/46/95/374074695.db2.gz YSPLHAMHAWNCDT-IUODEOHRSA-N 1 1 278.352 2.639 50 5 CFBAMO COC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000079091178 374594415 /nfs/dbraw/zinc/59/44/15/374594415.db2.gz LQXJCQZOPLZOAG-ZDUSSCGKSA-N 1 1 278.352 2.762 50 5 CFBAMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000195529119 382768901 /nfs/dbraw/zinc/76/89/01/382768901.db2.gz SWZPYBXLLPOYGJ-STQMWFEESA-N 1 1 279.315 2.773 50 5 CFBAMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000035287362 172104868 /nfs/dbraw/zinc/10/48/68/172104868.db2.gz BVUNFAAOQWGVQX-DLBZAZTESA-N 1 1 282.343 2.931 50 5 CFBAMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1 ZINC000040086155 174187524 /nfs/dbraw/zinc/18/75/24/174187524.db2.gz IVGNISLWMQHHFW-INIZCTEOSA-N 1 1 286.331 2.760 50 5 CFBAMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000078563569 177354661 /nfs/dbraw/zinc/35/46/61/177354661.db2.gz NOGGPYMURKFKBP-CYBMUJFWSA-N 1 1 277.368 2.763 50 5 CFBAMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000078563565 177354870 /nfs/dbraw/zinc/35/48/70/177354870.db2.gz NOGGPYMURKFKBP-ZDUSSCGKSA-N 1 1 277.368 2.763 50 5 CFBAMO CC[C@H]1C[N@@H+](C)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000328596262 281156760 /nfs/dbraw/zinc/15/67/60/281156760.db2.gz ZMMZZTUJRPXBEP-AWEZNQCLSA-N 1 1 295.358 2.650 50 5 CFBAMO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055543437 373555526 /nfs/dbraw/zinc/55/55/26/373555526.db2.gz PIBSNEKGYCHCSG-UHFFFAOYSA-N 1 1 297.358 2.917 50 5 CFBAMO CC(C)[N@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000058196862 373631965 /nfs/dbraw/zinc/63/19/65/373631965.db2.gz ZXZZDVVNWIKRJO-LLVKDONJSA-N 1 1 281.331 2.876 50 5 CFBAMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000058379242 373652388 /nfs/dbraw/zinc/65/23/88/373652388.db2.gz CEIJRUNJIJNCAB-JTQLQIEISA-N 1 1 292.335 2.692 50 5 CFBAMO COc1ccc([N+](=O)[O-])c(/C=C/[NH+]2CCCC2)c1C ZINC000071785205 374225148 /nfs/dbraw/zinc/22/51/48/374225148.db2.gz HEFOQPPTTXJPDS-JXMROGBWSA-N 1 1 262.309 2.978 50 5 CFBAMO CSC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000075144092 374461749 /nfs/dbraw/zinc/46/17/49/374461749.db2.gz DSBSNKCHNLBVLW-JTQLQIEISA-N 1 1 284.356 2.919 50 5 CFBAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000095407808 375434626 /nfs/dbraw/zinc/43/46/26/375434626.db2.gz MJZGQUBWRHPDCV-CYBMUJFWSA-N 1 1 286.335 2.769 50 5 CFBAMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000097373065 375553529 /nfs/dbraw/zinc/55/35/29/375553529.db2.gz VRYXOJIHTVIJPH-UHFFFAOYSA-N 1 1 297.318 2.531 50 5 CFBAMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096419601 393827229 /nfs/dbraw/zinc/82/72/29/393827229.db2.gz OBBOTOKGIOHAGX-KFWWJZLASA-N 1 1 290.363 2.840 50 5 CFBAMO O=C(C[NH2+]Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000002725712 169822293 /nfs/dbraw/zinc/82/22/93/169822293.db2.gz PJTPPDATHOFIPF-UHFFFAOYSA-N 1 1 270.288 2.567 50 5 CFBAMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000004914174 170040700 /nfs/dbraw/zinc/04/07/00/170040700.db2.gz JDKFPRBSGOJVIC-GFCCVEGCSA-N 1 1 264.325 2.706 50 5 CFBAMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000020474785 171219339 /nfs/dbraw/zinc/21/93/39/171219339.db2.gz HEMABAGTEOBYQQ-LLVKDONJSA-N 1 1 267.304 2.630 50 5 CFBAMO C[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000021319414 171302571 /nfs/dbraw/zinc/30/25/71/171302571.db2.gz BJDLAPBXGMHQKD-NSHDSACASA-N 1 1 274.324 2.634 50 5 CFBAMO C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015261458 274286466 /nfs/dbraw/zinc/28/64/66/274286466.db2.gz QSBIRCWSSNQVFO-LLVKDONJSA-N 1 1 292.335 2.836 50 5 CFBAMO C[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000023990707 372268744 /nfs/dbraw/zinc/26/87/44/372268744.db2.gz LRQLTLRCDVAPPD-NSHDSACASA-N 1 1 274.324 2.634 50 5 CFBAMO CCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004987754 170049667 /nfs/dbraw/zinc/04/96/67/170049667.db2.gz QUUTZNVDWUIYNW-UHFFFAOYSA-N 1 1 282.340 2.844 50 5 CFBAMO CC(C)[N@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000095986634 185056620 /nfs/dbraw/zinc/05/66/20/185056620.db2.gz NNAHMPSCDQCQRN-SNVBAGLBSA-N 1 1 269.370 2.799 50 5 CFBAMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000084380168 374776294 /nfs/dbraw/zinc/77/62/94/374776294.db2.gz TVPJEUUDEFWXJJ-INIZCTEOSA-N 1 1 299.330 2.643 50 5 CFBAMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000084380170 374776805 /nfs/dbraw/zinc/77/68/05/374776805.db2.gz TVPJEUUDEFWXJJ-MRXNPFEDSA-N 1 1 299.330 2.643 50 5 CFBAMO COc1cc(CNc2cccc(C)[nH+]2)c([N+](=O)[O-])cc1O ZINC000089688956 374937081 /nfs/dbraw/zinc/93/70/81/374937081.db2.gz HFCJYAJSSFJZLN-UHFFFAOYSA-N 1 1 289.291 2.625 50 5 CFBAMO Cn1c[nH+]cc1[C@@H]1C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408524107 380939131 /nfs/dbraw/zinc/93/91/31/380939131.db2.gz XVDADFQJZIVJBY-MWLCHTKSSA-N 1 1 292.726 2.950 50 5 CFBAMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096419603 393827051 /nfs/dbraw/zinc/82/70/51/393827051.db2.gz OBBOTOKGIOHAGX-ZNMIVQPWSA-N 1 1 290.363 2.840 50 5 CFBAMO C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000019832295 372191919 /nfs/dbraw/zinc/19/19/19/372191919.db2.gz SLDBHEPECWDJHV-INIZCTEOSA-N 1 1 286.331 2.760 50 5 CFBAMO Cc1ccc(C[N@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000097375356 375553472 /nfs/dbraw/zinc/55/34/72/375553472.db2.gz FHNBVMAXVLOCDP-UHFFFAOYSA-N 1 1 271.320 2.930 50 5 CFBAMO Cc1ccc(C[N@@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000097375356 375553476 /nfs/dbraw/zinc/55/34/76/375553476.db2.gz FHNBVMAXVLOCDP-UHFFFAOYSA-N 1 1 271.320 2.930 50 5 CFBAMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)C1CCCC1 ZINC000222066211 382800819 /nfs/dbraw/zinc/80/08/19/382800819.db2.gz CYJGBXJQDOBCQW-ALCCZGGFSA-N 1 1 290.363 2.845 50 5 CFBAMO O=[N+]([O-])c1ccc(CC[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000253429628 383459299 /nfs/dbraw/zinc/45/92/99/383459299.db2.gz NYFIYSQEGCINQY-UHFFFAOYSA-N 1 1 274.242 2.631 50 5 CFBAMO CC[C@@H]1C[N@@H+](C)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000328596263 287183485 /nfs/dbraw/zinc/18/34/85/287183485.db2.gz ZMMZZTUJRPXBEP-CQSZACIVSA-N 1 1 295.358 2.650 50 5 CFBAMO COC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000079090915 374592312 /nfs/dbraw/zinc/59/23/12/374592312.db2.gz KXGXIFQRFDGBEA-SNVBAGLBSA-N 1 1 270.354 2.515 50 5 CFBAMO COC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000079090915 374592319 /nfs/dbraw/zinc/59/23/19/374592319.db2.gz KXGXIFQRFDGBEA-SNVBAGLBSA-N 1 1 270.354 2.515 50 5 CFBAMO Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000009998287 170394428 /nfs/dbraw/zinc/39/44/28/170394428.db2.gz LGNJLRFYZGEXAV-NSHDSACASA-N 1 1 291.351 2.716 50 5 CFBAMO Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000009998287 170394430 /nfs/dbraw/zinc/39/44/30/170394430.db2.gz LGNJLRFYZGEXAV-NSHDSACASA-N 1 1 291.351 2.716 50 5 CFBAMO C[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])s1 ZINC000023114744 618117491 /nfs/dbraw/zinc/11/74/91/618117491.db2.gz VFXIYENHRZOIPV-UHFFFAOYSA-N 1 1 277.349 2.726 50 5 CFBAMO C[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])s1 ZINC000023114744 618117497 /nfs/dbraw/zinc/11/74/97/618117497.db2.gz VFXIYENHRZOIPV-UHFFFAOYSA-N 1 1 277.349 2.726 50 5 CFBAMO Cc1c(C[N@@H+]2CCCC[C@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000106669752 186131164 /nfs/dbraw/zinc/13/11/64/186131164.db2.gz YSPLHAMHAWNCDT-WFASDCNBSA-N 1 1 278.352 2.639 50 5 CFBAMO COc1ccc(C[N@H+](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000069488332 374068544 /nfs/dbraw/zinc/06/85/44/374068544.db2.gz ZBPDZKCQUNJLNC-UHFFFAOYSA-N 1 1 287.319 2.630 50 5 CFBAMO COc1ccc(C[N@@H+](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000069488332 374068553 /nfs/dbraw/zinc/06/85/53/374068553.db2.gz ZBPDZKCQUNJLNC-UHFFFAOYSA-N 1 1 287.319 2.630 50 5 CFBAMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000095982743 375464277 /nfs/dbraw/zinc/46/42/77/375464277.db2.gz ZMNMDCIIXRQLAK-ZJUUUORDSA-N 1 1 283.759 2.777 50 5 CFBAMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1C ZINC000095982743 375464281 /nfs/dbraw/zinc/46/42/81/375464281.db2.gz ZMNMDCIIXRQLAK-ZJUUUORDSA-N 1 1 283.759 2.777 50 5 CFBAMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000053435183 373476816 /nfs/dbraw/zinc/47/68/16/373476816.db2.gz PLGCIRLBLMXGGX-UHFFFAOYSA-N 1 1 292.335 2.836 50 5 CFBAMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C)cc1[N+](=O)[O-])C2 ZINC000095436068 375448652 /nfs/dbraw/zinc/44/86/52/375448652.db2.gz RBIBXSJURXUSJN-GFCCVEGCSA-N 1 1 286.335 2.835 50 5 CFBAMO C[N@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000253416196 383457000 /nfs/dbraw/zinc/45/70/00/383457000.db2.gz UPHTXTUKGGXASK-LBPRGKRZSA-N 1 1 278.356 2.543 50 5 CFBAMO CCO[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071915712 176299579 /nfs/dbraw/zinc/29/95/79/176299579.db2.gz KLVAXBJDJBLCTA-ZDUSSCGKSA-N 1 1 264.325 2.596 50 5 CFBAMO